Daily Papers

Non-autoregressive translation (NAT) models are typically trained with the cross-entropy loss, which forces the model outputs to be aligned verbatim with the target sentence and will highly penalize small shifts in word positions. Latent alignment models relax the explicit alignment by marginalizing out all monotonic latent alignments with the CTC loss. However, they cannot handle non-monotonic alignments, which is non-negligible as there is typically global word reordering in machine translation. In this work, we explore non-monotonic latent alignments for NAT. We extend the alignment space to non-monotonic alignments to allow for the global word reordering and further consider all alignments that overlap with the target sentence. We non-monotonically match the alignments to the target sentence and train the latent alignment model to maximize the F1 score of non-monotonic matching. Extensive experiments on major WMT benchmarks show that our method substantially improves the translation performance of CTC-based models. Our best model achieves 30.06 BLEU on WMT14 En-De with only one-iteration decoding, closing the gap between non-autoregressive and autoregressive models.

We present a neural encoder-decoder model to convert images into presentational markup based on a scalable coarse-to-fine attention mechanism. Our method is evaluated in the context of image-to-LaTeX generation, and we introduce a new dataset of real-world rendered mathematical expressions paired with LaTeX markup. We show that unlike neural OCR techniques using CTC-based models, attention-based approaches can tackle this non-standard OCR task. Our approach outperforms classical mathematical OCR systems by a large margin on in-domain rendered data, and, with pretraining, also performs well on out-of-domain handwritten data. To reduce the inference complexity associated with the attention-based approaches, we introduce a new coarse-to-fine attention layer that selects a support region before applying attention.

Multilingual Automatic Speech Recognition (ASR) models have extended the usability of speech technologies to a wide variety of languages. With how many languages these models have to handle, however, a key to understanding their imbalanced performance across different languages is to examine if the model actually knows which language it should transcribe. In this paper, we introduce our work on improving performance on FLEURS, a 102-language open ASR benchmark, by conditioning the entire model on language identity (LID). We investigate techniques inspired from recent Connectionist Temporal Classification (CTC) studies to help the model handle the large number of languages, conditioning on the LID predictions of auxiliary tasks. Our experimental results demonstrate the effectiveness of our technique over standard CTC/Attention-based hybrid models. Furthermore, our state-of-the-art systems using self-supervised models with the Conformer architecture improve over the results of prior work on FLEURS by a relative 28.4% CER. Trained models and reproducible recipes are available at https://github.com/espnet/espnet/tree/master/egs2/fleurs/asr1 .

Connectionist temporal classification (CTC)-based scene text recognition (STR) methods, e.g., SVTR, are widely employed in OCR applications, mainly due to their simple architecture, which only contains a visual model and a CTC-aligned linear classifier, and therefore fast inference. However, they generally exhibit worse accuracy than encoder-decoder-based methods (EDTRs) due to struggling with text irregularity and linguistic missing. To address these challenges, we propose SVTRv2, a CTC model endowed with the ability to handle text irregularities and model linguistic context. First, a multi-size resizing strategy is proposed to resize text instances to appropriate predefined sizes, effectively avoiding severe text distortion. Meanwhile, we introduce a feature rearrangement module to ensure that visual features accommodate the requirement of CTC, thus alleviating the alignment puzzle. Second, we propose a semantic guidance module. It integrates linguistic context into the visual features, allowing CTC model to leverage language information for accuracy improvement. This module can be omitted at the inference stage and would not increase the time cost. We extensively evaluate SVTRv2 in both standard and recent challenging benchmarks, where SVTRv2 is fairly compared to popular STR models across multiple scenarios, including different types of text irregularity, languages, long text, and whether employing pretraining. SVTRv2 surpasses most EDTRs across the scenarios in terms of accuracy and inference speed. Code: https://github.com/Topdu/OpenOCR.

We propose Citrinet - a new end-to-end convolutional Connectionist Temporal Classification (CTC) based automatic speech recognition (ASR) model. Citrinet is deep residual neural model which uses 1D time-channel separable convolutions combined with sub-word encoding and squeeze-and-excitation. The resulting architecture significantly reduces the gap between non-autoregressive and sequence-to-sequence and transducer models. We evaluate Citrinet on LibriSpeech, TED-LIUM2, AISHELL-1 and Multilingual LibriSpeech (MLS) English speech datasets. Citrinet accuracy on these datasets is close to the best autoregressive Transducer models.

CTC compressor can be an effective approach to integrate audio encoders to decoder-only models, which has gained growing interest for different speech applications. In this work, we propose a novel CTC compressor based joint speech and text training (CJST) framework for decoder-only ASR. CJST matches speech and text modalities from both directions by exploring a simple modality adaptor and several features of the CTC compressor, including sequence compression, on-the-fly forced peaky alignment and CTC class embeddings. Experimental results on the Librispeech and TED-LIUM2 corpora show that the proposed CJST achieves an effective text injection without the need of duration handling, leading to the best performance for both in-domain and cross-domain scenarios. We also provide a comprehensive study on CTC compressor, covering various compression modes, edge case handling and behavior under both clean and noisy data conditions, which reveals the most robust setting to use CTC compressor for decoder-only models.

Recently, end-to-end models have been widely used in automatic speech recognition (ASR) systems. Two of the most representative approaches are connectionist temporal classification (CTC) and attention-based encoder-decoder (AED) models. Autoregressive transformers, variants of AED, adopt an autoregressive mechanism for token generation and thus are relatively slow during inference. In this paper, we present a comprehensive study of a CTC Alignment-based Single-Step Non-Autoregressive Transformer (CASS-NAT) for end-to-end ASR. In CASS-NAT, word embeddings in the autoregressive transformer (AT) are substituted with token-level acoustic embeddings (TAE) that are extracted from encoder outputs with the acoustical boundary information offered by the CTC alignment. TAE can be obtained in parallel, resulting in a parallel generation of output tokens. During training, Viterbi-alignment is used for TAE generation, and multiple training strategies are further explored to improve the word error rate (WER) performance. During inference, an error-based alignment sampling method is investigated in depth to reduce the alignment mismatch in the training and testing processes. Experimental results show that the CASS-NAT has a WER that is close to AT on various ASR tasks, while providing a ~24x inference speedup. With and without self-supervised learning, we achieve new state-of-the-art results for non-autoregressive models on several datasets. We also analyze the behavior of the CASS-NAT decoder to explain why it can perform similarly to AT. We find that TAEs have similar functionality to word embeddings for grammatical structures, which might indicate the possibility of learning some semantic information from TAEs without a language model.

Connectionist Temporal Classification (CTC) suffers from the latency problem when applied to streaming models. We argue that in CTC lattice, the alignments that can access more future context are preferred during training, thereby leading to higher symbol delay. In this work we propose the delay-penalized CTC which is augmented with latency penalty regularization. We devise a flexible and efficient implementation based on the differentiable Finite State Transducer (FST). Specifically, by attaching a binary attribute to CTC topology, we can locate the frames that firstly emit non-blank tokens on the resulting CTC lattice, and add the frame offsets to the log-probabilities. Experimental results demonstrate the effectiveness of our proposed delay-penalized CTC, which is able to balance the delay-accuracy trade-off. Furthermore, combining the delay-penalized transducer enables the CTC model to achieve better performance and lower latency. Our work is open-sourced and publicly available https://github.com/k2-fsa/k2.

The two most common paradigms for end-to-end speech recognition are connectionist temporal classification (CTC) and attention-based encoder-decoder (AED) models. It has been argued that the latter is better suited for learning an implicit language model. We test this hypothesis by measuring temporal context sensitivity and evaluate how the models perform when we constrain the amount of contextual information in the audio input. We find that the AED model is indeed more context sensitive, but that the gap can be closed by adding self-attention to the CTC model. Furthermore, the two models perform similarly when contextual information is constrained. Finally, in contrast to previous research, our results show that the CTC model is highly competitive on WSJ and LibriSpeech without the help of an external language model.

In contrast to Connectionist Temporal Classification (CTC) approaches, Sequence-To-Sequence (S2S) models for Handwritten Text Recognition (HTR) suffer from errors such as skipped or repeated words which often occur at the end of a sequence. In this paper, to combine the best of both approaches, we propose to use the CTC-Prefix-Score during S2S decoding. Hereby, during beam search, paths that are invalid according to the CTC confidence matrix are penalised. Our network architecture is composed of a Convolutional Neural Network (CNN) as visual backbone, bidirectional Long-Short-Term-Memory-Cells (LSTMs) as encoder, and a decoder which is a Transformer with inserted mutual attention layers. The CTC confidences are computed on the encoder while the Transformer is only used for character-wise S2S decoding. We evaluate this setup on three HTR data sets: IAM, Rimes, and StAZH. On IAM, we achieve a competitive Character Error Rate (CER) of 2.95% when pretraining our model on synthetic data and including a character-based language model for contemporary English. Compared to other state-of-the-art approaches, our model requires about 10-20 times less parameters. Access our shared implementations via this link to GitHub: https://github.com/Planet-AI-GmbH/tfaip-hybrid-ctc-s2s.

Following the rationale of end-to-end modeling, CTC, RNN-T or encoder-decoder-attention models for automatic speech recognition (ASR) use graphemes or grapheme-based subword units based on e.g. byte-pair encoding (BPE). The mapping from pronunciation to spelling is learned completely from data. In contrast to this, classical approaches to ASR employ secondary knowledge sources in the form of phoneme lists to define phonetic output labels and pronunciation lexica. In this work, we do a systematic comparison between grapheme- and phoneme-based output labels for an encoder-decoder-attention ASR model. We investigate the use of single phonemes as well as BPE-based phoneme groups as output labels of our model. To preserve a simplified and efficient decoder design, we also extend the phoneme set by auxiliary units to be able to distinguish homophones. Experiments performed on the Switchboard 300h and LibriSpeech benchmarks show that phoneme-based modeling is competitive to grapheme-based encoder-decoder-attention modeling.

Sequence-to-sequence attention-based models on subword units allow simple open-vocabulary end-to-end speech recognition. In this work, we show that such models can achieve competitive results on the Switchboard 300h and LibriSpeech 1000h tasks. In particular, we report the state-of-the-art word error rates (WER) of 3.54% on the dev-clean and 3.82% on the test-clean evaluation subsets of LibriSpeech. We introduce a new pretraining scheme by starting with a high time reduction factor and lowering it during training, which is crucial both for convergence and final performance. In some experiments, we also use an auxiliary CTC loss function to help the convergence. In addition, we train long short-term memory (LSTM) language models on subword units. By shallow fusion, we report up to 27% relative improvements in WER over the attention baseline without a language model.

In this paper, we propose an efficient and accurate streaming speech recognition model based on the FastConformer architecture. We adapted the FastConformer architecture for streaming applications through: (1) constraining both the look-ahead and past contexts in the encoder, and (2) introducing an activation caching mechanism to enable the non-autoregressive encoder to operate autoregressively during inference. The proposed model is thoughtfully designed in a way to eliminate the accuracy disparity between the train and inference time which is common for many streaming models. Furthermore, our proposed encoder works with various decoder configurations including Connectionist Temporal Classification (CTC) and RNN-Transducer (RNNT) decoders. Additionally, we introduced a hybrid CTC/RNNT architecture which utilizes a shared encoder with both a CTC and RNNT decoder to boost the accuracy and save computation. We evaluate the proposed model on LibriSpeech dataset and a multi-domain large scale dataset and demonstrate that it can achieve better accuracy with lower latency and inference time compared to a conventional buffered streaming model baseline. We also showed that training a model with multiple latencies can achieve better accuracy than single latency models while it enables us to support multiple latencies with a single model. Our experiments also showed the hybrid architecture would not only speedup the convergence of the CTC decoder but also improves the accuracy of streaming models compared to single decoder models.

Non-autoregressive automatic speech recognition (ASR) modeling has received increasing attention recently because of its fast decoding speed and superior performance. Among representatives, methods based on the connectionist temporal classification (CTC) are still a dominating stream. However, the theoretically inherent flaw, the assumption of independence between tokens, creates a performance barrier for the school of works. To mitigate the challenge, we propose a context-aware knowledge transferring strategy, consisting of a knowledge transferring module and a context-aware training strategy, for CTC-based ASR. The former is designed to distill linguistic information from a pre-trained language model, and the latter is framed to modulate the limitations caused by the conditional independence assumption. As a result, a knowledge-injected context-aware CTC-based ASR built upon the wav2vec2.0 is presented in this paper. A series of experiments on the AISHELL-1 and AISHELL-2 datasets demonstrate the effectiveness of the proposed method.

Click-through rate (CTR) prediction is a critical problem in web search, recommendation systems and online advertisement displaying. Learning good feature interactions is essential to reflect user's preferences to items. Many CTR prediction models based on deep learning have been proposed, but researchers usually only pay attention to whether state-of-the-art performance is achieved, and ignore whether the entire framework is reasonable. In this work, we use the discrete choice model in economics to redefine the CTR prediction problem, and propose a general neural network framework built on self-attention mechanism. It is found that most existing CTR prediction models align with our proposed general framework. We also examine the expressive power and model complexity of our proposed framework, along with potential extensions to some existing models. And finally we demonstrate and verify our insights through some experimental results on public datasets.

The emergence of GPT-4o-like large multimodal models (LMMs) has raised the exploration of integrating text, vision, and speech modalities to support more flexible multimodal interaction. Existing LMMs typically concatenate representation of modalities along the sequence dimension and feed them into a large language model (LLM) backbone. While sequence-dimension concatenation is straightforward for modality integration, it often relies heavily on large-scale data to learn modality alignments. In this paper, we aim to model the relationships between modalities more purposefully, thereby achieving more efficient and flexible modality alignments. To this end, we propose Stream-Omni, a large language-vision-speech model with efficient modality alignments, which can simultaneously support interactions under various modality combinations. Stream-Omni employs LLM as the backbone and aligns the vision and speech to the text based on their relationships. For vision that is semantically complementary to text, Stream-Omni uses sequence-dimension concatenation to achieve vision-text alignment. For speech that is semantically consistent with text, Stream-Omni introduces a CTC-based layer-dimension mapping to achieve speech-text alignment. In this way, Stream-Omni can achieve modality alignments with less data (especially speech), enabling the transfer of text capabilities to other modalities. Experiments on various benchmarks demonstrate that Stream-Omni achieves strong performance on visual understanding, speech interaction, and vision-grounded speech interaction tasks. Owing to the layer-dimensional mapping, Stream-Omni can simultaneously provide intermediate text outputs (such as ASR transcriptions and model responses) during speech interaction, offering users a comprehensive multimodal experience.

Large Language Models (LLMs) have been applied in the speech domain, often incurring a performance drop due to misaligned between speech and language representations. To bridge this gap, we propose a joint speech and language model (SLM) using a Speech2Text adapter, which maps speech into text token embedding space without speech information loss. Additionally, using a CTC-based blank-filtering, we can reduce the speech sequence length to that of text. In speech MultiWoz dataset (DSTC11 challenge), SLM largely improves the dialog state tracking (DST) performance (24.7% to 28.4% accuracy). Further to address errors on rare entities, we augment SLM with a Speech2Entity retriever, which uses speech to retrieve relevant entities, and then adds them to the original SLM input as a prefix. With this retrieval-augmented SLM (ReSLM), the DST performance jumps to 34.6% accuracy. Moreover, augmenting the ASR task with the dialog understanding task improves the ASR performance from 9.4% to 8.5% WER.

In this work, we present a hybrid CTC/Attention model based on a ResNet-18 and Convolution-augmented transformer (Conformer), that can be trained in an end-to-end manner. In particular, the audio and visual encoders learn to extract features directly from raw pixels and audio waveforms, respectively, which are then fed to conformers and then fusion takes place via a Multi-Layer Perceptron (MLP). The model learns to recognise characters using a combination of CTC and an attention mechanism. We show that end-to-end training, instead of using pre-computed visual features which is common in the literature, the use of a conformer, instead of a recurrent network, and the use of a transformer-based language model, significantly improve the performance of our model. We present results on the largest publicly available datasets for sentence-level speech recognition, Lip Reading Sentences 2 (LRS2) and Lip Reading Sentences 3 (LRS3), respectively. The results show that our proposed models raise the state-of-the-art performance by a large margin in audio-only, visual-only, and audio-visual experiments.

Consistency Models (CM) (Song et al., 2023) accelerate score-based diffusion model sampling at the cost of sample quality but lack a natural way to trade-off quality for speed. To address this limitation, we propose Consistency Trajectory Model (CTM), a generalization encompassing CM and score-based models as special cases. CTM trains a single neural network that can -- in a single forward pass -- output scores (i.e., gradients of log-density) and enables unrestricted traversal between any initial and final time along the Probability Flow Ordinary Differential Equation (ODE) in a diffusion process. CTM enables the efficient combination of adversarial training and denoising score matching loss to enhance performance and achieves new state-of-the-art FIDs for single-step diffusion model sampling on CIFAR-10 (FID 1.73) and ImageNet at 64x64 resolution (FID 1.92). CTM also enables a new family of sampling schemes, both deterministic and stochastic, involving long jumps along the ODE solution trajectories. It consistently improves sample quality as computational budgets increase, avoiding the degradation seen in CM. Furthermore, unlike CM, CTM's access to the score function can streamline the adoption of established controllable/conditional generation methods from the diffusion community. This access also enables the computation of likelihood. The code is available at https://github.com/sony/ctm.

There has been an increasing interest in large speech models that can perform multiple speech processing tasks in a single model. Such models usually adopt the encoder-decoder or decoder-only architecture due to their popularity and good performance in many domains. However, autoregressive models can be slower during inference compared to non-autoregressive models and also have potential risks of hallucination. Though prior studies observed promising results of non-autoregressive models for certain tasks at small scales, it remains unclear if they can be scaled to speech-to-text generation in diverse languages and tasks. Inspired by the Open Whisper-style Speech Model (OWSM) project, we propose OWSM-CTC, a novel encoder-only speech foundation model based on Connectionist Temporal Classification (CTC). It is trained on 180k hours of public audio data for multilingual automatic speech recognition (ASR), speech translation (ST), and language identification (LID). Compared to encoder-decoder OWSM, our OWSM-CTC achieves competitive results on ASR and up to 25% relative improvement on ST, while it is more robust and 3 to 4 times faster for inference. OWSM-CTC also improves the long-form ASR result with 20x speed-up. We will publicly release our codebase, pre-trained model, and training logs to promote open science in speech foundation models.

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

CTR models play a vital role in improving user experience and boosting business revenue in many online personalized services. However, current CTR models generally encounter bottlenecks in performance improvement. Inspired by the scaling law phenomenon of LLMs, we propose a new paradigm for improving CTR predictions: first, constructing a CTR model with accuracy scalable to the model grade and data size, and then distilling the knowledge implied in this model into its lightweight model that can serve online users. To put it into practice, we construct a CTR model named SUAN (Stacked Unified Attention Network). In SUAN, we propose the UAB as a behavior sequence encoder. A single UAB unifies the modeling of the sequential and non-sequential features and also measures the importance of each user behavior feature from multiple perspectives. Stacked UABs elevate the configuration to a high grade, paving the way for performance improvement. In order to benefit from the high performance of the high-grade SUAN and avoid the disadvantage of its long inference time, we modify the SUAN with sparse self-attention and parallel inference strategies to form LightSUAN, and then adopt online distillation to train the low-grade LightSUAN, taking a high-grade SUAN as a teacher. The distilled LightSUAN has superior performance but the same inference time as the LightSUAN, making it well-suited for online deployment. Experimental results show that SUAN performs exceptionally well and holds the scaling laws spanning three orders of magnitude in model grade and data size, and the distilled LightSUAN outperforms the SUAN configured with one grade higher. More importantly, the distilled LightSUAN has been integrated into an online service, increasing the CTR by 2.81% and CPM by 1.69% while keeping the average inference time acceptable. Our source code is available at https://github.com/laiweijiang/SUAN.

Deep Click-Through Rate (CTR) prediction models play an important role in modern industrial recommendation scenarios. However, high memory overhead and computational costs limit their deployment in resource-constrained environments. Low-rank approximation is an effective method for computer vision and natural language processing models, but its application in compressing CTR prediction models has been less explored. Due to the limited memory and computing resources, compression of CTR prediction models often confronts three fundamental challenges, i.e., (1). How to reduce the model sizes to adapt to edge devices? (2). How to speed up CTR prediction model inference? (3). How to retain the capabilities of original models after compression? Previous low-rank compression research mostly uses tensor decomposition, which can achieve a high parameter compression ratio, but brings in AUC degradation and additional computing overhead. To address these challenges, we propose a unified low-rank decomposition framework for compressing CTR prediction models. We find that even with the most classic matrix decomposition SVD method, our framework can achieve better performance than the original model. To further improve the effectiveness of our framework, we locally compress the output features instead of compressing the model weights. Our unified low-rank compression framework can be applied to embedding tables and MLP layers in various CTR prediction models. Extensive experiments on two academic datasets and one real industrial benchmark demonstrate that, with 3-5x model size reduction, our compressed models can achieve both faster inference and higher AUC than the uncompressed original models. Our code is at https://github.com/yuhao318/Atomic_Feature_Mimicking.

The peaky behavior of CTC models is well known experimentally. However, an understanding about why peaky behavior occurs is missing, and whether this is a good property. We provide a formal analysis of the peaky behavior and gradient descent convergence properties of the CTC loss and related training criteria. Our analysis provides a deep understanding why peaky behavior occurs and when it is suboptimal. On a simple example which should be trivial to learn for any model, we prove that a feed-forward neural network trained with CTC from uniform initialization converges towards peaky behavior with a 100% error rate. Our analysis further explains why CTC only works well together with the blank label. We further demonstrate that peaky behavior does not occur on other related losses including a label prior model, and that this improves convergence.

Diffusion Models (DM) and Consistency Models (CM) are two types of popular generative models with good generation quality on various tasks. When training DM and CM, intermediate weight checkpoints are not fully utilized and only the last converged checkpoint is used. In this work, we find that high-quality model weights often lie in a basin which cannot be reached by SGD but can be obtained by proper checkpoint averaging. Based on these observations, we propose LCSC, a simple but effective and efficient method to enhance the performance of DM and CM, by combining checkpoints along the training trajectory with coefficients deduced from evolutionary search. We demonstrate the value of LCSC through two use cases: (a) Reducing training cost. With LCSC, we only need to train DM/CM with fewer number of iterations and/or lower batch sizes to obtain comparable sample quality with the fully trained model. For example, LCSC achieves considerable training speedups for CM (23times on CIFAR-10 and 15times on ImageNet-64). (b) Enhancing pre-trained models. Assuming full training is already done, LCSC can further improve the generation quality or speed of the final converged models. For example, LCSC achieves better performance using 1 number of function evaluation (NFE) than the base model with 2 NFE on consistency distillation, and decreases the NFE of DM from 15 to 9 while maintaining the generation quality on CIFAR-10. Our code is available at https://github.com/imagination-research/LCSC.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

Accurate and contrast-free Major Adverse Cardiac Events (MACE) prediction from Cine MRI sequences remains a critical challenge. Existing methods typically necessitate supervised learning based on human-refined masks in the ventricular myocardium, which become impractical without contrast agents. We introduce a self-supervised framework, namely Codebook-based Temporal-Spatial Learning (CTSL), that learns dynamic, spatiotemporal representations from raw Cine data without requiring segmentation masks. CTSL decouples temporal and spatial features through a multi-view distillation strategy, where the teacher model processes multiple Cine views, and the student model learns from reduced-dimensional Cine-SA sequences. By leveraging codebook-based feature representations and dynamic lesion self-detection through motion cues, CTSL captures intricate temporal dependencies and motion patterns. High-confidence MACE risk predictions are achieved through our model, providing a rapid, non-invasive solution for cardiac risk assessment that outperforms traditional contrast-dependent methods, thereby enabling timely and accessible heart disease diagnosis in clinical settings.

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

In this paper, we propose a novel learning paradigm, termed Chain-of-Model (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style, thereby introducing great scaling efficiency in model training and inference flexibility in deployment. We introduce the concept of Chain-of-Representation (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains) at the hidden dimension level. In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise Chain-of-Language-Model (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a KV sharing mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models. Our code will be released in the future at: https://github.com/microsoft/CoLM.

Multimodal click-through rate (CTR) prediction is a key technique in industrial recommender systems. It leverages heterogeneous modalities such as text, images, and behavioral logs to capture high-order feature interactions between users and items, thereby enhancing the system's understanding of user interests and its ability to predict click behavior. The primary challenge in this field lies in effectively utilizing the rich semantic information from multiple modalities while satisfying the low-latency requirements of online inference in real-world applications. To foster progress in this area, the Multimodal CTR Prediction Challenge Track of the WWW 2025 EReL@MIR Workshop formulates the problem into two tasks: (1) Task 1 of Multimodal Item Embedding: this task aims to explore multimodal information extraction and item representation learning methods that enhance recommendation tasks; and (2) Task 2 of Multimodal CTR Prediction: this task aims to explore what multimodal recommendation model can effectively leverage multimodal embedding features and achieve better performance. In this paper, we propose a novel model for Task 2, named Quadratic Interest Network (QIN) for Multimodal CTR Prediction. Specifically, QIN employs adaptive sparse target attention to extract multimodal user behavior features, and leverages Quadratic Neural Networks to capture high-order feature interactions. As a result, QIN achieved an AUC of 0.9798 on the leaderboard and ranked second in the competition. The model code, training logs, hyperparameter configurations, and checkpoints are available at https://github.com/salmon1802/QIN.

How does the internal computation of a machine learning model transform inputs into predictions? In this paper, we introduce a task called component modeling that aims to address this question. The goal of component modeling is to decompose an ML model's prediction in terms of its components -- simple functions (e.g., convolution filters, attention heads) that are the "building blocks" of model computation. We focus on a special case of this task, component attribution, where the goal is to estimate the counterfactual impact of individual components on a given prediction. We then present COAR, a scalable algorithm for estimating component attributions; we demonstrate its effectiveness across models, datasets, and modalities. Finally, we show that component attributions estimated with COAR directly enable model editing across five tasks, namely: fixing model errors, ``forgetting'' specific classes, boosting subpopulation robustness, localizing backdoor attacks, and improving robustness to typographic attacks. We provide code for COAR at https://github.com/MadryLab/modelcomponents .

Recurrent neural network (RNN) and connectionist temporal classification (CTC) have showed successes in many sequence labeling tasks with the strong ability of dealing with the problems where the alignment between the inputs and the target labels is unknown. Residual network is a new structure of convolutional neural network and works well in various computer vision tasks. In this paper, we take advantage of the architectures mentioned above to create a new network for handwritten digit string recognition. First we design a residual network to extract features from input images, then we employ a RNN to model the contextual information within feature sequences and predict recognition results. At the top of this network, a standard CTC is applied to calculate the loss and yield the final results. These three parts compose an end-to-end trainable network. The proposed new architecture achieves the highest performances on ORAND-CAR-A and ORAND-CAR-B with recognition rates 89.75% and 91.14%, respectively. In addition, the experiments on a generated captcha dataset which has much longer string length show the potential of the proposed network to handle long strings.

Click-Through Rate prediction is an important task in recommender systems, which aims to estimate the probability of a user to click on a given item. Recently, many deep models have been proposed to learn low-order and high-order feature interactions from original features. However, since useful interactions are always sparse, it is difficult for DNN to learn them effectively under a large number of parameters. In real scenarios, artificial features are able to improve the performance of deep models (such as Wide & Deep Learning), but feature engineering is expensive and requires domain knowledge, making it impractical in different scenarios. Therefore, it is necessary to augment feature space automatically. In this paper, We propose a novel Feature Generation by Convolutional Neural Network (FGCNN) model with two components: Feature Generation and Deep Classifier. Feature Generation leverages the strength of CNN to generate local patterns and recombine them to generate new features. Deep Classifier adopts the structure of IPNN to learn interactions from the augmented feature space. Experimental results on three large-scale datasets show that FGCNN significantly outperforms nine state-of-the-art models. Moreover, when applying some state-of-the-art models as Deep Classifier, better performance is always achieved, showing the great compatibility of our FGCNN model. This work explores a novel direction for CTR predictions: it is quite useful to reduce the learning difficulties of DNN by automatically identifying important features.

Knowledge Distillation (KD) compresses computationally expensive pre-trained language models (PLMs) by transferring their knowledge to smaller models, allowing their use in resource-constrained or real-time settings. However, most smaller models fail to surpass the performance of the original larger model, resulting in sacrificing performance to improve inference speed. To address this issue, we propose Co-Training and Co-Distillation (CTCD), a novel framework that improves performance and inference speed together by co-training two models while mutually distilling knowledge. The CTCD framework successfully achieves this based on two significant findings: 1) Distilling knowledge from the smaller model to the larger model during co-training improves the performance of the larger model. 2) The enhanced performance of the larger model further boosts the performance of the smaller model. The CTCD framework shows promise as it can be combined with existing techniques like architecture design or data augmentation, replacing one-way KD methods, to achieve further performance improvement. Extensive ablation studies demonstrate the effectiveness of CTCD, and the small model distilled by CTCD outperforms the original larger model by a significant margin of 1.66 on the GLUE benchmark.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we demonstrate that comparable ICL capabilities can be acquired by an alternative sequence prediction learning method using clone-structured causal graphs (CSCGs). Moreover, a key property of CSCGs is that, unlike transformer-based LLMs, they are {\em interpretable}, which considerably simplifies the task of explaining how ICL works. Specifically, we show that it uses a combination of (a) learning template (schema) circuits for pattern completion, (b) retrieving relevant templates in a context-sensitive manner, and (c) rebinding of novel tokens to appropriate slots in the templates. We go on to marshall evidence for the hypothesis that similar mechanisms underlie ICL in LLMs. For example, we find that, with CSCGs as with LLMs, different capabilities emerge at different levels of overparameterization, suggesting that overparameterization helps in learning more complex template (schema) circuits. By showing how ICL can be achieved with small models and datasets, we open up a path to novel architectures, and take a vital step towards a more general understanding of the mechanics behind this important capability.

Conformal prediction offers a powerful framework for building distribution-free prediction intervals for exchangeable data. Existing methods that extend conformal prediction to sequential data rely on fitting a relatively complex model to capture temporal dependencies. However, these methods can fail if the sample size is small and often require expensive retraining when the underlying data distribution changes. To overcome these limitations, we propose Reservoir Conformal Prediction (ResCP), a novel training-free conformal prediction method for time series. Our approach leverages the efficiency and representation learning capabilities of reservoir computing to dynamically reweight conformity scores. In particular, we compute similarity scores among reservoir states and use them to adaptively reweight the observed residuals at each step. With this approach, ResCP enables us to account for local temporal dynamics when modeling the error distribution without compromising computational scalability. We prove that, under reasonable assumptions, ResCP achieves asymptotic conditional coverage, and we empirically demonstrate its effectiveness across diverse forecasting tasks.

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that represent tabular time series that can optionally leverage their hierarchical structure. This results in two architectures for tabular time series: one for learning representations that is analogous to BERT and can be pre-trained end-to-end and used in downstream tasks, and one that is akin to GPT and can be used for generation of realistic synthetic tabular sequences. We demonstrate our models on two datasets: a synthetic credit card transaction dataset, where the learned representations are used for fraud detection and synthetic data generation, and on a real pollution dataset, where the learned encodings are used to predict atmospheric pollutant concentrations. Code and data are available at https://github.com/IBM/TabFormer.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

As Large Language Models (LLMs) are deployed more widely, customization with respect to vocabulary, style and character becomes more important. In this work we introduce model arithmetic, a novel inference framework for composing and biasing LLMs without the need for model (re)training or highly specific datasets. In addition, the framework allows for more precise control of generated text than direct prompting and prior controlled text generation (CTG) techniques. Using model arithmetic, we can express prior CTG techniques as simple formulas and naturally extend them to new and more effective formulations. Further, we show that speculative sampling, a technique for efficient LLM sampling, extends to our setting. This enables highly efficient text generation with multiple composed models with only marginal overhead over a single model. Our empirical evaluation demonstrates that model arithmetic allows fine-grained control of generated text while outperforming state-of-the-art on the task of toxicity reduction.

Conformal prediction has shown spurring performance in constructing statistically rigorous prediction sets for arbitrary black-box machine learning models, assuming the data is exchangeable. However, even small adversarial perturbations during the inference can violate the exchangeability assumption, challenge the coverage guarantees, and result in a subsequent decline in empirical coverage. In this work, we propose a certifiably robust learning-reasoning conformal prediction framework (COLEP) via probabilistic circuits, which comprise a data-driven learning component that trains statistical models to learn different semantic concepts, and a reasoning component that encodes knowledge and characterizes the relationships among the trained models for logic reasoning. To achieve exact and efficient reasoning, we employ probabilistic circuits (PCs) within the reasoning component. Theoretically, we provide end-to-end certification of prediction coverage for COLEP in the presence of bounded adversarial perturbations. We also provide certified coverage considering the finite size of the calibration set. Furthermore, we prove that COLEP achieves higher prediction coverage and accuracy over a single model as long as the utilities of knowledge models are non-trivial. Empirically, we show the validity and tightness of our certified coverage, demonstrating the robust conformal prediction of COLEP on various datasets, including GTSRB, CIFAR10, and AwA2. We show that COLEP achieves up to 12% improvement in certified coverage on GTSRB, 9% on CIFAR-10, and 14% on AwA2.

Generative modeling has experienced substantial progress in recent years, particularly in text-to-image and text-to-video synthesis. However, the medical field has not yet fully exploited the potential of large-scale foundational models for synthetic data generation. In this paper, we introduce GenerateCT, the first method for text-conditional computed tomography (CT) generation, addressing the limitations in 3D medical imaging research and making our entire framework open-source. GenerateCT consists of a pre-trained large language model, a transformer-based text-conditional 3D chest CT generation architecture, and a text-conditional spatial super-resolution diffusion model. We also propose CT-ViT, which efficiently compresses CT volumes while preserving auto-regressiveness in-depth, enabling the generation of 3D CT volumes with variable numbers of axial slices. Our experiments demonstrate that GenerateCT can produce realistic, high-resolution, and high-fidelity 3D chest CT volumes consistent with medical language text prompts. We further investigate the potential of GenerateCT by training a model using generated CT volumes for multi-abnormality classification of chest CT volumes. Our contributions provide a valuable foundation for future research in text-conditional 3D medical image generation and have the potential to accelerate advancements in medical imaging research. Our code, pre-trained models, and generated data are available at https://github.com/ibrahimethemhamamci/GenerateCT.

As an important modeling paradigm in click-through rate (CTR) prediction, the Deep & Cross Network (DCN) and its derivative models have gained widespread recognition primarily due to their success in a trade-off between computational cost and performance. This paradigm employs a cross network to explicitly model feature interactions with linear growth, while leveraging deep neural networks (DNN) to implicitly capture higher-order feature interactions. However, these models still face several key limitations: (1) The performance of existing explicit feature interaction methods lags behind that of implicit DNN, resulting in overall model performance being dominated by the DNN; (2) While these models claim to capture high-order feature interactions, they often overlook potential noise within these interactions; (3) The learning process for different interaction network branches lacks appropriate supervision signals; and (4) The high-order feature interactions captured by these models are often implicit and non-interpretable due to their reliance on DNN. To address the identified limitations, this paper proposes a novel model, called Fusing Cross Network (FCN), along with two sub-networks: Linear Cross Network (LCN) and Exponential Cross Network (ECN). FCN explicitly captures feature interactions with both linear and exponential growth, eliminating the need to rely on implicit DNN. Moreover, we introduce the Self-Mask operation to filter noise layer by layer and reduce the number of parameters in the cross network by half. To effectively train these two cross networks, we propose a simple yet effective loss function called Tri-BCE, which provides tailored supervision signals for each network. We evaluate the effectiveness, efficiency, and interpretability of FCN on six benchmark datasets. Furthermore, by integrating LCN and ECN, FCN achieves a new state-of-the-art performance.

Biological brains demonstrate complex neural activity, where the timing and interplay between neurons is critical to how brains process information. Most deep learning architectures simplify neural activity by abstracting away temporal dynamics. In this paper we challenge that paradigm. By incorporating neuron-level processing and synchronization, we can effectively reintroduce neural timing as a foundational element. We present the Continuous Thought Machine (CTM), a model designed to leverage neural dynamics as its core representation. The CTM has two core innovations: (1) neuron-level temporal processing, where each neuron uses unique weight parameters to process a history of incoming signals; and (2) neural synchronization employed as a latent representation. The CTM aims to strike a balance between oversimplified neuron abstractions that improve computational efficiency, and biological realism. It operates at a level of abstraction that effectively captures essential temporal dynamics while remaining computationally tractable for deep learning. We demonstrate the CTM's strong performance and versatility across a range of challenging tasks, including ImageNet-1K classification, solving 2D mazes, sorting, parity computation, question-answering, and RL tasks. Beyond displaying rich internal representations and offering a natural avenue for interpretation owing to its internal process, the CTM is able to perform tasks that require complex sequential reasoning. The CTM can also leverage adaptive compute, where it can stop earlier for simpler tasks, or keep computing when faced with more challenging instances. The goal of this work is to share the CTM and its associated innovations, rather than pushing for new state-of-the-art results. To that end, we believe the CTM represents a significant step toward developing more biologically plausible and powerful artificial intelligence systems.

Learning embedding table plays a fundamental role in Click-through rate(CTR) prediction from the view of the model performance and memory usage. The embedding table is a two-dimensional tensor, with its axes indicating the number of feature values and the embedding dimension, respectively. To learn an efficient and effective embedding table, recent works either assign various embedding dimensions for feature fields and reduce the number of embeddings respectively or mask the embedding table parameters. However, all these existing works cannot get an optimal embedding table. On the one hand, various embedding dimensions still require a large amount of memory due to the vast number of features in the dataset. On the other hand, decreasing the number of embeddings usually suffers from performance degradation, which is intolerable in CTR prediction. Finally, pruning embedding parameters will lead to a sparse embedding table, which is hard to be deployed. To this end, we propose an optimal embedding table learning framework OptEmbed, which provides a practical and general method to find an optimal embedding table for various base CTR models. Specifically, we propose pruning the redundant embeddings regarding corresponding features' importance by learnable pruning thresholds. Furthermore, we consider assigning various embedding dimensions as one single candidate architecture. To efficiently search the optimal embedding dimensions, we design a uniform embedding dimension sampling scheme to equally train all candidate architectures, meaning architecture-related parameters and learnable thresholds are trained simultaneously in one supernet. We then propose an evolution search method based on the supernet to find the optimal embedding dimensions for each field. Experiments on public datasets show that OptEmbed can learn a compact embedding table which can further improve the model performance.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

Continual Test-Time Adaptation (CTTA) aims to adapt a pretrained model to ever-changing environments during the test time under continuous domain shifts. Most existing CTTA approaches are based on the Mean Teacher (MT) structure, which contains a student and a teacher model, where the student is updated using the pseudo-labels from the teacher model, and the teacher is then updated by exponential moving average strategy. However, these methods update the MT model indiscriminately on all parameters of the model. That is, some critical parameters involving sharing knowledge across different domains may be erased, intensifying error accumulation and catastrophic forgetting. In this paper, we introduce Parameter-Selective Mean Teacher (PSMT) method, which is capable of effectively updating the critical parameters within the MT network under domain shifts. First, we introduce a selective distillation mechanism in the student model, which utilizes past knowledge to regularize novel knowledge, thereby mitigating the impact of error accumulation. Second, to avoid catastrophic forgetting, in the teacher model, we create a mask through Fisher information to selectively update parameters via exponential moving average, with preservation measures applied to crucial parameters. Extensive experimental results verify that PSMT outperforms state-of-the-art methods across multiple benchmark datasets. Our code is available at https://github.com/JiaxuTian/PSMT.

Rich user behavior data has been proven to be of great value for Click-Through Rate (CTR) prediction applications, especially in industrial recommender, search, or advertising systems. However, it's non-trivial for real-world systems to make full use of long-term user behaviors due to the strict requirements of online serving time. Most previous works adopt the retrieval-based strategy, where a small number of user behaviors are retrieved first for subsequent attention. However, the retrieval-based methods are sub-optimal and would cause more or less information losses, and it's difficult to balance the effectiveness and efficiency of the retrieval algorithm. In this paper, we propose SDIM (Sampling-based Deep Interest Modeling), a simple yet effective sampling-based end-to-end approach for modeling long-term user behaviors. We sample from multiple hash functions to generate hash signatures of the candidate item and each item in the user behavior sequence, and obtain the user interest by directly gathering behavior items associated with the candidate item with the same hash signature. We show theoretically and experimentally that the proposed method performs on par with standard attention-based models on modeling long-term user behaviors, while being sizable times faster. We also introduce the deployment of SDIM in our system. Specifically, we decouple the behavior sequence hashing, which is the most time-consuming part, from the CTR model by designing a separate module named BSE (behavior Sequence Encoding). BSE is latency-free for the CTR server, enabling us to model extremely long user behaviors. Both offline and online experiments are conducted to demonstrate the effectiveness of SDIM. SDIM now has been deployed online in the search system of Meituan APP.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.

Click-through rate (CTR) prediction becomes indispensable in ubiquitous web recommendation applications. Nevertheless, the current methods are struggling under the cold-start scenarios where the user interactions are extremely sparse. We consider this problem as an automatic identification about whether the user behaviors are rich enough to capture the interests for prediction, and propose an Auto-Quantized Contrastive Learning (AQCL) loss to regularize the model. Different from previous methods, AQCL explores both the instance-instance and the instance-cluster similarity to robustify the latent representation, and automatically reduces the information loss to the active users due to the quantization. The proposed framework is agnostic to different model architectures and can be trained in an end-to-end fashion. Extensive results show that it consistently improves the current state-of-the-art CTR models.

Explainability methods for NLP systems encounter a version of the fundamental problem of causal inference: for a given ground-truth input text, we never truly observe the counterfactual texts necessary for isolating the causal effects of model representations on outputs. In response, many explainability methods make no use of counterfactual texts, assuming they will be unavailable. In this paper, we show that robust causal explainability methods can be created using approximate counterfactuals, which can be written by humans to approximate a specific counterfactual or simply sampled using metadata-guided heuristics. The core of our proposal is the Causal Proxy Model (CPM). A CPM explains a black-box model N because it is trained to have the same actual input/output behavior as N while creating neural representations that can be intervened upon to simulate the counterfactual input/output behavior of N. Furthermore, we show that the best CPM for N performs comparably to N in making factual predictions, which means that the CPM can simply replace N, leading to more explainable deployed models. Our code is available at https://github.com/frankaging/Causal-Proxy-Model.

Large models have achieved remarkable performance across various tasks, yet they incur significant computational costs and privacy concerns during both training and inference. Distributed deployment has emerged as a potential solution, but it necessitates the exchange of intermediate information between model segments, with feature representations serving as crucial information carriers. To optimize information exchange, feature coding methods are applied to reduce transmission and storage overhead. Despite its importance, feature coding for large models remains an under-explored area. In this paper, we draw attention to large model feature coding and make three contributions to this field. First, we introduce a comprehensive dataset encompassing diverse features generated by three representative types of large models. Second, we establish unified test conditions, enabling standardized evaluation pipelines and fair comparisons across future feature coding studies. Third, we introduce two baseline methods derived from widely used image coding techniques and benchmark their performance on the proposed dataset. These contributions aim to advance the field of feature coding, facilitating more efficient large model deployment. All source code and the dataset are now available at https://github.com/chansongoal/FCM-LM/tree/master{https://github.com/chansongoal/FCM-LM/tree/master}.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

Large Language Models (LLMs) represent a significant stride toward Artificial General Intelligence. As scaling laws underscore the potential of increasing model sizes, the academic community has intensified its investigations into LLMs with capacities exceeding 50 billion parameters. This technical report builds on our prior work with Tele-FLM (also known as FLM-2), a publicly available 52-billion-parameter model. We delve into two primary areas: we first discuss our observation of Supervised Fine-tuning (SFT) on Tele-FLM-52B, which supports the "less is more" approach for SFT data construction; second, we demonstrate our experiments and analyses on the best practices for progressively growing a model from 52 billion to 102 billion, and subsequently to 1 trillion parameters. We will open-source a 1T model checkpoint, namely Tele-FLM-1T, to advance further training and research.

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

Deploying models on target domain data subject to distribution shift requires adaptation. Test-time training (TTT) emerges as a solution to this adaptation under a realistic scenario where access to full source domain data is not available and instant inference on target domain is required. Despite many efforts into TTT, there is a confusion over the experimental settings, thus leading to unfair comparisons. In this work, we first revisit TTT assumptions and categorize TTT protocols by two key factors. Among the multiple protocols, we adopt a realistic sequential test-time training (sTTT) protocol, under which we further develop a test-time anchored clustering (TTAC) approach to enable stronger test-time feature learning. TTAC discovers clusters in both source and target domain and match the target clusters to the source ones to improve generalization. Pseudo label filtering and iterative updating are developed to improve the effectiveness and efficiency of anchored clustering. We demonstrate that under all TTT protocols TTAC consistently outperforms the state-of-the-art methods on six TTT datasets. We hope this work will provide a fair benchmarking of TTT methods and future research should be compared within respective protocols. A demo code is available at https://github.com/Gorilla-Lab-SCUT/TTAC.

We study the design of loss functions for click-through rates (CTR) to optimize (social) welfare in advertising auctions. Existing works either only focus on CTR predictions without consideration of business objectives (e.g., welfare) in auctions or assume that the distribution over the participants' expected cost-per-impression (eCPM) is known a priori, then use various additional assumptions on the parametric form of the distribution to derive loss functions for predicting CTRs. In this work, we bring back the welfare objectives of ad auctions into CTR predictions and propose a novel weighted rankloss to train the CTR model. Compared to existing literature, our approach provides a provable guarantee on welfare but without assumptions on the eCPMs' distribution while also avoiding the intractability of naively applying existing learning-to-rank methods. Further, we propose a theoretically justifiable technique for calibrating the losses using labels generated from a teacher network, only assuming that the teacher network has bounded ell_2 generalization error. Finally, we demonstrate the advantages of the proposed loss on synthetic and real-world data.

Large language models (LLMs) have achieved remarkable success on various aspects of human life. However, one of the major challenges in deploying these models is the substantial memory consumption required to store key-value pairs (KV), which imposes significant resource demands. Recent research has focused on KV cache budget allocation, with several approaches proposing head-level budget distribution by evaluating the importance of individual attention heads. These methods, however, assess the importance of heads independently, overlooking their cooperative contributions within the model, which may result in a deviation from their true impact on model performance. In light of this limitation, we propose CoKV, a novel method that models the cooperation between heads in model inference as a cooperative game. By evaluating the contribution of each head within the cooperative game, CoKV can allocate the cache budget more effectively. Extensive experiments show that CoKV achieves state-of-the-art performance on the LongBench benchmark using LLama-3-8B-Instruct and Mistral-7B models.

We propose a new end-to-end neural acoustic model for automatic speech recognition. The model is composed of multiple blocks with residual connections between them. Each block consists of one or more modules with 1D time-channel separable convolutional layers, batch normalization, and ReLU layers. It is trained with CTC loss. The proposed network achieves near state-of-the-art accuracy on LibriSpeech and Wall Street Journal, while having fewer parameters than all competing models. We also demonstrate that this model can be effectively fine-tuned on new datasets.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

Test-Time Scaling (TTS) refers to approaches that improve reasoning performance by allocating extra computation during inference, without altering the model's parameters. While existing TTS methods operate in a discrete token space by generating more intermediate steps, recent studies in Coconut and SoftCoT have demonstrated that thinking in the continuous latent space can further enhance the reasoning performance. Such latent thoughts encode informative thinking without the information loss associated with autoregressive token generation, sparking increased interest in continuous-space reasoning. Unlike discrete decoding, where repeated sampling enables exploring diverse reasoning paths, latent representations in continuous space are fixed for a given input, which limits diverse exploration, as all decoded paths originate from the same latent thought. To overcome this limitation, we introduce SoftCoT++ to extend SoftCoT to the Test-Time Scaling paradigm by enabling diverse exploration of thinking paths. Specifically, we perturb latent thoughts via multiple specialized initial tokens and apply contrastive learning to promote diversity among soft thought representations. Experiments across five reasoning benchmarks and two distinct LLM architectures demonstrate that SoftCoT++ significantly boosts SoftCoT and also outperforms SoftCoT with self-consistency scaling. Moreover, it shows strong compatibility with conventional scaling techniques such as self-consistency. Source code is available at https://github.com/xuyige/SoftCoT.

Conformal prediction is a theoretically grounded framework for constructing predictive intervals. We study conformal prediction with missing values in the covariates -- a setting that brings new challenges to uncertainty quantification. We first show that the marginal coverage guarantee of conformal prediction holds on imputed data for any missingness distribution and almost all imputation functions. However, we emphasize that the average coverage varies depending on the pattern of missing values: conformal methods tend to construct prediction intervals that under-cover the response conditionally to some missing patterns. This motivates our novel generalized conformalized quantile regression framework, missing data augmentation, which yields prediction intervals that are valid conditionally to the patterns of missing values, despite their exponential number. We then show that a universally consistent quantile regression algorithm trained on the imputed data is Bayes optimal for the pinball risk, thus achieving valid coverage conditionally to any given data point. Moreover, we examine the case of a linear model, which demonstrates the importance of our proposal in overcoming the heteroskedasticity induced by missing values. Using synthetic and data from critical care, we corroborate our theory and report improved performance of our methods.

Recently, large-scale diffusion models have made impressive progress in text-to-image (T2I) generation. To further equip these T2I models with fine-grained spatial control, approaches like ControlNet introduce an extra network that learns to follow a condition image. However, for every single condition type, ControlNet requires independent training on millions of data pairs with hundreds of GPU hours, which is quite expensive and makes it challenging for ordinary users to explore and develop new types of conditions. To address this problem, we propose the CtrLoRA framework, which trains a Base ControlNet to learn the common knowledge of image-to-image generation from multiple base conditions, along with condition-specific LoRAs to capture distinct characteristics of each condition. Utilizing our pretrained Base ControlNet, users can easily adapt it to new conditions, requiring as few as 1,000 data pairs and less than one hour of single-GPU training to obtain satisfactory results in most scenarios. Moreover, our CtrLoRA reduces the learnable parameters by 90% compared to ControlNet, significantly lowering the threshold to distribute and deploy the model weights. Extensive experiments on various types of conditions demonstrate the efficiency and effectiveness of our method. Codes and model weights will be released at https://github.com/xyfJASON/ctrlora.

Toeplitz Neural Networks (TNNs) have exhibited outstanding performance in various sequence modeling tasks. They outperform commonly used Transformer-based models while benefiting from log-linear space-time complexities. On the other hand, State Space Models (SSMs) achieve lower performance than TNNs in language modeling but offer the advantage of constant inference complexity. In this paper, we aim to combine the strengths of TNNs and SSMs by converting TNNs to SSMs during inference, thereby enabling TNNs to achieve the same constant inference complexities as SSMs. To accomplish this, we formulate the conversion process as an optimization problem and provide a closed-form solution. We demonstrate how to transform the target equation into a Vandermonde linear system problem, which can be efficiently solved using the Discrete Fourier Transform (DFT). Notably, our method requires no training and maintains numerical stability. It can be also applied to any LongConv-based model. To assess its effectiveness, we conduct extensive experiments on language modeling tasks across various settings. Additionally, we compare our method to other gradient-descent solutions, highlighting the superior numerical stability of our approach. The source code is available at https://github.com/OpenNLPLab/ETSC-Exact-Toeplitz-to-SSM-Conversion.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

With growing attention to tabular data these days, the attempt to apply a synthetic table to various tasks has been expanded toward various scenarios. Owing to the recent advances in generative modeling, fake data generated by tabular data synthesis models become sophisticated and realistic. However, there still exists a difficulty in modeling discrete variables (columns) of tabular data. In this work, we propose to process continuous and discrete variables separately (but being conditioned on each other) by two diffusion models. The two diffusion models are co-evolved during training by reading conditions from each other. In order to further bind the diffusion models, moreover, we introduce a contrastive learning method with a negative sampling method. In our experiments with 11 real-world tabular datasets and 8 baseline methods, we prove the efficacy of the proposed method, called CoDi.

Latent Consistency Model (LCM) extends the Consistency Model to the latent space and leverages the guided consistency distillation technique to achieve impressive performance in accelerating text-to-image synthesis. However, we observed that LCM struggles to generate images with both clarity and detailed intricacy. To address this limitation, we initially delve into and elucidate the underlying causes. Our investigation identifies that the primary issue stems from errors in three distinct areas. Consequently, we introduce Trajectory Consistency Distillation (TCD), which encompasses trajectory consistency function and strategic stochastic sampling. The trajectory consistency function diminishes the distillation errors by broadening the scope of the self-consistency boundary condition and endowing the TCD with the ability to accurately trace the entire trajectory of the Probability Flow ODE. Additionally, strategic stochastic sampling is specifically designed to circumvent the accumulated errors inherent in multi-step consistency sampling, which is meticulously tailored to complement the TCD model. Experiments demonstrate that TCD not only significantly enhances image quality at low NFEs but also yields more detailed results compared to the teacher model at high NFEs.

Tangent Model Composition (TMC) is a method to combine component models independently fine-tuned around a pre-trained point. Component models are tangent vectors to the pre-trained model that can be added, scaled, or subtracted to support incremental learning, ensembling, or unlearning. Component models are composed at inference time via scalar combination, reducing the cost of ensembling to that of a single model. TMC improves accuracy by 4.2% compared to ensembling non-linearly fine-tuned models at a 2.5x to 10x reduction of inference cost, growing linearly with the number of component models. Each component model can be forgotten at zero cost, with no residual effect on the resulting inference. When used for continual fine-tuning, TMC is not constrained by sequential bias and can be executed in parallel on federated data. TMC outperforms recently published continual fine-tuning methods almost uniformly on each setting -- task-incremental, class-incremental, and data-incremental -- on a total of 13 experiments across 3 benchmark datasets, despite not using any replay buffer. TMC is designed for composing models that are local to a pre-trained embedding, but could be extended to more general settings.

Large pre-trained models for zero/few-shot learning excel in language and vision domains but encounter challenges in multivariate time series (TS) due to the diverse nature and scarcity of publicly available pre-training data. Consequently, there has been a recent surge in utilizing pre-trained large language models (LLMs) with token adaptations for TS forecasting. These approaches employ cross-domain transfer learning and surprisingly yield impressive results. However, these models are typically very slow and large (~billion parameters) and do not consider cross-channel correlations. To address this, we present Tiny Time Mixers (TTM), a significantly small model based on the lightweight TSMixer architecture. TTM marks the first success in developing fast and tiny general pre-trained models (<1M parameters), exclusively trained on public TS datasets, with effective transfer learning capabilities for forecasting. To tackle the complexity of pre-training on multiple datasets with varied temporal resolutions, we introduce several novel enhancements such as adaptive patching, dataset augmentation via downsampling, and resolution prefix tuning. Moreover, we employ a multi-level modeling strategy to effectively model channel correlations and infuse exogenous signals during fine-tuning, a crucial capability lacking in existing benchmarks. TTM shows significant accuracy gains (12-38\%) over popular benchmarks in few/zero-shot forecasting. It also drastically reduces the compute needs as compared to LLM-TS methods, with a 14X cut in learnable parameters, 106X less total parameters, and substantial reductions in fine-tuning (65X) and inference time (54X). In fact, TTM's zero-shot often surpasses the few-shot results in many popular benchmarks, highlighting the efficacy of our approach. Code and pre-trained models will be open-sourced.

Through considerable effort and intuition, several recent works have reverse-engineered nontrivial behaviors of transformer models. This paper systematizes the mechanistic interpretability process they followed. First, researchers choose a metric and dataset that elicit the desired model behavior. Then, they apply activation patching to find which abstract neural network units are involved in the behavior. By varying the dataset, metric, and units under investigation, researchers can understand the functionality of each component. We automate one of the process' steps: to identify the circuit that implements the specified behavior in the model's computational graph. We propose several algorithms and reproduce previous interpretability results to validate them. For example, the ACDC algorithm rediscovered 5/5 of the component types in a circuit in GPT-2 Small that computes the Greater-Than operation. ACDC selected 68 of the 32,000 edges in GPT-2 Small, all of which were manually found by previous work. Our code is available at https://github.com/ArthurConmy/Automatic-Circuit-Discovery.

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including run-time, diversity, and architectural restrictions. In particular, this compendium covers energy-based models, variational autoencoders, generative adversarial networks, autoregressive models, normalizing flows, in addition to numerous hybrid approaches. These techniques are compared and contrasted, explaining the premises behind each and how they are interrelated, while reviewing current state-of-the-art advances and implementations.

We propose a novel family of language models, Latent-Thought Language Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors, and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional LLMs, yielding a structured design space. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to conventional autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model and latent size, and achieve competitive performance in conditional and unconditional text generation.

Large language models (LLMs) have garnered unprecedented advancements across diverse fields, ranging from natural language processing to computer vision and beyond. The prowess of LLMs is underpinned by their substantial model size, extensive and diverse datasets, and the vast computational power harnessed during training, all of which contribute to the emergent abilities of LLMs (e.g., in-context learning) that are not present in small models. Within this context, the mixture of experts (MoE) has emerged as an effective method for substantially scaling up model capacity with minimal computation overhead, gaining significant attention from academia and industry. Despite its growing prevalence, there lacks a systematic and comprehensive review of the literature on MoE. This survey seeks to bridge that gap, serving as an essential resource for researchers delving into the intricacies of MoE. We first briefly introduce the structure of the MoE layer, followed by proposing a new taxonomy of MoE. Next, we overview the core designs for various MoE models including both algorithmic and systemic aspects, alongside collections of available open-source implementations, hyperparameter configurations and empirical evaluations. Furthermore, we delineate the multifaceted applications of MoE in practice, and outline some potential directions for future research. To facilitate ongoing updates and the sharing of cutting-edge developments in MoE research, we have established a resource repository accessible at https://github.com/withinmiaov/A-Survey-on-Mixture-of-Experts.

Continual Test-Time Adaptation (CTTA) aims to adapt the source model to continually changing unlabeled target domains without access to the source data. Existing methods mainly focus on model-based adaptation in a self-training manner, such as predicting pseudo labels for new domain datasets. Since pseudo labels are noisy and unreliable, these methods suffer from catastrophic forgetting and error accumulation when dealing with dynamic data distributions. Motivated by the prompt learning in NLP, in this paper, we propose to learn an image-level visual domain prompt for target domains while having the source model parameters frozen. During testing, the changing target datasets can be adapted to the source model by reformulating the input data with the learned visual prompts. Specifically, we devise two types of prompts, i.e., domains-specific prompts and domains-agnostic prompts, to extract current domain knowledge and maintain the domain-shared knowledge in the continual adaptation. Furthermore, we design a homeostasis-based prompt adaptation strategy to suppress domain-sensitive parameters in domain-invariant prompts to learn domain-shared knowledge more effectively. This transition from the model-dependent paradigm to the model-free one enables us to bypass the catastrophic forgetting and error accumulation problems. Experiments show that our proposed method achieves significant performance gains over state-of-the-art methods on four widely-used benchmarks, including CIFAR-10C, CIFAR-100C, ImageNet-C, and VLCS datasets.

State Space Models (SSMs) have become the leading alternative to Transformers for sequence modeling. Their primary advantage is efficiency in long-context and long-form generation, enabled by fixed-size memory and linear scaling of computational complexity. We begin this work by showing a simple theoretical result stating that SSMs cannot accurately solve any ``truly long-form'' generation problem (in a sense we formally define), undermining their main competitive advantage. However, we show that this limitation can be mitigated by allowing SSMs interactive access to external tools. In fact, we show that given the right choice of tool access and problem-dependent training data, SSMs can learn to solve any tractable problem and generalize to arbitrary problem length/complexity (i.e., achieve length generalization). Following our theoretical finding, we demonstrate that tool-augmented SSMs achieve remarkable length generalization on a variety of arithmetic, reasoning, and coding tasks. These findings highlight SSMs as a potential efficient alternative to Transformers in interactive tool-based and agentic settings.

Diffusion models have emerged as a powerful new family of deep generative models with record-breaking performance in many applications, including image synthesis, video generation, and molecule design. In this survey, we provide an overview of the rapidly expanding body of work on diffusion models, categorizing the research into three key areas: efficient sampling, improved likelihood estimation, and handling data with special structures. We also discuss the potential for combining diffusion models with other generative models for enhanced results. We further review the wide-ranging applications of diffusion models in fields spanning from computer vision, natural language generation, temporal data modeling, to interdisciplinary applications in other scientific disciplines. This survey aims to provide a contextualized, in-depth look at the state of diffusion models, identifying the key areas of focus and pointing to potential areas for further exploration. Github: https://github.com/YangLing0818/Diffusion-Models-Papers-Survey-Taxonomy.

Training deep networks requires various design decisions regarding for instance their architecture, data augmentation, or optimization. In this work, we find these training variations to result in networks learning unique feature sets from the data. Using public model libraries comprising thousands of models trained on canonical datasets like ImageNet, we observe that for arbitrary pairings of pretrained models, one model extracts significant data context unavailable in the other -- independent of overall performance. Given any arbitrary pairing of pretrained models and no external rankings (such as separate test sets, e.g. due to data privacy), we investigate if it is possible to transfer such "complementary" knowledge from one model to another without performance degradation -- a task made particularly difficult as additional knowledge can be contained in stronger, equiperformant or weaker models. Yet facilitating robust transfer in scenarios agnostic to pretrained model pairings would unlock auxiliary gains and knowledge fusion from any model repository without restrictions on model and problem specifics - including from weaker, lower-performance models. This work therefore provides an initial, in-depth exploration on the viability of such general-purpose knowledge transfer. Across large-scale experiments, we first reveal the shortcomings of standard knowledge distillation techniques, and then propose a much more general extension through data partitioning for successful transfer between nearly all pretrained models, which we show can also be done unsupervised. Finally, we assess both the scalability and impact of fundamental model properties on successful model-agnostic knowledge transfer.

Interpretability research now offers a variety of techniques for identifying abstract internal mechanisms in neural networks. Can such techniques be used to predict how models will behave on out-of-distribution examples? In this work, we provide a positive answer to this question. Through a diverse set of language modeling tasks--including symbol manipulation, knowledge retrieval, and instruction following--we show that the most robust features for correctness prediction are those that play a distinctive causal role in the model's behavior. Specifically, we propose two methods that leverage causal mechanisms to predict the correctness of model outputs: counterfactual simulation (checking whether key causal variables are realized) and value probing (using the values of those variables to make predictions). Both achieve high AUC-ROC in distribution and outperform methods that rely on causal-agnostic features in out-of-distribution settings, where predicting model behaviors is more crucial. Our work thus highlights a novel and significant application for internal causal analysis of language models.

Time series foundation models (TSFMs) have recently gained significant attention due to their strong zero-shot capabilities and widespread real-world applications. Such models typically require a computationally costly pretraining on large-scale, carefully curated collections of real-world sequences. To allow for a sample-efficient pretraining of TSFMs, we propose CauKer, a novel algorithm designed to generate diverse, causally coherent synthetic time series with realistic trends, seasonality, and nonlinear interactions. CauKer combines Gaussian Process (GP) kernel composition with Structural Causal Models (SCM) to produce data for sample-efficient pretraining of state-of-the-art classification TSFMs having different architectures and following different pretraining approaches. Additionally, our experiments reveal that CauKer-generated datasets exhibit clear scaling laws for both dataset size (10K to 10M samples) and model capacity (1M to 783M parameters), unlike real-world datasets, which display irregular scaling behavior.

Knowledge tracing (KT) has recently been an active research area of computational pedagogy. The task is to model students' mastery level of knowledge concepts based on their responses to the questions in the past, as well as predict the probabilities that they correctly answer subsequent questions in the future. KT tasks were historically solved using statistical modeling methods such as Bayesian inference and factor analysis, but recent advances in deep learning have led to the successive proposals that leverage deep neural networks, including long short-term memory networks, memory-augmented networks and self-attention networks. While those deep models demonstrate superior performance over the traditional approaches, they all neglect the explicit modeling of the learning curve theory, which generally says that more practice on the same knowledge concept enhances one's mastery level of the concept. Based on this theory, we propose a Convolution-Augmented Knowledge Tracing (CAKT) model in this paper. The model employs three-dimensional convolutional neural networks to explicitly learn a student's recent experience on applying the same knowledge concept with that in the next question, and fuses the learnt feature with the feature representing her overall latent knowledge state obtained using a classic LSTM network. The fused feature is then fed into a second LSTM network to predict the student's response to the next question. Experimental results show that CAKT achieves the new state-of-the-art performance in predicting students' responses compared with existing models. We also conduct extensive sensitivity analysis and ablation study to show the stability of the results and justify the particular architecture of CAKT, respectively.

We investigate the use of randomly generated data for the sake of pre-training a model. We justify this approach theoretically from the perspective of algorithmic complexity, building on recent research that shows that sequence models can be trained to approximate Solomonoff induction. We derive similar, but complementary theoretical results. We show empirically that synthetically generated data can be used to pre-train a model before the data is seen. We replicate earlier results that models trained this way show zero-shot in-context learning across a variety of datasets, and that this performance improves with scale. We extend earlier results to real-world data, and show that finetuning a model after pre-training offers faster convergence and better generalization.

Nowadays, real-world applications often face streaming data, which requires the learning system to absorb new knowledge as data evolves. Continual Learning (CL) aims to achieve this goal and meanwhile overcome the catastrophic forgetting of former knowledge when learning new ones. Typical CL methods build the model from scratch to grow with incoming data. However, the advent of the pre-trained model (PTM) era has sparked immense research interest, particularly in leveraging PTMs' robust representational capabilities. This paper presents a comprehensive survey of the latest advancements in PTM-based CL. We categorize existing methodologies into three distinct groups, providing a comparative analysis of their similarities, differences, and respective advantages and disadvantages. Additionally, we offer an empirical study contrasting various state-of-the-art methods to highlight concerns regarding fairness in comparisons. The source code to reproduce these evaluations is available at: https://github.com/sun-hailong/LAMDA-PILOT

Long-range dependencies are critical for understanding genomic structure and function, yet most conventional methods struggle with them. Widely adopted transformer-based models, while excelling at short-context tasks, are limited by the attention module's quadratic computational complexity and inability to extrapolate to sequences longer than those seen in training. In this work, we explore State Space Models (SSMs) as a promising alternative by benchmarking two SSM-inspired architectures, Caduceus and Hawk, on long-range genomics modeling tasks under conditions parallel to a 50M parameter transformer baseline. We discover that SSMs match transformer performance and exhibit impressive zero-shot extrapolation across multiple tasks, handling contexts 10 to 100 times longer than those seen during training, indicating more generalizable representations better suited for modeling the long and complex human genome. Moreover, we demonstrate that these models can efficiently process sequences of 1M tokens on a single GPU, allowing for modeling entire genomic regions at once, even in labs with limited compute. Our findings establish SSMs as efficient and scalable for long-context genomic analysis.

Effectively modeling long spatiotemporal sequences is challenging due to the need to model complex spatial correlations and long-range temporal dependencies simultaneously. ConvLSTMs attempt to address this by updating tensor-valued states with recurrent neural networks, but their sequential computation makes them slow to train. In contrast, Transformers can process an entire spatiotemporal sequence, compressed into tokens, in parallel. However, the cost of attention scales quadratically in length, limiting their scalability to longer sequences. Here, we address the challenges of prior methods and introduce convolutional state space models (ConvSSM) that combine the tensor modeling ideas of ConvLSTM with the long sequence modeling approaches of state space methods such as S4 and S5. First, we demonstrate how parallel scans can be applied to convolutional recurrences to achieve subquadratic parallelization and fast autoregressive generation. We then establish an equivalence between the dynamics of ConvSSMs and SSMs, which motivates parameterization and initialization strategies for modeling long-range dependencies. The result is ConvS5, an efficient ConvSSM variant for long-range spatiotemporal modeling. ConvS5 significantly outperforms Transformers and ConvLSTM on a long horizon Moving-MNIST experiment while training 3X faster than ConvLSTM and generating samples 400X faster than Transformers. In addition, ConvS5 matches or exceeds the performance of state-of-the-art methods on challenging DMLab, Minecraft and Habitat prediction benchmarks and enables new directions for modeling long spatiotemporal sequences.

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.

To address the interpretability challenge in machine learning (ML) systems, counterfactual explanations (CEs) have emerged as a promising solution. CEs are unique as they provide workable suggestions to users, in addition to explaining why a certain outcome was predicted. The application of CEs encounters two main challenges: general user preferences and variable ML systems. User preferences tend to be general rather than specific, and CEs need to be adaptable to variable ML models while maintaining robustness even as these models change. Facing these challenges, we present a solution rooted in validated general user preferences, which are derived from thorough user research. We map these preferences to the properties of CEs. Additionally, we introduce a novel method, Tree-based Conditions Optional Links (T-COL), which incorporates two optional structures and multiple condition groups for generating CEs adaptable to general user preferences. Meanwhile, we employ T-COL to enhance the robustness of CEs with specific conditions, making them more valid even when the ML model is replaced. Our experimental comparisons under different user preferences show that T-COL outperforms all baselines, including Large Language Models which are shown to be able to generate counterfactuals.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

In-Context Learning (ICL) is an essential emergent ability of Large Language Models (LLMs), and recent studies introduce Chain-of-Thought (CoT) to exemplars of ICL to enhance the reasoning capability, especially in mathematics tasks. However, given the continuous advancement of model capabilities, it remains unclear whether CoT exemplars still benefit recent, stronger models in such tasks. Through systematic experiments, we find that for recent strong models such as the Qwen2.5 series, adding traditional CoT exemplars does not improve reasoning performance compared to Zero-Shot CoT. Instead, their primary function is to align the output format with human expectations. We further investigate the effectiveness of enhanced CoT exemplars, constructed using answers from advanced models such as Qwen2.5-Max and DeepSeek-R1. Experimental results indicate that these enhanced exemplars still fail to improve the model's reasoning performance. Further analysis reveals that models tend to ignore the exemplars and focus primarily on the instructions, leading to no observable gain in reasoning ability. Overall, our findings highlight the limitations of the current ICL+CoT framework in mathematical reasoning, calling for a re-examination of the ICL paradigm and the definition of exemplars.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

We propose TR0N, a highly general framework to turn pre-trained unconditional generative models, such as GANs and VAEs, into conditional models. The conditioning can be highly arbitrary, and requires only a pre-trained auxiliary model. For example, we show how to turn unconditional models into class-conditional ones with the help of a classifier, and also into text-to-image models by leveraging CLIP. TR0N learns a lightweight stochastic mapping which "translates" between the space of conditions and the latent space of the generative model, in such a way that the generated latent corresponds to a data sample satisfying the desired condition. The translated latent samples are then further improved upon through Langevin dynamics, enabling us to obtain higher-quality data samples. TR0N requires no training data nor fine-tuning, yet can achieve a zero-shot FID of 10.9 on MS-COCO, outperforming competing alternatives not only on this metric, but also in sampling speed -- all while retaining a much higher level of generality. Our code is available at https://github.com/layer6ai-labs/tr0n.

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

The public model zoo containing enormous powerful pretrained model families (e.g., ResNet/DeiT) has reached an unprecedented scope than ever, which significantly contributes to the success of deep learning. As each model family consists of pretrained models with diverse scales (e.g., DeiT-Ti/S/B), it naturally arises a fundamental question of how to efficiently assemble these readily available models in a family for dynamic accuracy-efficiency trade-offs at runtime. To this end, we present Stitchable Neural Networks (SN-Net), a novel scalable and efficient framework for model deployment. It cheaply produces numerous networks with different complexity and performance trade-offs given a family of pretrained neural networks, which we call anchors. Specifically, SN-Net splits the anchors across the blocks/layers and then stitches them together with simple stitching layers to map the activations from one anchor to another. With only a few epochs of training, SN-Net effectively interpolates between the performance of anchors with varying scales. At runtime, SN-Net can instantly adapt to dynamic resource constraints by switching the stitching positions. Extensive experiments on ImageNet classification demonstrate that SN-Net can obtain on-par or even better performance than many individually trained networks while supporting diverse deployment scenarios. For example, by stitching Swin Transformers, we challenge hundreds of models in Timm model zoo with a single network. We believe this new elastic model framework can serve as a strong baseline for further research in wider communities.

Existing Score-Based Models (SBMs) can be categorized into constrained SBMs (CSBMs) or unconstrained SBMs (USBMs) according to their parameterization approaches. CSBMs model probability density functions as Boltzmann distributions, and assign their predictions as the negative gradients of some scalar-valued energy functions. On the other hand, USBMs employ flexible architectures capable of directly estimating scores without the need to explicitly model energy functions. In this paper, we demonstrate that the architectural constraints of CSBMs may limit their modeling ability. In addition, we show that USBMs' inability to preserve the property of conservativeness may lead to degraded performance in practice. To address the above issues, we propose Quasi-Conservative Score-Based Models (QCSBMs) for keeping the advantages of both CSBMs and USBMs. Our theoretical derivations demonstrate that the training objective of QCSBMs can be efficiently integrated into the training processes by leveraging the Hutchinson's trace estimator. In addition, our experimental results on the CIFAR-10, CIFAR-100, ImageNet, and SVHN datasets validate the effectiveness of QCSBMs. Finally, we justify the advantage of QCSBMs using an example of a one-layered autoencoder.

We marry ideas from deep neural networks and approximate Bayesian inference to derive a generalised class of deep, directed generative models, endowed with a new algorithm for scalable inference and learning. Our algorithm introduces a recognition model to represent approximate posterior distributions, and that acts as a stochastic encoder of the data. We develop stochastic back-propagation -- rules for back-propagation through stochastic variables -- and use this to develop an algorithm that allows for joint optimisation of the parameters of both the generative and recognition model. We demonstrate on several real-world data sets that the model generates realistic samples, provides accurate imputations of missing data and is a useful tool for high-dimensional data visualisation.

A central goal of sequence modeling is designing a single principled model that can address sequence data across a range of modalities and tasks, particularly on long-range dependencies. Although conventional models including RNNs, CNNs, and Transformers have specialized variants for capturing long dependencies, they still struggle to scale to very long sequences of 10000 or more steps. A promising recent approach proposed modeling sequences by simulating the fundamental state space model (SSM) \( x'(t) = Ax(t) + Bu(t), y(t) = Cx(t) + Du(t) \), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically. However, this method has prohibitive computation and memory requirements, rendering it infeasible as a general sequence modeling solution. We propose the Structured State Space sequence model (S4) based on a new parameterization for the SSM, and show that it can be computed much more efficiently than prior approaches while preserving their theoretical strengths. Our technique involves conditioning \( A \) with a low-rank correction, allowing it to be diagonalized stably and reducing the SSM to the well-studied computation of a Cauchy kernel. S4 achieves strong empirical results across a diverse range of established benchmarks, including (i) 91\% accuracy on sequential CIFAR-10 with no data augmentation or auxiliary losses, on par with a larger 2-D ResNet, (ii) substantially closing the gap to Transformers on image and language modeling tasks, while performing generation 60times faster (iii) SoTA on every task from the Long Range Arena benchmark, including solving the challenging Path-X task of length 16k that all prior work fails on, while being as efficient as all competitors.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Few-shot continual learning (FSCL) has attracted intensive attention and achieved some advances in recent years, but now it is difficult to again make a big stride in accuracy due to the limitation of only few-shot incremental samples. Inspired by distinctive human cognition ability in life learning, in this work, we propose a novel Big-model driven Few-shot Continual Learning (B-FSCL) framework to gradually evolve the model under the traction of the world's big-models (like human accumulative knowledge). Specifically, we perform the big-model driven transfer learning to leverage the powerful encoding capability of these existing big-models, which can adapt the continual model to a few of newly added samples while avoiding the over-fitting problem. Considering that the big-model and the continual model may have different perceived results for the identical images, we introduce an instance-level adaptive decision mechanism to provide the high-level flexibility cognitive support adjusted to varying samples. In turn, the adaptive decision can be further adopted to optimize the parameters of the continual model, performing the adaptive distillation of big-model's knowledge information. Experimental results of our proposed B-FSCL on three popular datasets (including CIFAR100, minilmageNet and CUB200) completely surpass all state-of-the-art FSCL methods.

Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via implicit chain-of-thought, and report three findings: (1) Evidence of long-range structure: Logit attributions and linear probes indicate that the model encodes the necessary long-range dependencies for multi-digit multiplication. (2) Mechanism: the model encodes long-range dependencies using attention to construct a directed acyclic graph to ``cache'' and ``retrieve'' pairwise partial products. (3) Geometry: the model implements partial products in attention heads by forming Minkowski sums between pairs of digits, and digits are represented using a Fourier basis, both of which are intuitive and efficient representations that the standard fine-tuning model lacks. With these insights, we revisit the learning dynamics of standard fine-tuning and find that the model converges to a local optimum that lacks the required long-range dependencies. We further validate this understanding by introducing an auxiliary loss that predicts the ``running sum'' via a linear regression probe, which provides an inductive bias that enables the model to successfully learn multi-digit multiplication. In summary, by reverse-engineering the mechanisms of an implicit chain-of-thought model we uncover a pitfall for learning long-range dependencies in Transformers and provide an example of how the correct inductive bias can address this issue.

Learning arguably involves the discovery and memorization of abstract rules. The aim of this paper is to study associative memory mechanisms. Our model is based on high-dimensional matrices consisting of outer products of embeddings, which relates to the inner layers of transformer language models. We derive precise scaling laws with respect to sample size and parameter size, and discuss the statistical efficiency of different estimators, including optimization-based algorithms. We provide extensive numerical experiments to validate and interpret theoretical results, including fine-grained visualizations of the stored memory associations.

Large language models (LLMs) have rapidly progressed into general-purpose agents capable of solving a broad spectrum of tasks. However, current models remain inefficient at reasoning: they apply fixed inference-time compute regardless of task complexity, often overthinking simple problems while underthinking hard ones. This survey presents a comprehensive review of efficient test-time compute (TTC) strategies, which aim to improve the computational efficiency of LLM reasoning. We introduce a two-tiered taxonomy that distinguishes between L1-controllability, methods that operate under fixed compute budgets, and L2-adaptiveness, methods that dynamically scale inference based on input difficulty or model confidence. We benchmark leading proprietary LLMs across diverse datasets, highlighting critical trade-offs between reasoning performance and token usage. Compared to prior surveys on efficient reasoning, our review emphasizes the practical control, adaptability, and scalability of TTC methods. Finally, we discuss emerging trends such as hybrid thinking models and identify key challenges for future work towards making LLMs more computationally efficient, robust, and responsive to user constraints.

We introduce CoT-ICL Lab, a framework and methodology to generate synthetic tokenized datasets and systematically study chain-of-thought (CoT) in-context learning (ICL) in language models. CoT-ICL Lab allows fine grained control over the complexity of in-context examples by decoupling (1) the causal structure involved in chain token generation from (2) the underlying token processing functions. We train decoder-only transformers (up to 700M parameters) on these datasets and show that CoT accelerates the accuracy transition to higher values across model sizes. In particular, we find that model depth is crucial for leveraging CoT with limited in-context examples, while more examples help shallow models match deeper model performance. Additionally, limiting the diversity of token processing functions throughout training improves causal structure learning via ICL. We also interpret these transitions by analyzing transformer embeddings and attention maps. Overall, CoT-ICL Lab serves as a simple yet powerful testbed for theoretical and empirical insights into ICL and CoT in language models.

With the surge of large-scale pre-trained models (PTMs), fine-tuning these models to numerous downstream tasks becomes a crucial problem. Consequently, parameter efficient transfer learning (PETL) of large models has grasped huge attention. While recent PETL methods showcase impressive performance, they rely on optimistic assumptions: 1) the entire parameter set of a PTM is available, and 2) a sufficiently large memory capacity for the fine-tuning is equipped. However, in most real-world applications, PTMs are served as a black-box API or proprietary software without explicit parameter accessibility. Besides, it is hard to meet a large memory requirement for modern PTMs. In this work, we propose black-box visual prompting (BlackVIP), which efficiently adapts the PTMs without knowledge about model architectures and parameters. BlackVIP has two components; 1) Coordinator and 2) simultaneous perturbation stochastic approximation with gradient correction (SPSA-GC). The Coordinator designs input-dependent image-shaped visual prompts, which improves few-shot adaptation and robustness on distribution/location shift. SPSA-GC efficiently estimates the gradient of a target model to update Coordinator. Extensive experiments on 16 datasets demonstrate that BlackVIP enables robust adaptation to diverse domains without accessing PTMs' parameters, with minimal memory requirements. Code: https://github.com/changdaeoh/BlackVIP

Deep neural networks are highly performant, but might base their decision on spurious or background features that co-occur with certain classes, which can hurt generalization. To mitigate this issue, the usage of 'model guidance' has gained popularity recently: for this, models are guided to be "right for the right reasons" by regularizing the models' explanations to highlight the right features. Experimental validation of these approaches has thus far however been limited to relatively simple and / or synthetic datasets. To gain a better understanding of which model-guiding approaches actually transfer to more challenging real-world datasets, in this work we conduct an in-depth evaluation across various loss functions, attribution methods, models, and 'guidance depths' on the PASCAL VOC 2007 and MS COCO 2014 datasets, and show that model guidance can sometimes even improve model performance. In this context, we further propose a novel energy loss, show its effectiveness in directing the model to focus on object features. We also show that these gains can be achieved even with a small fraction (e.g. 1%) of bounding box annotations, highlighting the cost effectiveness of this approach. Lastly, we show that this approach can also improve generalization under distribution shifts. Code will be made available.

We participated in the SynthRAD2025 challenge (Tasks 1 and 2) with a unified pipeline for synthetic CT (sCT) generation from MRI and CBCT, implemented using the KonfAI framework. Our model is a 2.5D U-Net++ with a ResNet-34 encoder, trained jointly across anatomical regions and fine-tuned per region. The loss function combined pixel-wise L1 loss with IMPACT-Synth, a perceptual loss derived from SAM and TotalSegmentator to enhance structural fidelity. Training was performed using AdamW (initial learning rate = 0.001, halved every 25k steps) on patch-based, normalized, body-masked inputs (320x320 for MRI, 256x256 for CBCT), with random flipping as the only augmentation. No post-processing was applied. Final predictions leveraged test-time augmentation and five-fold ensembling. The best model was selected based on validation MAE. Two registration strategies were evaluated: (i) Elastix with mutual information, consistent with the challenge pipeline, and (ii) IMPACT, a feature-based similarity metric leveraging pretrained segmentation networks. On the local test sets, IMPACT-based registration achieved more accurate and anatomically consistent alignments than mutual-information-based registration, resulting in improved sCT synthesis with lower MAE and more realistic anatomical structures. On the public validation set, however, models trained with Elastix-aligned data achieved higher scores, reflecting a registration bias favoring alignment strategies consistent with the evaluation pipeline. This highlights how registration errors can propagate into supervised learning, influencing both training and evaluation, and potentially inflating performance metrics at the expense of anatomical fidelity. By promoting anatomically consistent alignment, IMPACT helps mitigate this bias and supports the development of more robust and generalizable sCT synthesis models.

Discovering novel concepts in unlabelled datasets and in a continuous manner is an important desideratum of lifelong learners. In the literature such problems have been partially addressed under very restricted settings, where novel classes are learned by jointly accessing a related labelled set (e.g., NCD) or by leveraging only a supervisedly pre-trained model (e.g., class-iNCD). In this work we challenge the status quo in class-iNCD and propose a learning paradigm where class discovery occurs continuously and truly unsupervisedly, without needing any related labelled set. In detail, we propose to exploit the richer priors from strong self-supervised pre-trained models (PTM). To this end, we propose simple baselines, composed of a frozen PTM backbone and a learnable linear classifier, that are not only simple to implement but also resilient under longer learning scenarios. We conduct extensive empirical evaluation on a multitude of benchmarks and show the effectiveness of our proposed baselines when compared with sophisticated state-of-the-art methods. The code is open source.

Data collection is often difficult in critical fields such as medicine, physics, and chemistry. As a result, classification methods usually perform poorly with these small datasets, leading to weak predictive performance. Increasing the training set with additional synthetic data, similar to data augmentation in images, is commonly believed to improve downstream classification performance. However, current tabular generative methods that learn either the joint distribution p(x, y) or the class-conditional distribution p(x mid y) often overfit on small datasets, resulting in poor-quality synthetic data, usually worsening classification performance compared to using real data alone. To solve these challenges, we introduce TabEBM, a novel class-conditional generative method using Energy-Based Models (EBMs). Unlike existing methods that use a shared model to approximate all class-conditional densities, our key innovation is to create distinct EBM generative models for each class, each modelling its class-specific data distribution individually. This approach creates robust energy landscapes, even in ambiguous class distributions. Our experiments show that TabEBM generates synthetic data with higher quality and better statistical fidelity than existing methods. When used for data augmentation, our synthetic data consistently improves the classification performance across diverse datasets of various sizes, especially small ones. Code is available at https://github.com/andreimargeloiu/TabEBM.

Conformal prediction is a powerful tool to generate uncertainty sets with guaranteed coverage using any predictive model, under the assumption that the training and test data are i.i.d.. Recently, it has been shown that adversarial examples are able to manipulate conformal methods to construct prediction sets with invalid coverage rates, as the i.i.d. assumption is violated. To address this issue, a recent work, Randomized Smoothed Conformal Prediction (RSCP), was first proposed to certify the robustness of conformal prediction methods to adversarial noise. However, RSCP has two major limitations: (i) its robustness guarantee is flawed when used in practice and (ii) it tends to produce large uncertainty sets. To address these limitations, we first propose a novel framework called RSCP+ to provide provable robustness guarantee in evaluation, which fixes the issues in the original RSCP method. Next, we propose two novel methods, Post-Training Transformation (PTT) and Robust Conformal Training (RCT), to effectively reduce prediction set size with little computation overhead. Experimental results in CIFAR10, CIFAR100, and ImageNet suggest the baseline method only yields trivial predictions including full label set, while our methods could boost the efficiency by up to 4.36times, 5.46times, and 16.9times respectively and provide practical robustness guarantee. Our codes are available at https://github.com/Trustworthy-ML-Lab/Provably-Robust-Conformal-Prediction.

Models based on deep convolutional networks have dominated recent image interpretation tasks; we investigate whether models which are also recurrent, or "temporally deep", are effective for tasks involving sequences, visual and otherwise. We develop a novel recurrent convolutional architecture suitable for large-scale visual learning which is end-to-end trainable, and demonstrate the value of these models on benchmark video recognition tasks, image description and retrieval problems, and video narration challenges. In contrast to current models which assume a fixed spatio-temporal receptive field or simple temporal averaging for sequential processing, recurrent convolutional models are "doubly deep"' in that they can be compositional in spatial and temporal "layers". Such models may have advantages when target concepts are complex and/or training data are limited. Learning long-term dependencies is possible when nonlinearities are incorporated into the network state updates. Long-term RNN models are appealing in that they directly can map variable-length inputs (e.g., video frames) to variable length outputs (e.g., natural language text) and can model complex temporal dynamics; yet they can be optimized with backpropagation. Our recurrent long-term models are directly connected to modern visual convnet models and can be jointly trained to simultaneously learn temporal dynamics and convolutional perceptual representations. Our results show such models have distinct advantages over state-of-the-art models for recognition or generation which are separately defined and/or optimized.

Time series forecasting has attracted significant attention in recent decades. Previous studies have demonstrated that the Channel-Independent (CI) strategy improves forecasting performance by treating different channels individually, while it leads to poor generalization on unseen instances and ignores potentially necessary interactions between channels. Conversely, the Channel-Dependent (CD) strategy mixes all channels with even irrelevant and indiscriminate information, which, however, results in oversmoothing issues and limits forecasting accuracy. There is a lack of channel strategy that effectively balances individual channel treatment for improved forecasting performance without overlooking essential interactions between channels. Motivated by our observation of a correlation between the time series model's performance boost against channel mixing and the intrinsic similarity on a pair of channels, we developed a novel and adaptable Channel Clustering Module (CCM). CCM dynamically groups channels characterized by intrinsic similarities and leverages cluster information instead of individual channel identities, combining the best of CD and CI worlds. Extensive experiments on real-world datasets demonstrate that CCM can (1) boost the performance of CI and CD models by an average margin of 2.4% and 7.2% on long-term and short-term forecasting, respectively; (2) enable zero-shot forecasting with mainstream time series forecasting models; (3) uncover intrinsic time series patterns among channels and improve interpretability of complex time series models.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

PixelCNNs are a recently proposed class of powerful generative models with tractable likelihood. Here we discuss our implementation of PixelCNNs which we make available at https://github.com/openai/pixel-cnn. Our implementation contains a number of modifications to the original model that both simplify its structure and improve its performance. 1) We use a discretized logistic mixture likelihood on the pixels, rather than a 256-way softmax, which we find to speed up training. 2) We condition on whole pixels, rather than R/G/B sub-pixels, simplifying the model structure. 3) We use downsampling to efficiently capture structure at multiple resolutions. 4) We introduce additional short-cut connections to further speed up optimization. 5) We regularize the model using dropout. Finally, we present state-of-the-art log likelihood results on CIFAR-10 to demonstrate the usefulness of these modifications.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

Recent work has identified simple empirical scaling laws for language models, linking compute budget, dataset size, model size, and autoregressive modeling loss. The validity of these simple power laws across orders of magnitude in model scale provides compelling evidence that larger models are also more capable models. However, scaling up models under the constraints of hardware and infrastructure is no easy feat, and rapidly becomes a hard and expensive engineering problem. We investigate ways to tentatively cheat scaling laws, and train larger models for cheaper. We emulate an increase in effective parameters, using efficient approximations: either by doping the models with frozen random parameters, or by using fast structured transforms in place of dense linear layers. We find that the scaling relationship between test loss and compute depends only on the actual number of trainable parameters; scaling laws cannot be deceived by spurious parameters.

In natural language processing, transformer-based large language models (LLMs) like GPT-x models developed by OpenAI have revolutionized the landscape. Despite their impressive capabilities, these models often encounter challenges when handling tasks that differ from their training data, resulting in compromised performance. To address this, few-shot learning has emerged as a valuable technique, allowing LLMs to adapt with minimal task-specific data. One innovative strategy, known as Chain-of-Thought Prompting (CoT), has been introduced to guide LLMs in revealing cognitive processes during multi-step reasoning. In this paper, we propose Code Chain-of-Thought~(CodeCoT), which consists of two components: the Vanilla CodeCoT and the Self-exam CodeCoT. The latter incorporates self-examination, empowering the model to iteratively generate code, formulate test cases, and refine its outputs. Specifically, the process entails the generation of test examples by the model corresponding to the code it is tasked to implement. If it fails on the test examples, then it regenerates the code based on the erroneous code and associated error types. Through comprehensive experiments, we observed that both techniques significantly enhance code generation accuracy across various LLM variants. Our evaluation results reveal that CodeCoT improves the code generation effectiveness, including an unprecedented pass@1 accuracy of 79.27\% using the Self-exam CodeCoT approach on the gpt-3.5-turbo-0613 model in the HumanEval dataset.

Time series classification (TSC) on multivariate time series is a critical problem. We propose a novel multi-view approach integrating frequency-domain and time-domain features to provide complementary contexts for TSC. Our method fuses continuous wavelet transform spectral features with temporal convolutional or multilayer perceptron features. We leverage the Mamba state space model for efficient and scalable sequence modeling. We also introduce a novel tango scanning scheme to better model sequence relationships. Experiments on 10 standard benchmark datasets demonstrate our approach achieves an average 6.45% accuracy improvement over state-of-the-art TSC models.

Reasoning-capable language models achieve state-of-the-art performance in diverse complex tasks by generating long, explicit Chain-of-Thought (CoT) traces. While recent works show that base models can acquire such reasoning traces via reinforcement learning or distillation from stronger models like DeepSeek-R1, previous works demonstrate that even short CoT prompting without fine-tuning is able to improve reasoning. We ask whether long CoT can be induced in a base model using only prompting or minimal tuning. Using just 20 long CoT examples from the reasoning model QwQ-32B-Preview, we lightly fine-tune the base model Qwen2.5-32B. The resulting model outperforms the much larger Qwen2.5-Math-72B-Instruct, showing that a handful of high-quality examples can unlock strong reasoning capabilities. We further explore using CoT data from non-reasoning models and human annotators, enhanced with prompt engineering, multi-pass editing, and structural guidance. However, neither matches the performance of reasoning model traces, suggesting that certain latent qualities of expert CoT are difficult to replicate. We analyze key properties of reasoning data, such as problem difficulty, diversity, and answer length, that influence reasoning distillation. While challenges remain, we are optimistic that carefully curated human-written CoT, even in small quantities, can activate reasoning behaviors in base models. We release our human-authored dataset across refinement stages and invite further investigation into what makes small-scale reasoning supervision so effective.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

Conformal prediction is emerging as a popular paradigm for providing rigorous uncertainty quantification in machine learning since it can be easily applied as a post-processing step to already trained models. In this paper, we extend conformal prediction to the federated learning setting. The main challenge we face is data heterogeneity across the clients - this violates the fundamental tenet of exchangeability required for conformal prediction. We propose a weaker notion of partial exchangeability, better suited to the FL setting, and use it to develop the Federated Conformal Prediction (FCP) framework. We show FCP enjoys rigorous theoretical guarantees and excellent empirical performance on several computer vision and medical imaging datasets. Our results demonstrate a practical approach to incorporating meaningful uncertainty quantification in distributed and heterogeneous environments. We provide code used in our experiments https://github.com/clu5/federated-conformal.

As post-training processes utilize increasingly large datasets and base models continue to grow in size, the computational demands and implementation challenges of existing algorithms are escalating significantly. In this paper, we propose modeling the changes at the logits level during post-training using a separate neural network (i.e., the value network). After training this network on a small base model using demonstrations, this network can be seamlessly integrated with other pre-trained models during inference, enables them to achieve similar capability enhancements. We systematically investigate the best practices for this paradigm in terms of pre-training weights and connection schemes. We demonstrate that the resulting value network has broad transferability across pre-trained models of different parameter sizes within the same family, models undergoing continuous pre-training within the same family, and models with different vocabularies across families. In certain cases, it can achieve performance comparable to full-parameter fine-tuning. Furthermore, we explore methods to enhance the transferability of the value model and prevent overfitting to the base model used during training.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

Foundation models (FMs) have shown transformative potential in radiology by performing diverse, complex tasks across imaging modalities. Here, we developed CT-FM, a large-scale 3D image-based pre-trained model designed explicitly for various radiological tasks. CT-FM was pre-trained using 148,000 computed tomography (CT) scans from the Imaging Data Commons through label-agnostic contrastive learning. We evaluated CT-FM across four categories of tasks, namely, whole-body and tumor segmentation, head CT triage, medical image retrieval, and semantic understanding, showing superior performance against state-of-the-art models. Beyond quantitative success, CT-FM demonstrated the ability to cluster regions anatomically and identify similar anatomical and structural concepts across scans. Furthermore, it remained robust across test-retest settings and indicated reasonable salient regions attached to its embeddings. This study demonstrates the value of large-scale medical imaging foundation models and by open-sourcing the model weights, code, and data, aims to support more adaptable, reliable, and interpretable AI solutions in radiology.

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

Allocating more computation during inference time (test-time scaling) improves language model performance, especially for reasoning tasks. However, popular methods like Best-of-N sampling often show diminishing returns as N increases. To address this inefficiency, we introduce a general test-time calibration framework that adaptively modifies the model toward high-reward reasoning paths, with theoretical guarantees of improving the lower bound of expected reward under finite sampling, all without large language model (LLM) retraining. Within this framework, we propose CarBoN (Calibrated Best-of-N), a two-phase method that first explores the solution space and then learns a calibration of the logits via an input-specific temperature T and additive shift vector delta, guiding generation toward more reliable reasoning. Experiments on MATH-500 and AIME-2024 show that CarBoN improves efficiency, with up to 4times fewer rollouts to reach the same accuracy, while often achieving higher accuracy under fixed budgets. We also analyze the complementary roles of T and delta in balancing output diversity and correctness, and demonstrate that the framework also generalizes to step-level sampling strategies such as beam search. For more information, please refer to our project page at huggingface.co/spaces/TrustSafeAI/Test-Time-Calibration.

We consider the problem of training a deep neural network on a given classification task, e.g., ImageNet-1K (IN1K), so that it excels at both the training task as well as at other (future) transfer tasks. These two seemingly contradictory properties impose a trade-off between improving the model's generalization and maintaining its performance on the original task. Models trained with self-supervised learning tend to generalize better than their supervised counterparts for transfer learning; yet, they still lag behind supervised models on IN1K. In this paper, we propose a supervised learning setup that leverages the best of both worlds. We extensively analyze supervised training using multi-scale crops for data augmentation and an expendable projector head, and reveal that the design of the projector allows us to control the trade-off between performance on the training task and transferability. We further replace the last layer of class weights with class prototypes computed on the fly using a memory bank and derive two models: t-ReX that achieves a new state of the art for transfer learning and outperforms top methods such as DINO and PAWS on IN1K, and t-ReX* that matches the highly optimized RSB-A1 model on IN1K while performing better on transfer tasks. Code and pretrained models: https://europe.naverlabs.com/t-rex

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

Test-Time Training (TTT) models context dependencies by adapting part of the model's weights (referred to as fast weights) during inference. This fast weight, akin to recurrent states in RNNs, stores temporary memories of past tokens in the current sequence. Existing TTT methods struggled to show effectiveness in handling long-context data, due to their inefficiency on modern GPUs. The TTT layers in many of these approaches operate with extremely low FLOPs utilization (often <5%) because they deliberately apply small online minibatch sizes (e.g., updating fast weights every 16 or 64 tokens). Moreover, a small minibatch implies fine-grained block-wise causal dependencies in the data, unsuitable for data beyond 1D ordered sequences, like sets or N-dimensional grids such as images or videos. In contrast, we pursue the opposite direction by using an extremely large chunk update, ranging from 2K to 1M tokens across tasks of varying modalities, which we refer to as Large Chunk Test-Time Training (LaCT). It improves hardware utilization by orders of magnitude, and more importantly, facilitates scaling of nonlinear state size (up to 40% of model parameters), hence substantially improving state capacity, all without requiring cumbersome and error-prone kernel implementations. It also allows easy integration of sophisticated optimizers, e.g. Muon for online updates. We validate our approach across diverse modalities and tasks, including novel view synthesis with image set, language models, and auto-regressive video diffusion. Our approach can scale up to 14B-parameter AR video diffusion model on sequences up to 56K tokens. In our longest sequence experiment, we perform novel view synthesis with 1 million context length. We hope this work will inspire and accelerate new research in the field of long-context modeling and test-time training. Website: https://tianyuanzhang.com/projects/ttt-done-right

Energy-Based Models (EBMs) have emerged as a powerful framework in the realm of generative modeling, offering a unique perspective that aligns closely with principles of statistical mechanics. This review aims to provide physicists with a comprehensive understanding of EBMs, delineating their connection to other generative models such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Normalizing Flows. We explore the sampling techniques crucial for EBMs, including Markov Chain Monte Carlo (MCMC) methods, and draw parallels between EBM concepts and statistical mechanics, highlighting the significance of energy functions and partition functions. Furthermore, we delve into state-of-the-art training methodologies for EBMs, covering recent advancements and their implications for enhanced model performance and efficiency. This review is designed to clarify the often complex interconnections between these models, which can be challenging due to the diverse communities working on the topic.

In hematology, computational models offer significant potential to improve diagnostic accuracy, streamline workflows, and reduce the tedious work of analyzing single cells in peripheral blood or bone marrow smears. However, clinical adoption of computational models has been hampered by the lack of generalization due to large batch effects, small dataset sizes, and poor performance in transfer learning from natural images. To address these challenges, we introduce DinoBloom, the first foundation model for single cell images in hematology, utilizing a tailored DINOv2 pipeline. Our model is built upon an extensive collection of 13 diverse, publicly available datasets of peripheral blood and bone marrow smears, the most substantial open-source cohort in hematology so far, comprising over 380,000 white blood cell images. To assess its generalization capability, we evaluate it on an external dataset with a challenging domain shift. We show that our model outperforms existing medical and non-medical vision models in (i) linear probing and k-nearest neighbor evaluations for cell-type classification on blood and bone marrow smears and (ii) weakly supervised multiple instance learning for acute myeloid leukemia subtyping by a large margin. A family of four DinoBloom models (small, base, large, and giant) can be adapted for a wide range of downstream applications, be a strong baseline for classification problems, and facilitate the assessment of batch effects in new datasets. All models are available at github.com/marrlab/DinoBloom.

We introduce Compartmentalized Diffusion Models (CDM), a method to train different diffusion models (or prompts) on distinct data sources and arbitrarily compose them at inference time. The individual models can be trained in isolation, at different times, and on different distributions and domains and can be later composed to achieve performance comparable to a paragon model trained on all data simultaneously. Furthermore, each model only contains information about the subset of the data it was exposed to during training, enabling several forms of training data protection. In particular, CDMs are the first method to enable both selective forgetting and continual learning for large-scale diffusion models, as well as allowing serving customized models based on the user's access rights. CDMs also allow determining the importance of a subset of the data in generating particular samples.

Score-based generative models, commonly referred to as diffusion models, have proven to be successful at generating text and image data. However, their adaptation to mixed-type tabular data remains underexplored. In this work, we propose CDTD, a Continuous Diffusion model for mixed-type Tabular Data. CDTD is based on a novel combination of score matching and score interpolation to enforce a unified continuous noise distribution for both continuous and categorical features. We explicitly acknowledge the necessity of homogenizing distinct data types by relying on model-specific loss calibration and initialization schemes.To further address the high heterogeneity in mixed-type tabular data, we introduce adaptive feature- or type-specific noise schedules. These ensure balanced generative performance across features and optimize the allocation of model capacity across features and diffusion time. Our experimental results show that CDTD consistently outperforms state-of-the-art benchmark models, captures feature correlations exceptionally well, and that heterogeneity in the noise schedule design boosts sample quality. Replication code is available at https://github.com/muellermarkus/cdtd.

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATEs are non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose to perform partial identification of CATEs or, equivalently, aim at estimating of lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our framework is of direct relevance in practice where the validity of CATE estimation is of importance.

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

Computed Tomography (CT) is one of the most popular modalities for medical imaging. By far, CT images have contributed to the largest publicly available datasets for volumetric medical segmentation tasks, covering full-body anatomical structures. Large amounts of full-body CT images provide the opportunity to pre-train powerful models, e.g., STU-Net pre-trained in a supervised fashion, to segment numerous anatomical structures. However, it remains unclear in which conditions these pre-trained models can be transferred to various downstream medical segmentation tasks, particularly segmenting the other modalities and diverse targets. To address this problem, a large-scale benchmark for comprehensive evaluation is crucial for finding these conditions. Thus, we collected 87 public datasets varying in modality, target, and sample size to evaluate the transfer ability of full-body CT pre-trained models. We then employed a representative model, STU-Net with multiple model scales, to conduct transfer learning across modalities and targets. Our experimental results show that (1) there may be a bottleneck effect concerning the dataset size in fine-tuning, with more improvement on both small- and large-scale datasets than medium-size ones. (2) Models pre-trained on full-body CT demonstrate effective modality transfer, adapting well to other modalities such as MRI. (3) Pre-training on the full-body CT not only supports strong performance in structure detection but also shows efficacy in lesion detection, showcasing adaptability across target tasks. We hope that this large-scale open evaluation of transfer learning can direct future research in volumetric medical image segmentation.

Sequence modeling plays a vital role across various domains, with recurrent neural networks being historically the predominant method of performing these tasks. However, the emergence of transformers has altered this paradigm due to their superior performance. Built upon these advances, transformers have conjoined CNNs as two leading foundational models for learning visual representations. However, transformers are hindered by the O(N^2) complexity of their attention mechanisms, while CNNs lack global receptive fields and dynamic weight allocation. State Space Models (SSMs), specifically the \textbf{Mamba} model with selection mechanisms and hardware-aware architecture, have garnered immense interest lately in sequential modeling and visual representation learning, challenging the dominance of transformers by providing infinite context lengths and offering substantial efficiency maintaining linear complexity in the input sequence. Capitalizing on the advances in computer vision, medical imaging has heralded a new epoch with Mamba models. Intending to help researchers navigate the surge, this survey seeks to offer an encyclopedic review of Mamba models in medical imaging. Specifically, we start with a comprehensive theoretical review forming the basis of SSMs, including Mamba architecture and its alternatives for sequence modeling paradigms in this context. Next, we offer a structured classification of Mamba models in the medical field and introduce a diverse categorization scheme based on their application, imaging modalities, and targeted organs. Finally, we summarize key challenges, discuss different future research directions of the SSMs in the medical domain, and propose several directions to fulfill the demands of this field. In addition, we have compiled the studies discussed in this paper along with their open-source implementations on our GitHub repository.

Time series foundation models (TSFMs) offer strong zero-shot forecasting via large-scale pre-training, yet fine-tuning remains critical for boosting performance in domains with limited public data. With the growing number of TSFMs, efficiently identifying the best model for downstream fine-tuning becomes increasingly challenging. In this work, we introduce TimeTic, a transferability estimation framework that recasts model selection as an in-context-learning problem: given observations on known (source) datasets, it predicts how a TSFM will perform after fine-tuning on a downstream (target) dataset. TimeTic flexibly organizes the observed model-data relationships as contextual information, allowing it to adapt seamlessly to various test-time scenarios. Leveraging the natural tabular structure formed by dataset meta-features, model characteristics, and fine-tuned performance, we employ tabular foundation models to serve as in-context learners. We further introduce a novel model characterization based on entropy evolution across model layers, capturing embedding-space distinctions and enabling TimeTic to generalize across arbitrary model sets. We establish a comprehensive benchmark for transferability estimation including 10 datasets, 10 foundation models, and 3 forecasting tasks. On this benchmark, TimeTic's estimation demonstrates strong alignment with actual fine-tuned performance for previously unseen datasets, achieving a mean rank correlation of approximately 0.6 and a 30% improvement compared to using zero-shot performance as the transferability score.

Medical coding is the task of assigning medical codes to clinical free-text documentation. Healthcare professionals manually assign such codes to track patient diagnoses and treatments. Automated medical coding can considerably alleviate this administrative burden. In this paper, we reproduce, compare, and analyze state-of-the-art automated medical coding machine learning models. We show that several models underperform due to weak configurations, poorly sampled train-test splits, and insufficient evaluation. In previous work, the macro F1 score has been calculated sub-optimally, and our correction doubles it. We contribute a revised model comparison using stratified sampling and identical experimental setups, including hyperparameters and decision boundary tuning. We analyze prediction errors to validate and falsify assumptions of previous works. The analysis confirms that all models struggle with rare codes, while long documents only have a negligible impact. Finally, we present the first comprehensive results on the newly released MIMIC-IV dataset using the reproduced models. We release our code, model parameters, and new MIMIC-III and MIMIC-IV training and evaluation pipelines to accommodate fair future comparisons.

Custom diffusion models (CDMs) have attracted widespread attention due to their astonishing generative ability for personalized concepts. However, most existing CDMs unreasonably assume that personalized concepts are fixed and cannot change over time. Moreover, they heavily suffer from catastrophic forgetting and concept neglect on old personalized concepts when continually learning a series of new concepts. To address these challenges, we propose a novel Concept-Incremental text-to-image Diffusion Model (CIDM), which can resolve catastrophic forgetting and concept neglect to learn new customization tasks in a concept-incremental manner. Specifically, to surmount the catastrophic forgetting of old concepts, we develop a concept consolidation loss and an elastic weight aggregation module. They can explore task-specific and task-shared knowledge during training, and aggregate all low-rank weights of old concepts based on their contributions during inference. Moreover, in order to address concept neglect, we devise a context-controllable synthesis strategy that leverages expressive region features and noise estimation to control the contexts of generated images according to user conditions. Experiments validate that our CIDM surpasses existing custom diffusion models. The source codes are available at https://github.com/JiahuaDong/CIFC.

Connectionist temporal classification (CTC) models are known to have peaky output distributions. Such behavior is not a problem for automatic speech recognition (ASR), but it can cause inaccurate forced alignments (FA), especially at finer granularity, e.g., phoneme level. This paper aims at alleviating the peaky behavior for CTC and improve its suitability for forced alignment generation, by leveraging label priors, so that the scores of alignment paths containing fewer blanks are boosted and maximized during training. As a result, our CTC model produces less peaky posteriors and is able to more accurately predict the offset of the tokens besides their onset. It outperforms the standard CTC model and a heuristics-based approach for obtaining CTC's token offset timestamps by 12-40% in phoneme and word boundary errors (PBE and WBE) measured on the Buckeye and TIMIT data. Compared with the most widely used FA toolkit Montreal Forced Aligner (MFA), our method performs similarly on PBE/WBE on Buckeye, yet falls behind MFA on TIMIT. Nevertheless, our method has a much simpler training pipeline and better runtime efficiency. Our training recipe and pretrained model are released in TorchAudio.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

Hidden Markov Models (HMMs) are foundational tools for modeling sequential data with latent Markovian structure, yet fitting them to real-world data remains computationally challenging. In this work, we show that pre-trained large language models (LLMs) can effectively model data generated by HMMs via in-context learning (ICL)x2013their ability to infer patterns from examples within a prompt. On a diverse set of synthetic HMMs, LLMs achieve predictive accuracy approaching the theoretical optimum. We uncover novel scaling trends influenced by HMM properties, and offer theoretical conjectures for these empirical observations. We also provide practical guidelines for scientists on using ICL as a diagnostic tool for complex data. On real-world animal decision-making tasks, ICL achieves competitive performance with models designed by human experts. To our knowledge, this is the first demonstration that ICL can learn and predict HMM-generated sequencesx2013an advance that deepens our understanding of in-context learning in LLMs and establishes its potential as a powerful tool for uncovering hidden structure in complex scientific data.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

The automatic identification and analysis of pronunciation errors, known as Mispronunciation Detection and Diagnosis (MDD) plays a crucial role in Computer Aided Pronunciation Learning (CAPL) tools such as Second-Language (L2) learning or speech therapy applications. Existing MDD methods relying on analysing phonemes can only detect categorical errors of phonemes that have an adequate amount of training data to be modelled. With the unpredictable nature of the pronunciation errors of non-native or disordered speakers and the scarcity of training datasets, it is unfeasible to model all types of mispronunciations. Moreover, phoneme-level MDD approaches have a limited ability to provide detailed diagnostic information about the error made. In this paper, we propose a low-level MDD approach based on the detection of speech attribute features. Speech attribute features break down phoneme production into elementary components that are directly related to the articulatory system leading to more formative feedback to the learner. We further propose a multi-label variant of the Connectionist Temporal Classification (CTC) approach to jointly model the non-mutually exclusive speech attributes using a single model. The pre-trained wav2vec2 model was employed as a core model for the speech attribute detector. The proposed method was applied to L2 speech corpora collected from English learners from different native languages. The proposed speech attribute MDD method was further compared to the traditional phoneme-level MDD and achieved a significantly lower False Acceptance Rate (FAR), False Rejection Rate (FRR), and Diagnostic Error Rate (DER) over all speech attributes compared to the phoneme-level equivalent.

Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language's abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

The RNN transducer is a promising end-to-end model candidate. We compare the original training criterion with the full marginalization over all alignments, to the commonly used maximum approximation, which simplifies, improves and speeds up our training. We also generalize from the original neural network model and study more powerful models, made possible due to the maximum approximation. We further generalize the output label topology to cover RNN-T, RNA and CTC. We perform several studies among all these aspects, including a study on the effect of external alignments. We find that the transducer model generalizes much better on longer sequences than the attention model. Our final transducer model outperforms our attention model on Switchboard 300h by over 6% relative WER.

We explore a generative machine learning-based approach for estimating multi-dimensional probability density functions (PDFs) in a target sample using a statistically independent but related control sample - a common challenge in particle physics data analysis. The generative model must accurately reproduce individual observable distributions while preserving the correlations between them, based on the input multidimensional distribution from the control sample. Here we present a conditional normalizing flow model (CNF) based on a chain of bijectors which learns to transform unpaired simulation events to data events. We assess the performance of the CNF model in the context of LHC Higgs to diphoton analysis, where we use the CNF model to convert a Monte Carlo diphoton sample to one that models data. We show that the CNF model can accurately model complex data distributions and correlations. We also leverage the recently popularized Modified Differential Multiplier Method (MDMM) to improve the convergence of our model and assign physical meaning to usually arbitrary loss-function parameters.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

Discrete diffusion is a promising framework for modeling and generating discrete data. In this work, we present Target Concrete Score Matching (TCSM), a novel and versatile objective for training and fine-tuning discrete diffusion models. TCSM provides a general framework with broad applicability. It supports pre-training discrete diffusion models directly from data samples, and many existing discrete diffusion approaches naturally emerge as special cases of our more general TCSM framework. Furthermore, the same TCSM objective extends to post-training of discrete diffusion models, including fine-tuning using reward functions or preference data, and distillation of knowledge from pre-trained autoregressive models. These new capabilities stem from the core idea of TCSM, estimating the concrete score of the target distribution, which resides in the original (clean) data space. This allows seamless integration with reward functions and pre-trained models, which inherently only operate in the clean data space rather than the noisy intermediate spaces of diffusion processes. Our experiments on language modeling tasks demonstrate that TCSM matches or surpasses current methods. Additionally, TCSM is versatile, applicable to both pre-training and post-training scenarios, offering greater flexibility and sample efficiency.

Recent advances demonstrate that increasing inference-time computation can significantly boost the reasoning capabilities of large language models (LLMs). Although repeated sampling (i.e., generating multiple candidate outputs) is a highly effective strategy, it does not leverage external feedback signals for refinement, which are often available in tasks like coding. In this work, we propose Adaptive Branching Monte Carlo Tree Search (AB-MCTS), a novel inference-time framework that generalizes repeated sampling with principled multi-turn exploration and exploitation. At each node in the search tree, AB-MCTS dynamically decides whether to "go wider" by expanding new candidate responses or "go deeper" by revisiting existing ones based on external feedback signals. We evaluate our method on complex coding and engineering tasks using frontier models. Empirical results show that AB-MCTS consistently outperforms both repeated sampling and standard MCTS, underscoring the importance of combining the response diversity of LLMs with multi-turn solution refinement for effective inference-time scaling.

Transductive Few-Shot Learning (TFSL) has recently attracted increasing attention since it typically outperforms its inductive peer by leveraging statistics of query samples. However, previous TFSL methods usually encode uniform prior that all the classes within query samples are equally likely, which is biased in imbalanced TFSL and causes severe performance degradation. Given this pivotal issue, in this work, we propose a novel Conditional Transport (CT) based imbalanced TFSL model called {\textbf P}rototypes-oriented {\textbf U}nbiased {\textbf T}ransfer {\textbf M}odel (PUTM) to fully exploit unbiased statistics of imbalanced query samples, which employs forward and backward navigators as transport matrices to balance the prior of query samples per class between uniform and adaptive data-driven distributions. For efficiently transferring statistics learned by CT, we further derive a closed form solution to refine prototypes based on MAP given the learned navigators. The above two steps of discovering and transferring unbiased statistics follow an iterative manner, formulating our EM-based solver. Experimental results on four standard benchmarks including miniImageNet, tieredImageNet, CUB, and CIFAR-FS demonstrate superiority of our model in class-imbalanced generalization.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

Continual Pre-Training (CPT) has become a popular and effective method to apply strong foundation models to specific downstream tasks. In this work, we explore the learning dynamics throughout the CPT process for large language models. We specifically focus on how general and downstream domain performance evolves at each training step, with domain performance measured via validation losses. We have observed that the CPT loss curve fundamentally characterizes the transition from one curve to another hidden curve, and could be described by decoupling the effects of distribution shift and learning rate annealing. We derive a CPT scaling law that combines the two factors, enabling the prediction of loss at any (continual) training steps and across learning rate schedules (LRS) in CPT. Our formulation presents a comprehensive understanding of several critical factors in CPT, including loss potential, peak learning rate, training steps, replay ratio, etc. Moreover, our approach can be adapted to customize training hyper-parameters to different CPT goals such as balancing general and domain-specific performance. Extensive experiments demonstrate that our scaling law holds across various CPT datasets and training hyper-parameters.

Structured state-space models (SSMs) such as S4, stemming from the seminal work of Gu et al., are gaining popularity as effective approaches for modeling sequential data. Deep SSMs demonstrate outstanding performance across a diverse set of domains, at a reduced training and inference cost compared to attention-based transformers. Recent developments show that if the linear recurrence powering SSMs allows for multiplicative interactions between inputs and hidden states (e.g. GateLoop, Mamba, GLA), then the resulting architecture can surpass in both in accuracy and efficiency attention-powered foundation models trained on text, at scales of billion parameters. In this paper, we give theoretical grounding to this recent finding using tools from Rough Path Theory: we show that when random linear recurrences are equipped with simple input-controlled transitions (selectivity mechanism), then the hidden state is provably a low-dimensional projection of a powerful mathematical object called the signature of the input -- capturing non-linear interactions between tokens at distinct timescales. Our theory not only motivates the success of modern selective state-space models such as Mamba but also provides a solid framework to understand the expressive power of future SSM variants.

This review paper is intended for the 2nd edition of the Handbook of Markov chain Monte Carlo. We provide an introduction to approximate inference techniques as Bayesian computation methods applied to deep learning models. We organize the chapter by presenting popular computational methods for Bayesian neural networks and deep generative models, explaining their unique challenges in posterior inference as well as the solutions.

Recent advancements in reasoning with large language models (RLLMs), such as OpenAI-O1 and DeepSeek-R1, have demonstrated their impressive capabilities in complex domains like mathematics and coding. A central factor in their success lies in the application of long chain-of-thought (Long CoT) characteristics, which enhance reasoning abilities and enable the solution of intricate problems. However, despite these developments, a comprehensive survey on Long CoT is still lacking, limiting our understanding of its distinctions from traditional short chain-of-thought (Short CoT) and complicating ongoing debates on issues like "overthinking" and "test-time scaling." This survey seeks to fill this gap by offering a unified perspective on Long CoT. (1) We first distinguish Long CoT from Short CoT and introduce a novel taxonomy to categorize current reasoning paradigms. (2) Next, we explore the key characteristics of Long CoT: deep reasoning, extensive exploration, and feasible reflection, which enable models to handle more complex tasks and produce more efficient, coherent outcomes compared to the shallower Short CoT. (3) We then investigate key phenomena such as the emergence of Long CoT with these characteristics, including overthinking, and test-time scaling, offering insights into how these processes manifest in practice. (4) Finally, we identify significant research gaps and highlight promising future directions, including the integration of multi-modal reasoning, efficiency improvements, and enhanced knowledge frameworks. By providing a structured overview, this survey aims to inspire future research and further the development of logical reasoning in artificial intelligence.

Continual learning (CL) aims to continually accumulate knowledge from a non-stationary data stream without catastrophic forgetting of learned knowledge, requiring a balance between stability and adaptability. Relying on the generalizable representation in pre-trained models (PTMs), PTM-based CL methods perform effective continual adaptation on downstream tasks by adding learnable adapters or prompts upon the frozen PTMs. However, many existing PTM-based CL methods use restricted adaptation on a fixed set of these modules to avoid forgetting, suffering from limited CL ability. Periodically adding task-specific modules results in linear model growth rate and impaired knowledge reuse. We propose Self-Expansion of pre-trained models with Modularized Adaptation (SEMA), a novel approach to enhance the control of stability-plasticity balance in PTM-based CL. SEMA automatically decides to reuse or add adapter modules on demand in CL, depending on whether significant distribution shift that cannot be handled is detected at different representation levels. We design modular adapter consisting of a functional adapter and a representation descriptor. The representation descriptors are trained as a distribution shift indicator and used to trigger self-expansion signals. For better composing the adapters, an expandable weighting router is learned jointly for mixture of adapter outputs. SEMA enables better knowledge reuse and sub-linear expansion rate. Extensive experiments demonstrate the effectiveness of the proposed self-expansion method, achieving state-of-the-art performance compared to PTM-based CL methods without memory rehearsal. Code is available at https://github.com/huiyiwang01/SEMA-CL.

Continual Test-Time Adaptation (CTTA) seeks to adapt source pre-trained models to continually changing, unseen target domains. While existing CTTA methods assume structured domain changes with uniform durations, real-world environments often exhibit dynamic patterns where domains recur with varying frequencies and durations. Current approaches, which adapt the same parameters across different domains, struggle in such dynamic conditions-they face convergence issues with brief domain exposures, risk forgetting previously learned knowledge, or misapplying it to irrelevant domains. To remedy this, we propose DPCore, a method designed for robust performance across diverse domain change patterns while ensuring computational efficiency. DPCore integrates three key components: Visual Prompt Adaptation for efficient domain alignment, a Prompt Coreset for knowledge preservation, and a Dynamic Update mechanism that intelligently adjusts existing prompts for similar domains while creating new ones for substantially different domains. Extensive experiments on four benchmarks demonstrate that DPCore consistently outperforms various CTTA methods, achieving state-of-the-art performance in both structured and dynamic settings while reducing trainable parameters by 99% and computation time by 64% compared to previous approaches.

Deep Learning has revolutionized the fields of computer vision, natural language understanding, speech recognition, information retrieval and more. However, with the progressive improvements in deep learning models, their number of parameters, latency, resources required to train, etc. have all have increased significantly. Consequently, it has become important to pay attention to these footprint metrics of a model as well, not just its quality. We present and motivate the problem of efficiency in deep learning, followed by a thorough survey of the five core areas of model efficiency (spanning modeling techniques, infrastructure, and hardware) and the seminal work there. We also present an experiment-based guide along with code, for practitioners to optimize their model training and deployment. We believe this is the first comprehensive survey in the efficient deep learning space that covers the landscape of model efficiency from modeling techniques to hardware support. Our hope is that this survey would provide the reader with the mental model and the necessary understanding of the field to apply generic efficiency techniques to immediately get significant improvements, and also equip them with ideas for further research and experimentation to achieve additional gains.

Large Language Models (LLMs) are increasingly being used to simulate human-like decision making in agent-based financial market models (ABMs). As models become more powerful and accessible, researchers can now incorporate individual LLM decisions into ABM environments. However, integration may introduce inherent biases that need careful evaluation. In this paper we test three state-of-the-art GPT models for bias using two model sampling approaches: one-shot and few-shot API queries. We observe significant variations in distributions of outputs between specific models, and model sub versions, with GPT-4o-Mini-2024-07-18 showing notably better performance (32-43% yes responses) compared to GPT-4-0125-preview's extreme bias (98-99% yes responses). We show that sampling methods and model sub-versions significantly impact results: repeated independent API calls produce different distributions compared to batch sampling within a single call. While no current GPT model can simultaneously achieve a uniform distribution and Markovian properties in one-shot testing, few-shot sampling can approach uniform distributions under certain conditions. We explore the Temperature parameter, providing a definition and comparative results. We further compare our results to true random binary series and test specifically for the common human bias of Negative Recency - finding LLMs have a mixed ability to 'beat' humans in this one regard. These findings emphasise the critical importance of careful LLM integration into ABMs for financial markets and more broadly.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

Large Reasoning Models(LRMs) such as OpenAI o1 and DeepSeek-R1 have shown remarkable reasoning capabilities by scaling test-time compute and generating long Chain-of-Thought(CoT). Distillation--post-training on LRMs-generated data--is a straightforward yet effective method to enhance the reasoning abilities of smaller models, but faces a critical bottleneck: we found that distilled long CoT data poses learning difficulty for small models and leads to the inheritance of biases (i.e. over-thinking) when using Supervised Fine-tuning(SFT) and Reinforcement Learning(RL) methods. To alleviate this bottleneck, we propose constructing tree-based CoT data from scratch via Monte Carlo Tree Search(MCTS). We then exploit a set of CoT-aware approaches, including Thoughts Length Balance, Fine-grained DPO, and Joint Post-training Objective, to enhance SFT and RL on the construted data.

Short Text Classification (STC) is crucial for processing and understanding the brief but substantial content prevalent on contemporary digital platforms. The STC encounters difficulties in grasping the semantic and syntactic intricacies, an issue that is apparent in traditional pre-trained language models. Although Graph Convolutional Networks enhance performance by integrating external knowledge bases, these methods are limited by the quality and extent of the knowledge applied. Recently, the emergence of Large Language Models (LLMs) and Chain-of-Thought (CoT) has significantly improved the performance of complex reasoning tasks. However, some studies have highlighted the limitations of their application in fundamental NLP tasks. Consequently, this study first employs CoT to investigate and enhance the capabilities of LLMs in STC tasks. We propose the Syntactic and Semantic Enrichment CoT (SSE-CoT) method, effectively decomposing the STC tasks into four distinct steps: (i) essential concept identification, (ii) common-sense knowledge retrieval, (iii) text rewriting, and (iv) classification. Furthermore, recognizing resource constraints in sectors like finance and healthcare, we then introduce the CoT-Driven Multi-Task Learning (CDMT) framework to extend these capabilities to smaller models. This framework begins by extracting rationales from LLMs and subsequently fine-tunes smaller models to optimize their performance. Extensive experimentation across six short-text benchmarks validated the efficacy of the proposed methods. In particular, SSE-CoT achieved state-of-the-art performance with substantial improvements on all datasets, particularly on the Ohsumed and TagMyNews datasets.

Recent work on large language models relies on the intuition that most natural language processing tasks can be described via natural language instructions. Language models trained on these instructions show strong zero-shot performance on several standard datasets. However, these models even though impressive still perform poorly on a wide range of tasks outside of their respective training and evaluation sets. To address this limitation, we argue that a model should be able to keep extending its knowledge and abilities, without forgetting previous skills. In spite of the limited success of Continual Learning we show that Language Models can be continual learners. We empirically investigate the reason for this success and conclude that Continual Learning emerges from self-supervision pre-training. Our resulting model Continual-T0 (CT0) is able to learn diverse new tasks, while still maintaining good performance on previous tasks, spanning remarkably through 70 datasets in total. Finally, we show that CT0 is able to combine instructions in ways it was never trained for, demonstrating some compositionality.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Fine-tuning on generalized tasks such as instruction following, code generation, and mathematics has been shown to enhance language models' performance on a range of tasks. Nevertheless, explanations of how such fine-tuning influences the internal computations in these models remain elusive. We study how fine-tuning affects the internal mechanisms implemented in language models. As a case study, we explore the property of entity tracking, a crucial facet of language comprehension, where models fine-tuned on mathematics have substantial performance gains. We identify the mechanism that enables entity tracking and show that (i) in both the original model and its fine-tuned versions primarily the same circuit implements entity tracking. In fact, the entity tracking circuit of the original model on the fine-tuned versions performs better than the full original model. (ii) The circuits of all the models implement roughly the same functionality: Entity tracking is performed by tracking the position of the correct entity in both the original model and its fine-tuned versions. (iii) Performance boost in the fine-tuned models is primarily attributed to its improved ability to handle the augmented positional information. To uncover these findings, we employ: Patch Patching, DCM, which automatically detects model components responsible for specific semantics, and CMAP, a new approach for patching activations across models to reveal improved mechanisms. Our findings suggest that fine-tuning enhances, rather than fundamentally alters, the mechanistic operation of the model.

Probabilistic Circuits (PCs) are a unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries (e.g., marginal probabilities). One key challenge is to scale PCs to model large and high-dimensional real-world datasets: we observe that as the number of parameters in PCs increases, their performance immediately plateaus. This phenomenon suggests that the existing optimizers fail to exploit the full expressive power of large PCs. We propose to overcome such bottleneck by latent variable distillation: we leverage the less tractable but more expressive deep generative models to provide extra supervision over the latent variables of PCs. Specifically, we extract information from Transformer-based generative models to assign values to latent variables of PCs, providing guidance to PC optimizers. Experiments on both image and language modeling benchmarks (e.g., ImageNet and WikiText-2) show that latent variable distillation substantially boosts the performance of large PCs compared to their counterparts without latent variable distillation. In particular, on the image modeling benchmarks, PCs achieve competitive performance against some of the widely-used deep generative models, including variational autoencoders and flow-based models, opening up new avenues for tractable generative modeling.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

Generative modeling is widely regarded as one of the most essential problems in today's AI community, with text-to-image generation having gained unprecedented real-world impacts. Among various approaches, diffusion models have achieved remarkable success and have become the de facto solution for text-to-image generation. However, despite their impressive performance, these models exhibit fundamental limitations in adhering to numerical constraints in user instructions, frequently generating images with an incorrect number of objects. While several prior works have mentioned this issue, a comprehensive and rigorous evaluation of this limitation remains lacking. To address this gap, we introduce T2ICountBench, a novel benchmark designed to rigorously evaluate the counting ability of state-of-the-art text-to-image diffusion models. Our benchmark encompasses a diverse set of generative models, including both open-source and private systems. It explicitly isolates counting performance from other capabilities, provides structured difficulty levels, and incorporates human evaluations to ensure high reliability. Extensive evaluations with T2ICountBench reveal that all state-of-the-art diffusion models fail to generate the correct number of objects, with accuracy dropping significantly as the number of objects increases. Additionally, an exploratory study on prompt refinement demonstrates that such simple interventions generally do not improve counting accuracy. Our findings highlight the inherent challenges in numerical understanding within diffusion models and point to promising directions for future improvements.

We study how to train personalized models for different tasks on decentralized devices with limited local data. We propose "Structured Cooperative Learning (SCooL)", in which a cooperation graph across devices is generated by a graphical model prior to automatically coordinate mutual learning between devices. By choosing graphical models enforcing different structures, we can derive a rich class of existing and novel decentralized learning algorithms via variational inference. In particular, we show three instantiations of SCooL that adopt Dirac distribution, stochastic block model (SBM), and attention as the prior generating cooperation graphs. These EM-type algorithms alternate between updating the cooperation graph and cooperative learning of local models. They can automatically capture the cross-task correlations among devices by only monitoring their model updating in order to optimize the cooperation graph. We evaluate SCooL and compare it with existing decentralized learning methods on an extensive set of benchmarks, on which SCooL always achieves the highest accuracy of personalized models and significantly outperforms other baselines on communication efficiency. Our code is available at https://github.com/ShuangtongLi/SCooL.

The new paradigm of test-time scaling has yielded remarkable breakthroughs in Large Language Models (LLMs) (e.g. reasoning models) and in generative vision models, allowing models to allocate additional computation during inference to effectively tackle increasingly complex problems. Despite the improvements of this approach, an important limitation emerges: the substantial increase in computation time makes the process slow and impractical for many applications. Given the success of this paradigm and its growing usage, we seek to preserve its benefits while eschewing the inference overhead. In this work we propose one solution to the critical problem of integrating test-time scaling knowledge into a model during post-training. Specifically, we replace reward guided test-time noise optimization in diffusion models with a Noise Hypernetwork that modulates initial input noise. We propose a theoretically grounded framework for learning this reward-tilted distribution for distilled generators, through a tractable noise-space objective that maintains fidelity to the base model while optimizing for desired characteristics. We show that our approach recovers a substantial portion of the quality gains from explicit test-time optimization at a fraction of the computational cost. Code is available at https://github.com/ExplainableML/HyperNoise

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Long chain-of-thought (CoT) is an essential ingredient in effective usage of modern large language models, but our understanding of the reasoning strategies underlying these capabilities remains limited. While some prior works have attempted to categorize CoTs using predefined strategy types, such approaches are constrained by human intuition and fail to capture the full diversity of model behaviors. In this work, we introduce the CoT Encyclopedia, a bottom-up framework for analyzing and steering model reasoning. Our method automatically extracts diverse reasoning criteria from model-generated CoTs, embeds them into a semantic space, clusters them into representative categories, and derives contrastive rubrics to interpret reasoning behavior. Human evaluations show that this framework produces more interpretable and comprehensive analyses than existing methods. Moreover, we demonstrate that this understanding enables performance gains: we can predict which strategy a model is likely to use and guide it toward more effective alternatives. Finally, we provide practical insights, such as that training data format (e.g., free-form vs. multiple-choice) has a far greater impact on reasoning behavior than data domain, underscoring the importance of format-aware model design.

Chain-of-Thought (CoT) reasoning has been extensively explored in large models to tackle complex understanding tasks. However, it still remains an open question whether such strategies can be applied to verifying and reinforcing image generation scenarios. In this paper, we provide the first comprehensive investigation of the potential of CoT reasoning to enhance autoregressive image generation. We focus on three techniques: scaling test-time computation for verification, aligning model preferences with Direct Preference Optimization (DPO), and integrating these techniques for complementary effects. Our results demonstrate that these approaches can be effectively adapted and combined to significantly improve image generation performance. Furthermore, given the pivotal role of reward models in our findings, we propose the Potential Assessment Reward Model (PARM) and PARM++, specialized for autoregressive image generation. PARM adaptively assesses each generation step through a potential assessment approach, merging the strengths of existing reward models, and PARM++ further introduces a reflection mechanism to self-correct the generated unsatisfactory image. Using our investigated reasoning strategies, we enhance a baseline model, Show-o, to achieve superior results, with a significant +24% improvement on the GenEval benchmark, surpassing Stable Diffusion 3 by +15%. We hope our study provides unique insights and paves a new path for integrating CoT reasoning with autoregressive image generation. Code and models are released at https://github.com/ZiyuGuo99/Image-Generation-CoT

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.

In Retrieval-Augmented Generation (RAG) and agent-based frameworks, the "Chain of Models" approach is widely used, where multiple specialized models work sequentially on distinct sub-tasks. This approach is effective but increases resource demands as each model must be deployed separately. Recent advancements attempt to address this by applying prompt tuning, which allows a shared base model to adapt to multiple tasks with minimal parameter changes. However, a key challenge remains: intermediate outputs, passed between models as plain text, require recomputation of hidden states (i.e., Key and Value (KV) states in Transformers) during inference. In this paper, we introduce FTHSS, a novel prompt-tuning method that enables models to share KV hidden states, eliminating redundant forward passes and reducing KV cache storage. By modifying input and attention masks during training, FTHSS allows models to effectively utilize KV hidden states from prior models in both single- and multi-round scenarios. Empirical results on four tasks show that FTHSS matches the performance of traditional model chains while improving inference efficiency.

This work explores the in-context learning capabilities of State Space Models (SSMs) and presents, to the best of our knowledge, the first theoretical explanation of a possible underlying mechanism. We introduce a novel weight construction for SSMs, enabling them to predict the next state of any dynamical system after observing previous states without parameter fine-tuning. This is accomplished by extending the HiPPO framework to demonstrate that continuous SSMs can approximate the derivative of any input signal. Specifically, we find an explicit weight construction for continuous SSMs and provide an asymptotic error bound on the derivative approximation. The discretization of this continuous SSM subsequently yields a discrete SSM that predicts the next state. Finally, we demonstrate the effectiveness of our parameterization empirically. This work should be an initial step toward understanding how sequence models based on SSMs learn in context.

Memory-based meta-learning is a technique for approximating Bayes-optimal predictors. Under fairly general conditions, minimizing sequential prediction error, measured by the log loss, leads to implicit meta-learning. The goal of this work is to investigate how far this interpretation can be realized by current sequence prediction models and training regimes. The focus is on piecewise stationary sources with unobserved switching-points, which arguably capture an important characteristic of natural language and action-observation sequences in partially observable environments. We show that various types of memory-based neural models, including Transformers, LSTMs, and RNNs can learn to accurately approximate known Bayes-optimal algorithms and behave as if performing Bayesian inference over the latent switching-points and the latent parameters governing the data distribution within each segment.

Model compression methods can reduce model complexity on the premise of maintaining acceptable performance, and thus promote the application of deep neural networks under resource constrained environments. Despite their great success, the selection of suitable compression methods and design of details of the compression scheme are difficult, requiring lots of domain knowledge as support, which is not friendly to non-expert users. To make more users easily access to the model compression scheme that best meet their needs, in this paper, we propose AutoMC, an effective automatic tool for model compression. AutoMC builds the domain knowledge on model compression to deeply understand the characteristics and advantages of each compression method under different settings. In addition, it presents a progressive search strategy to efficiently explore pareto optimal compression scheme according to the learned prior knowledge combined with the historical evaluation information. Extensive experimental results show that AutoMC can provide satisfying compression schemes within short time, demonstrating the effectiveness of AutoMC.

For most deep learning practitioners, sequence modeling is synonymous with recurrent networks. Yet recent results indicate that convolutional architectures can outperform recurrent networks on tasks such as audio synthesis and machine translation. Given a new sequence modeling task or dataset, which architecture should one use? We conduct a systematic evaluation of generic convolutional and recurrent architectures for sequence modeling. The models are evaluated across a broad range of standard tasks that are commonly used to benchmark recurrent networks. Our results indicate that a simple convolutional architecture outperforms canonical recurrent networks such as LSTMs across a diverse range of tasks and datasets, while demonstrating longer effective memory. We conclude that the common association between sequence modeling and recurrent networks should be reconsidered, and convolutional networks should be regarded as a natural starting point for sequence modeling tasks. To assist related work, we have made code available at http://github.com/locuslab/TCN .

In this work, we introduce CAD-Coder, a novel framework that reformulates text-to-CAD as the generation of CadQuery scripts - a Python-based, parametric CAD language. This representation enables direct geometric validation, a richer modeling vocabulary, and seamless integration with existing LLMs. To further enhance code validity and geometric fidelity, we propose a two-stage learning pipeline: (1) supervised fine-tuning on paired text-CadQuery data, and (2) reinforcement learning with Group Reward Policy Optimization (GRPO), guided by a CAD-specific reward comprising both a geometric reward (Chamfer Distance) and a format reward. We also introduce a chain-of-thought (CoT) planning process to improve model reasoning, and construct a large-scale, high-quality dataset of 110K text-CadQuery-3D model triplets and 1.5K CoT samples via an automated pipeline. Extensive experiments demonstrate that CAD-Coder enables LLMs to generate diverse, valid, and complex CAD models directly from natural language, advancing the state of the art of text-to-CAD generation and geometric reasoning.

Large language models (LLMs) have demonstrated remarkable abilities in representation learning for program synthesis and understanding tasks. The quality of the learned representations appears to be dictated by the neural scaling laws as a function of the number of model parameters and observations, while imposing upper bounds on the model performance by the amount of available data and compute, which is costly. In this study, we attempt to render the training of LLMs for program synthesis more efficient by unifying four key components: (1) model architectures, (2) learning methods, (3) infill sampling, and, (4) data distributions. Specifically, for the model architecture, we attempt to unify encoder and decoder-based models into a single prefix-LM. For learning methods, (i) causal language modeling, (ii) span corruption, (iii) infilling are unified into a simple learning algorithm. For infill sampling, we explore the claim of a "free lunch" hypothesis. For data distributions, the effect of a mixture distribution of programming and natural languages on model performance is explored. We conduct a comprehensive series of empirical experiments on 1B LLMs, for which failures and successes of this exploration are distilled into four lessons. We will provide a final recipe for training and release CodeGen2 models in size 1B, 3.7B, 7B, and, 16B parameters, along with the training framework as open-source: https://github.com/salesforce/CodeGen2.

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps toward answering this question. We evaluate twelve model architectures capable of causal language modeling across a suite of synthetic in-context learning tasks. These selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, state-space model inspired, and other emerging attention alternatives. We discover that all the considered architectures can perform in-context learning under a wider range of conditions than previously documented. Additionally, we observe stark differences in statistical efficiency and consistency by varying context length and task difficulty. We also measure each architecture's predisposition towards in-context learning when presented with alternative routes for task resolution. Finally, and somewhat surprisingly, we find that several attention alternatives are more robust in-context learners than transformers. Given that such approaches have constant-sized memory footprints at inference time, this result opens the possibility of scaling up in-context learning to accommodate vastly larger numbers of in-context examples.

Modern techniques like contrastive learning have been effectively used in many areas, including computer vision, natural language processing, and graph-structured data. Creating positive examples that assist the model in learning robust and discriminative representations is a crucial stage in contrastive learning approaches. Usually, preset human intuition directs the selection of relevant data augmentations. Due to patterns that are easily recognized by humans, this rule of thumb works well in the vision and language domains. However, it is impractical to visually inspect the temporal structures in time series. The diversity of time series augmentations at both the dataset and instance levels makes it difficult to choose meaningful augmentations on the fly. In this study, we address this gap by analyzing time series data augmentation using information theory and summarizing the most commonly adopted augmentations in a unified format. We then propose a contrastive learning framework with parametric augmentation, AutoTCL, which can be adaptively employed to support time series representation learning. The proposed approach is encoder-agnostic, allowing it to be seamlessly integrated with different backbone encoders. Experiments on univariate forecasting tasks demonstrate the highly competitive results of our method, with an average 6.5\% reduction in MSE and 4.7\% in MAE over the leading baselines. In classification tasks, AutoTCL achieves a 1.2% increase in average accuracy.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success and become a milestone in the field of artificial intelligence (AI). Owing to sophisticated pre-training objectives and huge model parameters, large-scale PTMs can effectively capture knowledge from massive labeled and unlabeled data. By storing knowledge into huge parameters and fine-tuning on specific tasks, the rich knowledge implicitly encoded in huge parameters can benefit a variety of downstream tasks, which has been extensively demonstrated via experimental verification and empirical analysis. It is now the consensus of the AI community to adopt PTMs as backbone for downstream tasks rather than learning models from scratch. In this paper, we take a deep look into the history of pre-training, especially its special relation with transfer learning and self-supervised learning, to reveal the crucial position of PTMs in the AI development spectrum. Further, we comprehensively review the latest breakthroughs of PTMs. These breakthroughs are driven by the surge of computational power and the increasing availability of data, towards four important directions: designing effective architectures, utilizing rich contexts, improving computational efficiency, and conducting interpretation and theoretical analysis. Finally, we discuss a series of open problems and research directions of PTMs, and hope our view can inspire and advance the future study of PTMs.

Large language models have transformed natural language processing, yet supervised fine-tuning (SFT) remains computationally intensive. This paper formally proves that capabilities acquired through SFT can be approximated by a base transformer model using inference-time techniques, specifically in-context learning (ICL), without altering model parameters, under idealized assumptions including unbounded computational resources and access to the fine-tuning dataset. We extend these results to practical scenarios with finite context lengths and partial dataset access. For text generation tasks with fixed output length l, datasets of size Oleft( m V{varepsilon^2} log m{delta} right) or, with bounded context, Oleft( l log V{varepsilon^2} log 1{delta} right) suffice to approximate fine-tuned behavior across m contexts within error varepsilon, where V is the vocabulary size and delta is the failure probability. For linear classification, datasets of size Oleft( d{varepsilon} right) or, with fixed context, Oleft( 1{varepsilon^2} log 1{delta} right) are sufficient, where d is the input dimension. Grounded in the Turing completeness of transformers, these results provide a theoretical foundation for resource-efficient deployment of large language models, with practical techniques like retrieval-augmented generation bridging theory to real-world applications.

Sparse expert models are a thirty-year old concept re-emerging as a popular architecture in deep learning. This class of architecture encompasses Mixture-of-Experts, Switch Transformers, Routing Networks, BASE layers, and others, all with the unifying idea that each example is acted on by a subset of the parameters. By doing so, the degree of sparsity decouples the parameter count from the compute per example allowing for extremely large, but efficient models. The resulting models have demonstrated significant improvements across diverse domains such as natural language processing, computer vision, and speech recognition. We review the concept of sparse expert models, provide a basic description of the common algorithms, contextualize the advances in the deep learning era, and conclude by highlighting areas for future work.

We introduce a novel machine learning model for credit risk by combining tree-boosting with a latent spatio-temporal Gaussian process model accounting for frailty correlation. This allows for modeling non-linearities and interactions among predictor variables in a flexible data-driven manner and for accounting for spatio-temporal variation that is not explained by observable predictor variables. We also show how estimation and prediction can be done in a computationally efficient manner. In an application to a large U.S. mortgage credit risk data set, we find that both predictive default probabilities for individual loans and predictive loan portfolio loss distributions obtained with our novel approach are more accurate compared to conventional independent linear hazard models and also linear spatio-temporal models. Using interpretability tools for machine learning models, we find that the likely reasons for this outperformance are strong interaction and non-linear effects in the predictor variables and the presence of large spatio-temporal frailty effects.

State Space Models (SSMs) have recently emerged as efficient alternatives to Transformer-Based Models (TBMs) for long-sequence processing, offering linear scaling and lower memory use. Yet, how contextual information flows across layers and tokens in these architectures remains understudied. We present the first unified, token- and layer-level analysis of representation propagation in SSMs and TBMs. Using centered kernel alignment, stability metrics, and probing, we characterize how representations evolve within and across layers. We find a key divergence: TBMs rapidly homogenize token representations, with diversity reemerging only in later layers, while SSMs preserve token uniqueness early but converge to homogenization deeper. Theoretical analysis and parameter randomization further reveal that oversmoothing in TBMs stems from architectural design, whereas in SSMs it arises mainly from training dynamics. These insights clarify the inductive biases of both architectures and inform future model and training designs for long-context reasoning.

We introduce Masked Trajectory Models (MTM) as a generic abstraction for sequential decision making. MTM takes a trajectory, such as a state-action sequence, and aims to reconstruct the trajectory conditioned on random subsets of the same trajectory. By training with a highly randomized masking pattern, MTM learns versatile networks that can take on different roles or capabilities, by simply choosing appropriate masks at inference time. For example, the same MTM network can be used as a forward dynamics model, inverse dynamics model, or even an offline RL agent. Through extensive experiments in several continuous control tasks, we show that the same MTM network -- i.e. same weights -- can match or outperform specialized networks trained for the aforementioned capabilities. Additionally, we find that state representations learned by MTM can significantly accelerate the learning speed of traditional RL algorithms. Finally, in offline RL benchmarks, we find that MTM is competitive with specialized offline RL algorithms, despite MTM being a generic self-supervised learning method without any explicit RL components. Code is available at https://github.com/facebookresearch/mtm

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

The recent integration of deep learning and pairwise similarity annotation-based constrained clustering -- i.e., deep constrained clustering (DCC) -- has proven effective for incorporating weak supervision into massive data clustering: Less than 1% of pair similarity annotations can often substantially enhance the clustering accuracy. However, beyond empirical successes, there is a lack of understanding of DCC. In addition, many DCC paradigms are sensitive to annotation noise, but performance-guaranteed noisy DCC methods have been largely elusive. This work first takes a deep look into a recently emerged logistic loss function of DCC, and characterizes its theoretical properties. Our result shows that the logistic DCC loss ensures the identifiability of data membership under reasonable conditions, which may shed light on its effectiveness in practice. Building upon this understanding, a new loss function based on geometric factor analysis is proposed to fend against noisy annotations. It is shown that even under unknown annotation confusions, the data membership can still be provably identified under our proposed learning criterion. The proposed approach is tested over multiple datasets to validate our claims.

In this paper, we conduct a comprehensive study of In-Context Learning (ICL) by addressing several open questions: (a) What type of ICL estimator is learned by large language models? (b) What is a proper performance metric for ICL and what is the error rate? (c) How does the transformer architecture enable ICL? To answer these questions, we adopt a Bayesian view and formulate ICL as a problem of predicting the response corresponding to the current covariate, given a number of examples drawn from a latent variable model. To answer (a), we show that, without updating the neural network parameters, ICL implicitly implements the Bayesian model averaging algorithm, which is proven to be approximately parameterized by the attention mechanism. For (b), we analyze the ICL performance from an online learning perspective and establish a O(1/T) regret bound for perfectly pretrained ICL, where T is the number of examples in the prompt. To answer (c), we show that, in addition to encoding Bayesian model averaging via attention, the transformer architecture also enables a fine-grained statistical analysis of pretraining under realistic assumptions. In particular, we prove that the error of pretrained model is bounded by a sum of an approximation error and a generalization error, where the former decays to zero exponentially as the depth grows, and the latter decays to zero sublinearly with the number of tokens in the pretraining dataset. Our results provide a unified understanding of the transformer and its ICL ability with bounds on ICL regret, approximation, and generalization, which deepens our knowledge of these essential aspects of modern language models.

Although autoregressive models have dominated language modeling in recent years, there has been a growing interest in exploring alternative paradigms to the conventional next-token prediction framework. Diffusion-based language models have emerged as a compelling alternative due to their powerful parallel generation capabilities and inherent editability. However, these models are often constrained by fixed-length generation. A promising direction is to combine the strengths of both paradigms, segmenting sequences into blocks, modeling autoregressive dependencies across blocks while leveraging discrete diffusion to estimate the conditional distribution within each block given the preceding context. Nevertheless, their practical application is often hindered by two key limitations: rigid fixed-length outputs and a lack of flexible control mechanisms. In this work, we address the critical limitations of fixed granularity and weak controllability in current large diffusion language models. We propose CtrlDiff, a dynamic and controllable semi-autoregressive framework that adaptively determines the size of each generation block based on local semantics using reinforcement learning. Furthermore, we introduce a classifier-guided control mechanism tailored to discrete diffusion, which significantly reduces computational overhead while facilitating efficient post-hoc conditioning without retraining. Extensive experiments demonstrate that CtrlDiff sets a new standard among hybrid diffusion models, narrows the performance gap to state-of-the-art autoregressive approaches, and enables effective conditional text generation across diverse tasks.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

Deep neural networks, including transformers and convolutional neural networks, have significantly improved multivariate time series classification (MTSC). However, these methods often rely on supervised learning, which does not fully account for the sparsity and locality of patterns in time series data (e.g., diseases-related anomalous points in ECG). To address this challenge, we formally reformulate MTSC as a weakly supervised problem, introducing a novel multiple-instance learning (MIL) framework for better localization of patterns of interest and modeling time dependencies within time series. Our novel approach, TimeMIL, formulates the temporal correlation and ordering within a time-aware MIL pooling, leveraging a tokenized transformer with a specialized learnable wavelet positional token. The proposed method surpassed 26 recent state-of-the-art methods, underscoring the effectiveness of the weakly supervised TimeMIL in MTSC. The code will be available at https://github.com/xiwenc1/TimeMIL.

Time series anomaly detection (TSAD) is a critical task, but developing models that generalize to unseen data in a zero-shot manner remains a major challenge. Prevailing foundation models for TSAD predominantly rely on reconstruction-based objectives, which suffer from a fundamental objective mismatch: they struggle to identify subtle anomalies while often misinterpreting complex normal patterns, leading to high rates of false negatives and positives. To overcome these limitations, we introduce TimeRCD, a novel foundation model for TSAD built upon a new pre-training paradigm: Relative Context Discrepancy (RCD). Instead of learning to reconstruct inputs, TimeRCD is explicitly trained to identify anomalies by detecting significant discrepancies between adjacent time windows. This relational approach, implemented with a standard Transformer architecture, enables the model to capture contextual shifts indicative of anomalies that reconstruction-based methods often miss. To facilitate this paradigm, we develop a large-scale, diverse synthetic corpus with token-level anomaly labels, providing the rich supervisory signal necessary for effective pre-training. Extensive experiments demonstrate that TimeRCD significantly outperforms existing general-purpose and anomaly-specific foundation models in zero-shot TSAD across diverse datasets. Our results validate the superiority of the RCD paradigm and establish a new, effective path toward building robust and generalizable foundation models for time series anomaly detection.

Recently, Stitchable Neural Networks (SN-Net) is proposed to stitch some pre-trained networks for quickly building numerous networks with different complexity and performance trade-offs. In this way, the burdens of designing or training the variable-sized networks, which can be used in application scenarios with diverse resource constraints, are alleviated. However, SN-Net still faces a few challenges. 1) Stitching from multiple independently pre-trained anchors introduces high storage resource consumption. 2) SN-Net faces challenges to build smaller models for low resource constraints. 3). SN-Net uses an unlearned initialization method for stitch layers, limiting the final performance. To overcome these challenges, motivated by the recently proposed Learngene framework, we propose a novel method called Learngene Pool. Briefly, Learngene distills the critical knowledge from a large pre-trained model into a small part (termed as learngene) and then expands this small part into a few variable-sized models. In our proposed method, we distill one pretrained large model into multiple small models whose network blocks are used as learngene instances to construct the learngene pool. Since only one large model is used, we do not need to store more large models as SN-Net and after distilling, smaller learngene instances can be created to build small models to satisfy low resource constraints. We also insert learnable transformation matrices between the instances to stitch them into variable-sized models to improve the performance of these models. Exhaustive experiments have been implemented and the results validate the effectiveness of the proposed Learngene Pool compared with SN-Net.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

Chain-of-thought (CoT) prompting enables large language models (LLMs) to solve complex reasoning tasks by generating an explanation before the final prediction. Despite it's promising ability, a critical downside of CoT prompting is that the performance is greatly affected by the factuality of the generated explanation. To improve the correctness of the explanations, fine-tuning language models with explanation data is needed. However, there exists only a few datasets that can be used for such approaches, and no data collection tool for building them. Thus, we introduce CoTEVer, a tool-kit for annotating the factual correctness of generated explanations and collecting revision data of wrong explanations. Furthermore, we suggest several use cases where the data collected with CoTEVer can be utilized for enhancing the faithfulness of explanations. Our toolkit is publicly available at https://github.com/SeungoneKim/CoTEVer.

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

With tremendous efforts on developing effective e-commerce models, conventional e-commerce models show limited success in generalist e-commerce modeling, and suffer from unsatisfactory performance on new users and new products - a typical out-of-domain generalization challenge. Meanwhile, large language models (LLMs) demonstrate outstanding performance in generalist modeling and out-of-domain generalizability in many fields. Toward fully unleashing their power for e-commerce, in this paper, we construct ECInstruct, the first open-sourced, large-scale, and high-quality benchmark instruction dataset for e-commerce. Leveraging ECInstruct, we develop eCeLLM, a series of e-commerce LLMs, by instruction-tuning general-purpose LLMs. Our comprehensive experiments and evaluation demonstrate that eCeLLM models substantially outperform baseline models, including the most advanced GPT-4, and the state-of-the-art task-specific models in in-domain evaluation. Moreover, eCeLLM exhibits excellent generalizability to out-of-domain settings, including unseen products and unseen instructions, highlighting its superiority as a generalist e-commerce model. Both the ECInstruct dataset and the eCeLLM models show great potential in empowering versatile and effective LLMs for e-commerce. ECInstruct and eCeLLM models are publicly accessible through https://ninglab.github.io/eCeLLM.

Most currently deployed large language models (LLMs) undergo continuous training or additional finetuning. By contrast, most research into LLMs' internal mechanisms focuses on models at one snapshot in time (the end of pre-training), raising the question of whether their results generalize to real-world settings. Existing studies of mechanisms over time focus on encoder-only or toy models, which differ significantly from most deployed models. In this study, we track how model mechanisms, operationalized as circuits, emerge and evolve across 300 billion tokens of training in decoder-only LLMs, in models ranging from 70 million to 2.8 billion parameters. We find that task abilities and the functional components that support them emerge consistently at similar token counts across scale. Moreover, although such components may be implemented by different attention heads over time, the overarching algorithm that they implement remains. Surprisingly, both these algorithms and the types of components involved therein can replicate across model scale. These results suggest that circuit analyses conducted on small models at the end of pre-training can provide insights that still apply after additional pre-training and over model scale.

Quantitative tools are increasingly appealing for decision support in healthcare, driven by the growing capabilities of advanced AI systems. However, understanding the predictive uncertainties surrounding a tool's output is crucial for decision-makers to ensure reliable and transparent decisions. In this paper, we present a case study on pulmonary nodule detection for lung cancer screening, enhancing an advanced detection model with an uncertainty quantification technique called conformal risk control (CRC). We demonstrate that prediction sets with conformal guarantees are attractive measures of predictive uncertainty in the safety-critical healthcare domain, allowing end-users to achieve arbitrary validity by trading off false positives and providing formal statistical guarantees on model performance. Among ground-truth nodules annotated by at least three radiologists, our model achieves a sensitivity that is competitive with that generally achieved by individual radiologists, with a slight increase in false positives. Furthermore, we illustrate the risks of using off-the-shelve prediction models when faced with ontological uncertainty, such as when radiologists disagree on what constitutes the ground truth on pulmonary nodules.

Recent works have shown that chain-of-thought (CoT) prompting can elicit language models to solve complex reasoning tasks, step-by-step. However, prompt-based CoT methods are dependent on very large models such as GPT-3 175B which are prohibitive to deploy at scale. In this paper, we use these large models as reasoning teachers to enable complex reasoning in smaller models and reduce model size requirements by several orders of magnitude. We propose Fine-tune-CoT, a method that generates reasoning samples from very large teacher models to fine-tune smaller models. We evaluate our method on a wide range of public models and complex tasks. We find that Fine-tune-CoT enables substantial reasoning capability in small models, far outperforming prompt-based baselines and even the teacher model in many tasks. Additionally, we extend our method by leveraging the teacher model's ability to generate multiple distinct rationales for each original sample. Enriching the fine-tuning data with such diverse reasoning results in a substantial performance boost across datasets, even for very small models. We conduct ablations and sample studies to understand the emergence of reasoning capabilities of student models. Our code implementation and data are available at https://github.com/itsnamgyu/reasoning-teacher.

Large language models (LLMs) excel at complex reasoning when they include intermediate steps, known as "chains of thought" (CoTs). However, these rationales are often overly verbose, even for simple problems, leading to wasted context, increased latency, and higher energy consumption. We observe that verbose, English-heavy CoTs and concise, math-centric CoTs occupy distinct regions in the model's residual-stream activation space. By extracting and injecting a "steering vector" to transition between these modes, we can reliably shift generation toward more concise reasoning, effectively compressing CoTs without retraining. We formalize this approach as Activation-Steered Compression (ASC), an inference-time technique that shortens reasoning traces by directly modifying hidden representations. In addition, we provide a theoretical analysis of the impact of ASC on the output distribution, derived from a closed-form KL-divergence-bounded constraint to regulate steering strength. Using only 100 paired verbose and concise examples, ASC achieves up to 67.43% reduction in CoT length on MATH500 and GSM8K datasets, while maintaining accuracy across 7B, 8B, and 32B parameter models. As a training-free method, ASC introduces negligible runtime overhead and, on MATH500, delivers an average 2.73x speedup in end-to-end reasoning wall-clock time on an 8B model. This makes ASC a practical and efficient tool for streamlining the deployment of reasoning-capable LLMs in latency- or cost-sensitive settings. The code is available at: https://github.com/ArminAzizi98/ASC

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal scheduling of the update rule for the synaptic weights leads to an algorithm that is much more efficient and stable than the original one, and has theoretical guarantees in terms of convergence. The proposed algorithm, that we call incremental predictive coding (iPC) is also more biologically plausible than the original one, as it it fully automatic. In an extensive set of experiments, we show that iPC constantly performs better than the original formulation on a large number of benchmarks for image classification, as well as for the training of both conditional and masked language models, in terms of test accuracy, efficiency, and convergence with respect to a large set of hyperparameters.

Keeping large foundation models up to date on latest data is inherently expensive. To avoid the prohibitive costs of constantly retraining, it is imperative to continually train these models. This problem is exacerbated by the lack of any large scale continual learning benchmarks or baselines. We introduce the first set of web-scale Time-Continual (TiC) benchmarks for training vision-language models: TiC-DataCompt, TiC-YFCC, and TiC-RedCaps with over 12.7B timestamped image-text pairs spanning 9 years (2014--2022). We first use our benchmarks to curate various dynamic evaluations to measure temporal robustness of existing models. We show OpenAI's CLIP (trained on data up to 2020) loses approx 8% zero-shot accuracy on our curated retrieval task from 2021--2022 compared with more recently trained models in OpenCLIP repository. We then study how to efficiently train models on time-continuous data. We demonstrate that a simple rehearsal-based approach that continues training from the last checkpoint and replays old data reduces compute by 2.5times when compared to the standard practice of retraining from scratch.