Daily Papers

Large language models (LLMs) require significant memory to store Key-Value (KV) embeddings in their KV cache, especially when handling long-range contexts. Quantization of these KV embeddings is a common technique to reduce memory consumption. This work introduces PolarQuant, a novel quantization method employing random preconditioning and polar transformation. Our method transforms the KV embeddings into polar coordinates using an efficient recursive algorithm and then quantizes resulting angles. Our key insight is that, after random preconditioning, the angles in the polar representation exhibit a tightly bounded and highly concentrated distribution with an analytically computable form. This nice distribution eliminates the need for explicit normalization, a step required by traditional quantization methods which introduces significant memory overhead because quantization parameters (e.g., zero point and scale) must be stored in full precision per each data block. PolarQuant bypasses this normalization step, enabling substantial memory savings. The long-context evaluation demonstrates that PolarQuant compresses the KV cache by over x4.2 while achieving the best quality scores compared to the state-of-the-art methods.

We show that preconditioners constructed by random sampling can perform well without meeting the standard requirements of iterative methods. When applied to graph Laplacians, this leads to ultra-sparsifiers that in expectation behave as the nearly-optimal ones given by [Kolla-Makarychev-Saberi-Teng STOC`10]. Combining this with the recursive preconditioning framework by [Spielman-Teng STOC`04] and improved embedding algorithms, this leads to algorithms that solve symmetric diagonally dominant linear systems and electrical flow problems in expected time close to mlog^{1/2}n .

We propose ScaledGD(\lambda), a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, ScaledGD(\lambda) starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, ScaledGD(\lambda) is remarkably robust to ill-conditioning compared to vanilla gradient descent (GD) even with overprameterization. Specifically, we show that, under the Gaussian design, ScaledGD(\lambda) converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla GD which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Preconditioned gradient methods are among the most general and powerful tools in optimization. However, preconditioning requires storing and manipulating prohibitively large matrices. We describe and analyze a new structure-aware preconditioning algorithm, called Shampoo, for stochastic optimization over tensor spaces. Shampoo maintains a set of preconditioning matrices, each of which operates on a single dimension, contracting over the remaining dimensions. We establish convergence guarantees in the stochastic convex setting, the proof of which builds upon matrix trace inequalities. Our experiments with state-of-the-art deep learning models show that Shampoo is capable of converging considerably faster than commonly used optimizers. Although it involves a more complex update rule, Shampoo's runtime per step is comparable to that of simple gradient methods such as SGD, AdaGrad, and Adam.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

Efficient numerical solvers for partial differential equations empower science and engineering. One of the commonly employed numerical solvers is the preconditioned conjugate gradient (PCG) algorithm which can solve large systems to a given precision level. One challenge in PCG solvers is the selection of preconditioners, as different problem-dependent systems can benefit from different preconditioners. We present a new method to introduce inductive bias in preconditioning conjugate gradient algorithm. Given a system matrix and a set of solution vectors arise from an underlying distribution, we train a graph neural network to obtain an approximate decomposition to the system matrix to be used as a preconditioner in the context of PCG solvers. We conduct extensive experiments to demonstrate the efficacy and generalizability of our proposed approach in solving various 2D and 3D linear second-order PDEs.

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

Preconditioning is at the heart of iterative solutions of large, sparse linear systems of equations in scientific disciplines. Several algebraic approaches, which access no information beyond the matrix itself, are widely studied and used, but ill-conditioned matrices remain very challenging. We take a machine learning approach and propose using graph neural networks as a general-purpose preconditioner. They show attractive performance for many problems and can be used when the mainstream preconditioners perform poorly. Empirical evaluation on over 800 matrices suggests that the construction time of these graph neural preconditioners (GNPs) is more predictable and can be much shorter than that of other widely used ones, such as ILU and AMG, while the execution time is faster than using a Krylov method as the preconditioner, such as in inner-outer GMRES. GNPs have a strong potential for solving large-scale, challenging algebraic problems arising from not only partial differential equations, but also economics, statistics, graph, and optimization, to name a few.

Orthogonality-based optimizers, such as Muon, have recently shown strong performance across large-scale training and community-driven efficiency challenges. However, these methods rely on a costly gradient orthogonalization step. Even efficient iterative approximations such as Newton-Schulz remain expensive, typically requiring dozens of matrix multiplications to converge. We introduce a preconditioning procedure that accelerates Newton-Schulz convergence and reduces its computational cost. We evaluate its impact and show that the overhead of our preconditioning can be made negligible. Furthermore, the faster convergence it enables allows us to remove one iteration out of the usual five without degrading approximation quality. Our publicly available implementation achieves up to a 2.8x speedup in the Newton-Schulz approximation. We also show that this has a direct impact on end-to-end training runtime with 5-10% improvement in realistic training scenarios across two efficiency-focused tasks. On challenging language or vision tasks, we validate that our method maintains equal or superior model performance while improving runtime. Crucially, these improvements require no hyperparameter tuning and can be adopted as a simple drop-in replacement. Our code is publicly available on github.

Stochastic Gradient Descent (SGD) is one of the many iterative optimization methods that are widely used in solving machine learning problems. These methods display valuable properties and attract researchers and industrial machine learning engineers with their simplicity. However, one of the weaknesses of this type of methods is the necessity to tune learning rate (step-size) for every loss function and dataset combination to solve an optimization problem and get an efficient performance in a given time budget. Stochastic Gradient Descent with Polyak Step-size (SPS) is a method that offers an update rule that alleviates the need of fine-tuning the learning rate of an optimizer. In this paper, we propose an extension of SPS that employs preconditioning techniques, such as Hutchinson's method, Adam, and AdaGrad, to improve its performance on badly scaled and/or ill-conditioned datasets.

Second-order optimizers, maintaining a matrix termed a preconditioner, are superior to first-order optimizers in both theory and practice. The states forming the preconditioner and its inverse root restrict the maximum size of models trained by second-order optimizers. To address this, compressing 32-bit optimizer states to lower bitwidths has shown promise in reducing memory usage. However, current approaches only pertain to first-order optimizers. In this paper, we propose the first 4-bit second-order optimizers, exemplified by 4-bit Shampoo, maintaining performance similar to that of 32-bit ones. We show that quantizing the eigenvector matrix of the preconditioner in 4-bit Shampoo is remarkably better than quantizing the preconditioner itself both theoretically and experimentally. By rectifying the orthogonality of the quantized eigenvector matrix, we enhance the approximation of the preconditioner's eigenvector matrix, which also benefits the computation of its inverse 4-th root. Besides, we find that linear square quantization slightly outperforms dynamic tree quantization when quantizing second-order optimizer states. Evaluation on various networks for image classification demonstrates that our 4-bit Shampoo achieves comparable test accuracy to its 32-bit counterpart while being more memory-efficient. The source code will be made available.

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

We propose a preconditioning (PC) layer, a weight parameterization via polynomial preconditioner that ensures stable weight conditioning throughout LLM training. The PC module reshapes the singular-value spectrum of weight matrices via low-degree polynomial preconditioning. After training, the preconditioned weights can be merged back into the original architecture, incurring no inference overhead. We demonstrate the advantage of the proposed PC layer over standard transformers in Llama-1B pre-training, for both the AdamW and Muon optimizers. Theoretically, we justify this spectrum-control principle by proving that uniformly bounding each layer's singular values ensures geometric convergence of gradient descent to global minima, for certain deep linear networks. Our code is available at https://github.com/Empath-aln/PC-layer.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

Preconditioned adaptive methods have gained significant attention for training deep neural networks, as they capture rich curvature information of the loss landscape. The central challenge in this field lies in balancing preconditioning effectiveness with computational efficiency of implementing the preconditioner. Among recent advances, Muon stands out by using Newton-Schulz iteration to obtain preconditioned updates without explicitly constructing the preconditioning matrix. Despite its advantages, the efficiency of Muon still leaves room for further improvement. In this paper, we introduce RMNP (Row Momentum Normalized Preconditioning), an optimizer that replaces Newton-Schulz iteration with a simple row-wise (d_{in}) ell_2 normalization operation, motivated by the empirically observed diagonal block structure of the Transformer layerwise Hessian. We empirically verified that orthogonalization and row-wise (on input dim) ell_2 normalization are asymptotically equivalent in the case of the transformer. This substitution reduces the per-iteration computational complexity from {O}(mncdotmin(m,n)) to {O}(mn) for an mtimes n weight matrix while maintaining comparable optimization performance. Theoretically, we establish convergence guarantees for RMNP in the non-convex setting that match recent results for Muon optimizers, achieving the minimax optimal complexity. Extensive experiments on large language model pretraining show that RMNP delivers competitive optimization performance compared with Muon while substantially reducing preconditioning wall-clock time. Our code is available at https://github.com/Dominator-Index/RMNP.

Random masks define surprisingly effective sparse neural network models, as has been shown empirically. The resulting sparse networks can often compete with dense architectures and state-of-the-art lottery ticket pruning algorithms, even though they do not rely on computationally expensive prune-train iterations and can be drawn initially without significant computational overhead. We offer a theoretical explanation of how random masks can approximate arbitrary target networks if they are wider by a logarithmic factor in the inverse sparsity 1 / log(1/sparsity). This overparameterization factor is necessary at least for 3-layer random networks, which elucidates the observed degrading performance of random networks at higher sparsity. At moderate to high sparsity levels, however, our results imply that sparser networks are contained within random source networks so that any dense-to-sparse training scheme can be turned into a computationally more efficient sparse-to-sparse one by constraining the search to a fixed random mask. We demonstrate the feasibility of this approach in experiments for different pruning methods and propose particularly effective choices of initial layer-wise sparsity ratios of the random source network. As a special case, we show theoretically and experimentally that random source networks also contain strong lottery tickets.

We propose an adaptive step size with an energy approach for a suitable class of preconditioned gradient descent methods. We focus on settings where the preconditioning is applied to address the constraints in optimization problems, such as the Hessian-Riemannian and natural gradient descent methods. More specifically, we incorporate these preconditioned gradient descent algorithms in the recently introduced Adaptive Energy Gradient Descent (AEGD) framework. In particular, we discuss theoretical results on the unconditional energy-stability and convergence rates across three classes of objective functions. Furthermore, our numerical results demonstrate excellent performance of the proposed method on several test bed optimization problems.

In this work, a method of random parameters generation for randomized learning of a single-hidden-layer feedforward neural network is proposed. The method firstly, randomly selects the slope angles of the hidden neurons activation functions from an interval adjusted to the target function, then randomly rotates the activation functions, and finally distributes them across the input space. For complex target functions the proposed method gives better results than the approach commonly used in practice, where the random parameters are selected from the fixed interval. This is because it introduces the steepest fragments of the activation functions into the input hypercube, avoiding their saturation fragments.

Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix preconditioning, such as Full-Matrix Adagrad (GGT) or Matrix-Free Approximate Curvature (M-FAC) suffer from massive storage costs when applied even to small-scale models, as they must store a sliding window of gradients, whose memory requirements are multiplicative in the model dimension. In this paper, we address this issue via a novel and efficient error-feedback technique that can be applied to compress preconditioners by up to two orders of magnitude in practice, without loss of convergence. Specifically, our approach compresses the gradient information via sparsification or low-rank compression before it is fed into the preconditioner, feeding the compression error back into future iterations. Experiments on deep neural networks show that this approach can compress full-matrix preconditioners to up to 99\% sparsity without accuracy loss, effectively removing the memory overhead of full-matrix preconditioners such as GGT and M-FAC. Our code is available at https://github.com/IST-DASLab/EFCP.

Language model training in distributed settings is limited by the communication cost of gradient exchanges. In this short note, we extend recent work from Malladi et al. (2023), using shared randomness to perform distributed fine-tuning with low bandwidth. The method is a natural decentralized extension of memory-efficient Simultaneous Perturbation Stochastic Approximation (SPSA). Each iteration, each machine seeds a Random Number Generator (RNG) to perform local reproducible perturbations on model weights and calculate and exchange scalar projected gradients, which are then used to update each model. By using a (machine, sample) identifier as the random seed, each model can regenerate one another's perturbations. As machines only exchange single-byte projected gradients, this is highly communication efficient. There are also potential privacy benefits, as projected gradients may be calculated on different training data, and models never access the other's data. Our approach not only drastically reduces communication bandwidth requirements but also accommodates dynamic addition or removal of machines during the training process and retains the memory-efficient and inference-only advantages of recent work. We perform proof-of-concept experiments to demonstrate the potential usefulness of this method, building off of rich literature on distributed optimization and memory-efficient training.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

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.

Feedforward neural networks are widely used as universal predictive models to fit data distribution. Common gradient-based learning, however, suffers from many drawbacks making the training process ineffective and time-consuming. Alternative randomized learning does not use gradients but selects hidden node parameters randomly. This makes the training process extremely fast. However, the problem in randomized learning is how to determine the random parameters. A recently proposed method uses autoencoders for unsupervised parameter learning. This method showed superior performance on classification tasks. In this work, we apply this method to regression problems, and, finding that it has some drawbacks, we show how to improve it. We propose a learning method of autoencoders that controls the produced random weights. We also propose how to determine the biases of hidden nodes. We empirically compare autoencoder based learning with other randomized learning methods proposed recently for regression and find that despite the proposed improvement of the autoencoder based learning, it does not outperform its competitors in fitting accuracy. Moreover, the method is much more complex than its competitors.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

Electroencephalography (EEG) is a cornerstone of brain-computer interfaces and clinical neuroscience, yet deep learning models are typically trained and evaluated under a single, unreported preprocessing pipeline. We formalize preprocessing choices as a counterfactual intervention space and show that EEG predictions are surprisingly unstable under this space: across six datasets spanning four paradigms, up to 42% of trial-level predictions flip when only the preprocessing changes, a variability that standard uncertainty methods do not explicitly quantify because they condition on a fixed preprocessing pipeline. We provide three tools to make this instability measurable, decomposable, and reducible. First, a Walsh-Hadamard decomposition of the 2^7 pipeline space reveals that sensitivity is near-additive in practice under the binary intervention design, enabling efficient step-by-step optimization. Second, we introduce Preprocessing Uncertainty (PU), a per-trial diagnostic that captures a dimension of instability complementary to model-based confidence. Third, we study Normalized Adaptive PGI (NA-PGI), a graph-structured regularizer that exploits the compositional structure of preprocessing interventions as one mitigation strategy with clear scope conditions.

Predicting and anticipating future outcomes or reasoning about missing information in a sequence are critical skills for agents to be able to make intelligent decisions. This requires strong, temporally coherent generative capabilities. Diffusion models have shown remarkable success in several generative tasks, but have not been extensively explored in the video domain. We present Random-Mask Video Diffusion (RaMViD), which extends image diffusion models to videos using 3D convolutions, and introduces a new conditioning technique during training. By varying the mask we condition on, the model is able to perform video prediction, infilling, and upsampling. Due to our simple conditioning scheme, we can utilize the same architecture as used for unconditional training, which allows us to train the model in a conditional and unconditional fashion at the same time. We evaluate RaMViD on two benchmark datasets for video prediction, on which we achieve state-of-the-art results, and one for video generation. High-resolution videos are provided at https://sites.google.com/view/video-diffusion-prediction.

Shampoo is an online and stochastic optimization algorithm belonging to the AdaGrad family of methods for training neural networks. It constructs a block-diagonal preconditioner where each block consists of a coarse Kronecker product approximation to full-matrix AdaGrad for each parameter of the neural network. In this work, we provide a complete description of the algorithm as well as the performance optimizations that our implementation leverages to train deep networks at-scale in PyTorch. Our implementation enables fast multi-GPU distributed data-parallel training by distributing the memory and computation associated with blocks of each parameter via PyTorch's DTensor data structure and performing an AllGather primitive on the computed search directions at each iteration. This major performance enhancement enables us to achieve at most a 10% performance reduction in per-step wall-clock time compared against standard diagonal-scaling-based adaptive gradient methods. We validate our implementation by performing an ablation study on training ImageNet ResNet50, demonstrating Shampoo's superiority over standard training recipes with minimal hyperparameter tuning.

There is growing evidence of the effectiveness of Shampoo, a higher-order preconditioning method, over Adam in deep learning optimization tasks. However, Shampoo's drawbacks include additional hyperparameters and computational overhead when compared to Adam, which only updates running averages of first- and second-moment quantities. This work establishes a formal connection between Shampoo (implemented with the 1/2 power) and Adafactor -- a memory-efficient approximation of Adam -- showing that Shampoo is equivalent to running Adafactor in the eigenbasis of Shampoo's preconditioner. This insight leads to the design of a simpler and computationally efficient algorithm: ShampoO with Adam in the Preconditioner's eigenbasis (SOAP). With regards to improving Shampoo's computational efficiency, the most straightforward approach would be to simply compute Shampoo's eigendecomposition less frequently. Unfortunately, as our empirical results show, this leads to performance degradation that worsens with this frequency. SOAP mitigates this degradation by continually updating the running average of the second moment, just as Adam does, but in the current (slowly changing) coordinate basis. Furthermore, since SOAP is equivalent to running Adam in a rotated space, it introduces only one additional hyperparameter (the preconditioning frequency) compared to Adam. We empirically evaluate SOAP on language model pre-training with 360m and 660m sized models. In the large batch regime, SOAP reduces the number of iterations by over 40% and wall clock time by over 35% compared to AdamW, with approximately 20% improvements in both metrics compared to Shampoo. An implementation of SOAP is available at https://github.com/nikhilvyas/SOAP.

Low-Rank Adaptation (LoRA) emerges as a popular parameter-efficient fine-tuning (PEFT) method, which proposes to freeze pretrained model weights and update an additive low-rank trainable matrix. In this work, we study the enhancement of LoRA training by introducing an r times r preconditioner in each gradient step where r is the LoRA rank. We theoretically verify that the proposed preconditioner stabilizes feature learning with LoRA under infinite-width NN setting. Empirically, the implementation of this new preconditioner requires a small change to existing optimizer code and creates virtually minuscule storage and runtime overhead. Our experimental results with both large language models and text-to-image diffusion models show that with this new preconditioner, the convergence and reliability of SGD and AdamW can be significantly enhanced. Moreover, the training process becomes much more robust to hyperparameter choices such as learning rate. The new preconditioner can be derived from a novel Riemannian metric in low-rank matrix field. Code can be accessed at https://github.com/pilancilab/Riemannian_Preconditioned_LoRA.

Random pruning is arguably the most naive way to attain sparsity in neural networks, but has been deemed uncompetitive by either post-training pruning or sparse training. In this paper, we focus on sparse training and highlight a perhaps counter-intuitive finding, that random pruning at initialization can be quite powerful for the sparse training of modern neural networks. Without any delicate pruning criteria or carefully pursued sparsity structures, we empirically demonstrate that sparsely training a randomly pruned network from scratch can match the performance of its dense equivalent. There are two key factors that contribute to this revival: (i) the network sizes matter: as the original dense networks grow wider and deeper, the performance of training a randomly pruned sparse network will quickly grow to matching that of its dense equivalent, even at high sparsity ratios; (ii) appropriate layer-wise sparsity ratios can be pre-chosen for sparse training, which shows to be another important performance booster. Simple as it looks, a randomly pruned subnetwork of Wide ResNet-50 can be sparsely trained to outperforming a dense Wide ResNet-50, on ImageNet. We also observed such randomly pruned networks outperform dense counterparts in other favorable aspects, such as out-of-distribution detection, uncertainty estimation, and adversarial robustness. Overall, our results strongly suggest there is larger-than-expected room for sparse training at scale, and the benefits of sparsity might be more universal beyond carefully designed pruning. Our source code can be found at https://github.com/VITA-Group/Random_Pruning.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data. Code is available at https://github.com/thu-ml/DPOT.

The ever-growing scale of deep learning models and training data underscores the critical importance of efficient optimization methods. While preconditioned gradient methods such as Adam and AdamW are the de facto optimizers for training neural networks and large language models, structure-aware preconditioned optimizers like Shampoo and Muon, which utilize the matrix structure of gradients, have demonstrated promising evidence of faster convergence. In this paper, we introduce a unifying framework for analyzing "matrix-aware" preconditioned methods, which not only sheds light on the effectiveness of Muon and related optimizers but also leads to a class of new structure-aware preconditioned methods. A key contribution of this framework is its precise distinction between preconditioning strategies that treat neural network weights as vectors (addressing curvature anisotropy) versus those that consider their matrix structure (addressing gradient anisotropy). This perspective provides new insights into several empirical phenomena in language model pre-training, including Adam's training instabilities, Muon's accelerated convergence, and the necessity of learning rate warmup for Adam. Building upon this framework, we introduce PolarGrad, a new class of preconditioned optimization methods based on the polar decomposition of matrix-valued gradients. As a special instance, PolarGrad includes Muon with updates scaled by the nuclear norm of the gradients. We provide numerical implementations of these methods, leveraging efficient numerical polar decomposition algorithms for enhanced convergence. Our extensive evaluations across diverse matrix optimization problems and language model pre-training tasks demonstrate that PolarGrad outperforms both Adam and Muon.

A key aspect of learned partial differential equation (PDE) solvers is that the main cost often comes from generating training data with classical solvers rather than learning the model itself. Another is that there are clear axes of difficulty--e.g., more complex geometries and higher Reynolds numbers--along which problems become (1) harder for classical solvers and thus (2) more likely to benefit from neural speedups. Towards addressing this chicken-and-egg challenge, we study difficulty transfer on 2D incompressible Navier-Stokes, systematically varying task complexity along geometry (number and placement of obstacles), physics (Reynolds number), and their combination. Similar to how it is possible to spend compute to pre-train foundation models and improve their performance on downstream tasks, we find that by classically solving (analogously pre-generating) many low and medium difficulty examples and including them in the training set, it is possible to learn high-difficulty physics from far fewer samples. Furthermore, we show that by combining low and high difficulty data, we can spend 8.9x less compute on pre-generating a dataset to achieve the same error as using only high difficulty examples. Our results highlight that how we allocate classical-solver compute across difficulty levels is as important as how much we allocate overall, and suggest substantial gains from principled curation of pre-generated PDE data for neural solvers. Our code is available at https://github.com/Naman-Choudhary-AI-ML/pregenerating-pde

Shampoo, a second-order optimization algorithm which uses a Kronecker product preconditioner, has recently garnered increasing attention from the machine learning community. The preconditioner used by Shampoo can be viewed either as an approximation of the Gauss--Newton component of the Hessian or the covariance matrix of the gradients maintained by Adagrad. We provide an explicit and novel connection between the optimal Kronecker product approximation of these matrices and the approximation made by Shampoo. Our connection highlights a subtle but common misconception about Shampoo's approximation. In particular, the square of the approximation used by the Shampoo optimizer is equivalent to a single step of the power iteration algorithm for computing the aforementioned optimal Kronecker product approximation. Across a variety of datasets and architectures we empirically demonstrate that this is close to the optimal Kronecker product approximation. Additionally, for the Hessian approximation viewpoint, we empirically study the impact of various practical tricks to make Shampoo more computationally efficient (such as using the batch gradient and the empirical Fisher) on the quality of Hessian approximation.

In this paper, we introduce Random Erasing, a new data augmentation method for training the convolutional neural network (CNN). In training, Random Erasing randomly selects a rectangle region in an image and erases its pixels with random values. In this process, training images with various levels of occlusion are generated, which reduces the risk of over-fitting and makes the model robust to occlusion. Random Erasing is parameter learning free, easy to implement, and can be integrated with most of the CNN-based recognition models. Albeit simple, Random Erasing is complementary to commonly used data augmentation techniques such as random cropping and flipping, and yields consistent improvement over strong baselines in image classification, object detection and person re-identification. Code is available at: https://github.com/zhunzhong07/Random-Erasing.

Pretraining produces a learned parameter vector that is typically treated as a starting point for further iterative adaptation. In this work, we instead view the outcome of pretraining as a distribution over parameter vectors, whose support already contains task-specific experts. We show that in small models such expert solutions occupy a negligible fraction of the volume of this distribution, making their discovery reliant on structured optimization methods such as gradient descent. In contrast, in large, well-pretrained models the density of task-experts increases dramatically, so that diverse, task-improving specialists populate a substantial fraction of the neighborhood around the pretrained weights. Motivated by this perspective, we explore a simple, fully parallel post-training method that samples N parameter perturbations at random, selects the top K, and ensembles predictions via majority vote. Despite its simplicity, this approach is competitive with standard post-training methods such as PPO, GRPO, and ES for contemporary large-scale models.

Sparse neural networks have shown similar or better generalization performance than their dense counterparts while having higher parameter efficiency. This has motivated a number of works to learn or search for high performing sparse networks. While reports of task performance or efficiency gains are impressive, standard baselines are lacking leading to poor comparability and unreliable reproducibility across methods. In this work, we propose Random Search as a baseline algorithm for finding good sparse configurations and study its performance. We apply Random Search on the node space of an overparameterized network with the goal of finding better initialized sparse sub-networks that are positioned more advantageously in the loss landscape. We record the post-training performances of the found sparse networks and at various levels of sparsity, and compare against both their fully connected parent networks and random sparse configurations at the same sparsity levels. First, we demonstrate performance at different levels of sparsity and highlight that a significant level of performance can still be preserved even when the network is highly sparse. Second, we observe that for this sparse architecture search task, initialized sparse networks found by Random Search neither perform better nor converge more efficiently than their random counterparts. Thus we conclude that Random Search may be viewed as a reasonable neutral baseline for sparsity search methods.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

We study uncertainty quantification for partial differential equations subject to domain uncertainty. We parameterize the random domain using the model recently considered by Chernov and Le (2024) as well as Harbrecht, Schmidlin, and Schwab (2024) in which the input random field is assumed to belong to a Gevrey smoothness class. This approach has the advantage of being substantially more general than models which assume a particular parametric representation of the input random field such as a Karhunen-Loeve series expansion. We consider both the Poisson equation as well as the heat equation and design randomly shifted lattice quasi-Monte Carlo (QMC) cubature rules for the computation of the expected solution under domain uncertainty. We show that these QMC rules exhibit dimension-independent, essentially linear cubature convergence rates in this framework. In addition, we complete the error analysis by taking into account the approximation errors incurred by dimension truncation of the random input field and finite element discretization. Numerical experiments are presented to confirm the theoretical rates.

Random Neural Networks (RNNs) are a class of Neural Networks (NNs) that can also be seen as a specific type of queuing network. They have been successfully used in several domains during the last 25 years, as queuing networks to analyze the performance of resource sharing in many engineering areas, as learning tools and in combinatorial optimization, where they are seen as neural systems, and also as models of neurological aspects of living beings. In this article we focus on their learning capabilities, and more specifically, we present a practical guide for using the RNN to solve supervised learning problems. We give a general description of these models using almost indistinctly the terminology of Queuing Theory and the neural one. We present the standard learning procedures used by RNNs, adapted from similar well-established improvements in the standard NN field. We describe in particular a set of learning algorithms covering techniques based on the use of first order and, then, of second order derivatives. We also discuss some issues related to these objects and present new perspectives about their use in supervised learning problems. The tutorial describes their most relevant applications, and also provides a large bibliography.

Low-Rank Adaptation (LoRA) reparameterizes a weight update as a product of two low-rank factors, but the Jacobian J_{G} of the generator mapping the factors to the weight matrix is rank-deficient, so the factor-space preconditioner J_{G}^* {F}_t J_{G} induced by any {W}-space preconditioner {F}_t is singular, and consequently the standard chain rule cannot be uniquely inverted to map a preconditioned {W}-space direction back to a factor-space update. We cast existing LoRA optimizers in a unified framework parameterized by two choices: (i) which invertible surrogate for J_{G}^* {F}_t J_{G} to use, and (ii) which {F}_t on {W} to use. Existing methods occupy four families along these axes: factor-space adaptive updates, block-diagonal surrogates for J_{G}^* J_{G}, Frobenius-residual pseudoinverse methods, and Riemannian manifold constraint. Within this design space, a gradient-statistics-aware {F}_t paired with a closed-form factor-space solve at {O}((m+n)r) memory remains underexplored. We propose AdaPreLoRA, which fills this gap by adopting the Adafactor diagonal Kronecker preconditioner {H}_t on {W} and selecting from the resulting factor-space solution family the element minimizing an {H}_t-weighted imbalance between the two factor contributions; by construction, the resulting factor update is the closest LoRA approximation to the preconditioned {W}-space direction under the {H}_t-weighted norm. Across GPT-2 (E2E), Mistral-7B and Qwen2-7B (GLUE, ARC, GSM8K), and diffusion-model personalization, AdaPreLoRA is competitive with or improves over a representative set of LoRA optimizers while keeping peak GPU memory at the LoRA optimizer level.

Data pruning algorithms are commonly used to reduce the memory and computational cost of the optimization process. Recent empirical results reveal that random data pruning remains a strong baseline and outperforms most existing data pruning methods in the high compression regime, i.e., where a fraction of 30% or less of the data is kept. This regime has recently attracted a lot of interest as a result of the role of data pruning in improving the so-called neural scaling laws; in [Sorscher et al.], the authors showed the need for high-quality data pruning algorithms in order to beat the sample power law. In this work, we focus on score-based data pruning algorithms and show theoretically and empirically why such algorithms fail in the high compression regime. We demonstrate ``No Free Lunch" theorems for data pruning and present calibration protocols that enhance the performance of existing pruning algorithms in this high compression regime using randomization.

While conditional diffusion models are known to have good coverage of the data distribution, they still face limitations in output diversity, particularly when sampled with a high classifier-free guidance scale for optimal image quality or when trained on small datasets. We attribute this problem to the role of the conditioning signal in inference and offer an improved sampling strategy for diffusion models that can increase generation diversity, especially at high guidance scales, with minimal loss of sample quality. Our sampling strategy anneals the conditioning signal by adding scheduled, monotonically decreasing Gaussian noise to the conditioning vector during inference to balance diversity and condition alignment. Our Condition-Annealed Diffusion Sampler (CADS) can be used with any pretrained model and sampling algorithm, and we show that it boosts the diversity of diffusion models in various conditional generation tasks. Further, using an existing pretrained diffusion model, CADS achieves a new state-of-the-art FID of 1.70 and 2.31 for class-conditional ImageNet generation at 256times256 and 512times512 respectively.

We prove new convergence rates for a generalized version of stochastic Nesterov acceleration under interpolation conditions. Unlike previous analyses, our approach accelerates any stochastic gradient method which makes sufficient progress in expectation. The proof, which proceeds using the estimating sequences framework, applies to both convex and strongly convex functions and is easily specialized to accelerated SGD under the strong growth condition. In this special case, our analysis reduces the dependence on the strong growth constant from rho to rho as compared to prior work. This improvement is comparable to a square-root of the condition number in the worst case and address criticism that guarantees for stochastic acceleration could be worse than those for SGD.

We revisit the problem of large-scale bundle adjustment and propose a technique called Multidirectional Conjugate Gradients that accelerates the solution of the normal equation by up to 61%. The key idea is that we enlarge the search space of classical preconditioned conjugate gradients to include multiple search directions. As a consequence, the resulting algorithm requires fewer iterations, leading to a significant speedup of large-scale reconstruction, in particular for denser problems where traditional approaches notoriously struggle. We provide a number of experimental ablation studies revealing the robustness to variations in the hyper-parameters and the speedup as a function of problem density.

Training deep neural networks--and more recently, large models--demands efficient and scalable optimizers. Adaptive gradient algorithms like Adam, AdamW, and their variants have been central to this task. Despite the development of numerous variance reduction algorithms in the past decade aimed at accelerating stochastic optimization in both convex and nonconvex settings, variance reduction has not found widespread success in training deep neural networks or large language models. Consequently, it has remained a less favored approach in modern AI. In this paper, to unleash the power of variance reduction for efficient training of large models, we propose a unified optimization framework, MARS (Make vAriance Reduction Shine), which reconciles preconditioned gradient methods with variance reduction via a scaled stochastic recursive momentum technique. Within our framework, we introduce three instances of MARS that leverage preconditioned gradient updates based on AdamW, Lion, and Shampoo, respectively. We also draw a connection between our algorithms and existing optimizers. Experimental results on training GPT-2 models indicate that MARS consistently outperforms AdamW by a large margin.

Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.

We develop a framework for non-asymptotic analysis of deterministic samplers used for diffusion generative modeling. Several recent works have analyzed stochastic samplers using tools like Girsanov's theorem and a chain rule variant of the interpolation argument. Unfortunately, these techniques give vacuous bounds when applied to deterministic samplers. We give a new operational interpretation for deterministic sampling by showing that one step along the probability flow ODE can be expressed as two steps: 1) a restoration step that runs gradient ascent on the conditional log-likelihood at some infinitesimally previous time, and 2) a degradation step that runs the forward process using noise pointing back towards the current iterate. This perspective allows us to extend denoising diffusion implicit models to general, non-linear forward processes. We then develop the first polynomial convergence bounds for these samplers under mild conditions on the data distribution.

We introduce UnpredictaBench, an evaluation that tests the ability of large language models (LLMs) to capture true underlying distributions. As LLMs are increasingly used as substitutes for other entities (e.g., for humans in economic simulations), the tendency of many models to collapse towards a single plausible answer means a failure to capture the unpredictability of real systems. Recent work on improving output diversity is insufficient for this setting: simulation requires samples that are calibrated to a target distribution, not merely varied outputs. UnpredictaBench isolates a simplified but fundamental version of this problem: sampling outcomes from individual target distributions, including canonical statistical distributions, distributions induced by stochastic programs, and natural-language scenarios that describe random processes. We introduce 448 such problems together with KS@N, a general-purpose evaluation metric that quantifies how well a model outputs approximate black-box target distributions via the Kolmogorov-Smirnov statistical test. This is the rate at which we fail to reject model samples of size N against ground-truth samples, with larger N indicating greater difficulty. Tested across open and proprietary models, we find a large spread in distributional capabilities. For instance, when models generate samples of size 100 (KS@100, our standard metric), scores range from near 0 to over 20%. No model is able to achieve over 40% at KS@100, showing significant headroom in distributional sampling as a capability. Although adding reasoning can somewhat increase scores, we find no immediate solution for this issue. UnpredictaBench shows that even simple distributional simulation remains challenging, making it a necessary first step toward using LLMs as stand-ins for complex systems.

The current large auto-regressive models can generate high-quality, high-resolution images, but these models require hundreds or even thousands of steps of next-token prediction during inference, resulting in substantial time consumption. In existing studies, Jacobi decoding, an iterative parallel decoding algorithm, has been used to accelerate the auto-regressive generation and can be executed without training. However, the Jacobi decoding relies on a deterministic criterion to determine the convergence of iterations. Thus, it works for greedy decoding but is incompatible with sampling-based decoding which is crucial for visual quality and diversity in the current auto-regressive text-to-image generation. In this paper, we propose a training-free probabilistic parallel decoding algorithm, Speculative Jacobi Decoding (SJD), to accelerate auto-regressive text-to-image generation. By introducing a probabilistic convergence criterion, our SJD accelerates the inference of auto-regressive text-to-image generation while maintaining the randomness in sampling-based token decoding and allowing the model to generate diverse images. Specifically, SJD facilitates the model to predict multiple tokens at each step and accepts tokens based on the probabilistic criterion, enabling the model to generate images with fewer steps than the conventional next-token-prediction paradigm. We also investigate the token initialization strategies that leverage the spatial locality of visual data to further improve the acceleration ratio under specific scenarios. We conduct experiments for our proposed SJD on multiple auto-regressive text-to-image generation models, showing the effectiveness of model acceleration without sacrificing the visual quality.

In this paper, we investigate the behavior of gradient descent algorithms in physics-informed machine learning methods like PINNs, which minimize residuals connected to partial differential equations (PDEs). Our key result is that the difficulty in training these models is closely related to the conditioning of a specific differential operator. This operator, in turn, is associated to the Hermitian square of the differential operator of the underlying PDE. If this operator is ill-conditioned, it results in slow or infeasible training. Therefore, preconditioning this operator is crucial. We employ both rigorous mathematical analysis and empirical evaluations to investigate various strategies, explaining how they better condition this critical operator, and consequently improve training.

Satellite image inpainting is a crucial task in remote sensing, where accurately restoring missing or occluded regions is essential for robust image analysis. In this paper, we propose KAO, a novel framework that utilizes Kernel-Adaptive Optimization within diffusion models for satellite image inpainting. KAO is specifically designed to address the challenges posed by very high-resolution (VHR) satellite datasets, such as DeepGlobe and the Massachusetts Roads Dataset. Unlike existing methods that rely on preconditioned models requiring extensive retraining or postconditioned models with significant computational overhead, KAO introduces a Latent Space Conditioning approach, optimizing a compact latent space to achieve efficient and accurate inpainting. Furthermore, we incorporate Explicit Propagation into the diffusion process, facilitating forward-backward fusion, which improves the stability and precision of the method. Experimental results demonstrate that KAO sets a new benchmark for VHR satellite image restoration, providing a scalable, high-performance solution that balances the efficiency of preconditioned models with the flexibility of postconditioned models.

We show that classifiers trained with random region proposals achieve state-of-the-art Open-world Object Detection (OWOD): they can not only maintain the accuracy of the known objects (w/ training labels), but also considerably improve the recall of unknown ones (w/o training labels). Specifically, we propose RandBox, a Fast R-CNN based architecture trained on random proposals at each training iteration, surpassing existing Faster R-CNN and Transformer based OWOD. Its effectiveness stems from the following two benefits introduced by randomness. First, as the randomization is independent of the distribution of the limited known objects, the random proposals become the instrumental variable that prevents the training from being confounded by the known objects. Second, the unbiased training encourages more proposal explorations by using our proposed matching score that does not penalize the random proposals whose prediction scores do not match the known objects. On two benchmarks: Pascal-VOC/MS-COCO and LVIS, RandBox significantly outperforms the previous state-of-the-art in all metrics. We also detail the ablations on randomization and loss designs. Codes are available at https://github.com/scuwyh2000/RandBox.

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.

We derive a new proof to show that the incremental resparsification algorithm proposed by Kelner and Levin (2013) produces a spectral sparsifier in high probability. We rigorously take into account the dependencies across subsequent resparsifications using martingale inequalities, fixing a flaw in the original analysis.

Typical generative diffusion models rely on a Gaussian diffusion process for training the backward transformations, which can then be used to generate samples from Gaussian noise. However, real world data often takes place in discrete-state spaces, including many scientific applications. Here, we develop a theoretical formulation for arbitrary discrete-state Markov processes in the forward diffusion process using exact (as opposed to variational) analysis. We relate the theory to the existing continuous-state Gaussian diffusion as well as other approaches to discrete diffusion, and identify the corresponding reverse-time stochastic process and score function in the continuous-time setting, and the reverse-time mapping in the discrete-time setting. As an example of this framework, we introduce ``Blackout Diffusion'', which learns to produce samples from an empty image instead of from noise. Numerical experiments on the CIFAR-10, Binarized MNIST, and CelebA datasets confirm the feasibility of our approach. Generalizing from specific (Gaussian) forward processes to discrete-state processes without a variational approximation sheds light on how to interpret diffusion models, which we discuss.

Large Language Models (LLMs) still struggle with the structured reasoning and tool-assisted computation needed for problem solving in cybersecurity applications. In this work, we introduce "random-crypto", a cryptographic Capture-the-Flag (CTF) challenge generator framework that we use to fine-tune a tool-augmented Llama-3.1-8B with Guided Reinforcement Prompt Optimisation (GRPO), allowing the agent to iteratively write and execute Python inside an isolated REPL. GRPO yields a +53% absolute jump in Pass@8 on unseen "random-crypto" tasks (0.35 -> 0.88) and raises Majority@8 to 0.41. The fine-tuned agent also generalizes to an external dataset. On a subset of picoCTF cryptography problems, it improves Pass@8 by +13 pp. Ablations show the gains stem from more reliable tool invocation and code synthesis, rather than superficial prompt adaptation.

Two main families of node feature augmentation schemes have been explored for enhancing GNNs: random features and spectral positional encoding. Surprisingly, however, there is still no clear understanding of the relation between these two augmentation schemes. Here we propose a novel family of positional encoding schemes which draws a link between the above two approaches and improves over both. The new approach, named Random Feature Propagation (RFP), is inspired by the power iteration method and its generalizations. It concatenates several intermediate steps of an iterative algorithm for computing the dominant eigenvectors of a propagation matrix, starting from random node features. Notably, these propagation steps are based on graph-dependent propagation operators that can be either predefined or learned. We explore the theoretical and empirical benefits of RFP. First, we provide theoretical justifications for using random features, for incorporating early propagation steps, and for using multiple random initializations. Then, we empirically demonstrate that RFP significantly outperforms both spectral PE and random features in multiple node classification and graph classification benchmarks.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

It is widely believed that noise conditioning is indispensable for denoising diffusion models to work successfully. This work challenges this belief. Motivated by research on blind image denoising, we investigate a variety of denoising-based generative models in the absence of noise conditioning. To our surprise, most models exhibit graceful degradation, and in some cases, they even perform better without noise conditioning. We provide a theoretical analysis of the error caused by removing noise conditioning and demonstrate that our analysis aligns with empirical observations. We further introduce a noise-unconditional model that achieves a competitive FID of 2.23 on CIFAR-10, significantly narrowing the gap to leading noise-conditional models. We hope our findings will inspire the community to revisit the foundations and formulations of denoising generative models.

This paper introduces UnDiff, a diffusion probabilistic model capable of solving various speech inverse tasks. Being once trained for speech waveform generation in an unconditional manner, it can be adapted to different tasks including degradation inversion, neural vocoding, and source separation. In this paper, we, first, tackle the challenging problem of unconditional waveform generation by comparing different neural architectures and preconditioning domains. After that, we demonstrate how the trained unconditional diffusion could be adapted to different tasks of speech processing by the means of recent developments in post-training conditioning of diffusion models. Finally, we demonstrate the performance of the proposed technique on the tasks of bandwidth extension, declipping, vocoding, and speech source separation and compare it to the baselines. The codes are publicly available.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the L_2 norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to study wide random neural networks. Central to these approaches are certain scaling limits of such networks. We unify these results by introducing a notion of a straightline tensor program that can express most neural network computations, and we characterize its scaling limit when its tensors are large and randomized. From our framework follows (1) the convergence of random neural networks to Gaussian processes for architectures such as recurrent neural networks, convolutional neural networks, residual networks, attention, and any combination thereof, with or without batch normalization; (2) conditions under which the gradient independence assumption -- that weights in backpropagation can be assumed to be independent from weights in the forward pass -- leads to correct computation of gradient dynamics, and corrections when it does not; (3) the convergence of the Neural Tangent Kernel, a recently proposed kernel used to predict training dynamics of neural networks under gradient descent, at initialization for all architectures in (1) without batch normalization. Mathematically, our framework is general enough to rederive classical random matrix results such as the semicircle and the Marchenko-Pastur laws, as well as recent results in neural network Jacobian singular values. We hope our work opens a way toward design of even stronger Gaussian Processes, initialization schemes to avoid gradient explosion/vanishing, and deeper understanding of SGD dynamics in modern architectures.

Gaussian process upper confidence bound (GP-UCB) is a theoretically promising approach for black-box optimization; however, the confidence parameter beta is considerably large in the theorem and chosen heuristically in practice. Then, randomized GP-UCB (RGP-UCB) uses a randomized confidence parameter, which follows the Gamma distribution, to mitigate the impact of manually specifying beta. This study first generalizes the regret analysis of RGP-UCB to a wider class of distributions, including the Gamma distribution. Furthermore, we propose improved RGP-UCB (IRGP-UCB) based on a two-parameter exponential distribution, which achieves tighter Bayesian regret bounds. IRGP-UCB does not require an increase in the confidence parameter in terms of the number of iterations, which avoids over-exploration in the later iterations. Finally, we demonstrate the effectiveness of IRGP-UCB through extensive experiments.

In this paper, we focus on quantifying model stability as a function of random seed by investigating the effects of the induced randomness on model performance and the robustness of the model in general. We specifically perform a controlled study on the effect of random seeds on the behaviour of attention, gradient-based and surrogate model based (LIME) interpretations. Our analysis suggests that random seeds can adversely affect the consistency of models resulting in counterfactual interpretations. We propose a technique called Aggressive Stochastic Weight Averaging (ASWA)and an extension called Norm-filtered Aggressive Stochastic Weight Averaging (NASWA) which improves the stability of models over random seeds. With our ASWA and NASWA based optimization, we are able to improve the robustness of the original model, on average reducing the standard deviation of the model's performance by 72%.

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each presents its unique limitations and generally balances training cost, numerical accuracy, and ease of applicability to different problem setups. To address these limitations, we introduce several methods to apply latent diffusion models to physics simulation. Firstly, we introduce a mesh autoencoder to compress arbitrarily discretized PDE data, allowing for efficient diffusion training across various physics. Furthermore, we investigate full spatio-temporal solution generation to mitigate autoregressive error accumulation. Lastly, we investigate conditioning on initial physical quantities, as well as conditioning solely on a text prompt to introduce text2PDE generation. We show that language can be a compact, interpretable, and accurate modality for generating physics simulations, paving the way for more usable and accessible PDE solvers. Through experiments on both uniform and structured grids, we show that the proposed approach is competitive with current neural PDE solvers in both accuracy and efficiency, with promising scaling behavior up to sim3 billion parameters. By introducing a scalable, accurate, and usable physics simulator, we hope to bring neural PDE solvers closer to practical use.

This paper presents Representation-Conditioned image Generation (RCG), a simple yet effective image generation framework which sets a new benchmark in class-unconditional image generation. RCG does not condition on any human annotations. Instead, it conditions on a self-supervised representation distribution which is mapped from the image distribution using a pre-trained encoder. During generation, RCG samples from such representation distribution using a representation diffusion model (RDM), and employs a pixel generator to craft image pixels conditioned on the sampled representation. Such a design provides substantial guidance during the generative process, resulting in high-quality image generation. Tested on ImageNet 256times256, RCG achieves a Frechet Inception Distance (FID) of 3.31 and an Inception Score (IS) of 253.4. These results not only significantly improve the state-of-the-art of class-unconditional image generation but also rival the current leading methods in class-conditional image generation, bridging the long-standing performance gap between these two tasks. Code is available at https://github.com/LTH14/rcg.

Recent advances in text-to-image (T2I) diffusion models have facilitated creative and photorealistic image synthesis. By varying the random seeds, we can generate various images for a fixed text prompt. Technically, the seed controls the initial noise and, in multi-step diffusion inference, the noise used for reparameterization at intermediate timesteps in the reverse diffusion process. However, the specific impact of the random seed on the generated images remains relatively unexplored. In this work, we conduct a large-scale scientific study into the impact of random seeds during diffusion inference. Remarkably, we reveal that the best 'golden' seed achieved an impressive FID of 21.60, compared to the worst 'inferior' seed's FID of 31.97. Additionally, a classifier can predict the seed number used to generate an image with over 99.9% accuracy in just a few epochs, establishing that seeds are highly distinguishable based on generated images. Encouraged by these findings, we examined the influence of seeds on interpretable visual dimensions. We find that certain seeds consistently produce grayscale images, prominent sky regions, or image borders. Seeds also affect image composition, including object location, size, and depth. Moreover, by leveraging these 'golden' seeds, we demonstrate improved image generation such as high-fidelity inference and diversified sampling. Our investigation extends to inpainting tasks, where we uncover some seeds that tend to insert unwanted text artifacts. Overall, our extensive analyses highlight the importance of selecting good seeds and offer practical utility for image generation.

In this paper, we provide a finite random iterated function system satisfying the open set condition, for which the random version of Bowen's formula fails to hold. This counterexample shows that analogous results established for random recursive constructions are not always obtained for random iterated function systems.

Dynamic contrast-enhanced (DCE) MRI is essential for breast cancer diagnosis and treatment. However, its reliance on contrast agents introduces safety concerns, contraindications, increased cost, and workflow complexity. To this end, we present pre-contrast conditioned denoising diffusion probabilistic models to synthesize DCE-MRI, introducing, evaluating, and comparing a total of 22 generative model variants in both single-breast and full breast settings. Towards enhancing lesion fidelity, we introduce both tumor-aware loss functions and explicit tumor segmentation mask conditioning. Using a public multicenter dataset and comparing to respective pre-contrast baselines, we observe that subtraction image-based models consistently outperform post-contrast-based models across five complementary evaluation metrics. Apart from assessing the entire image, we also separately evaluate the region of interest, where both tumor-aware losses and segmentation mask inputs improve evaluation metrics. The latter notably enhance qualitative results capturing contrast uptake, albeit assuming access to tumor localization inputs that are not guaranteed to be available in screening settings. A reader study involving 2 radiologists and 4 MRI technologists confirms the high realism of the synthetic images, indicating an emerging clinical potential of generative contrast-enhancement. We share our codebase at https://github.com/sebastibar/conditional-diffusion-breast-MRI.

We systematically study antithetic initial noise in diffusion models, discovering that pairing each noise sample with its negation consistently produces strong negative correlation. This universal phenomenon holds across datasets, model architectures, conditional and unconditional sampling, and even other generative models such as VAEs and Normalizing Flows. To explain it, we combine experiments and theory and propose a symmetry conjecture that the learned score function is approximately affine antisymmetric (odd symmetry up to a constant shift), supported by empirical evidence. This negative correlation leads to substantially more reliable uncertainty quantification with up to 90% narrower confidence intervals. We demonstrate these gains on tasks including estimating pixel-wise statistics and evaluating diffusion inverse solvers. We also provide extensions with randomized quasi-Monte Carlo noise designs for uncertainty quantification, and explore additional applications of the antithetic noise design to improve image editing and generation diversity. Our framework is training-free, model-agnostic, and adds no runtime overhead. Code is available at https://github.com/jjia131/Antithetic-Noise-in-Diffusion-Models-page.

Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural operators offer a fast alternative, they typically rely on large-scale labeled datasets or struggle with unstable training dynamics when using physics-informed residual losses. We propose NPSolver, a neural Poisson solver trained without solution labels via iterative physics supervision. Instead of relying on fully converged numerical solutions or raw PDE residuals, NPSolver utilizes a small number of preconditioned conjugate gradient (PCG) steps to refine its own predictions, providing a more stable and well-scaled training signal. Theoretical analysis confirms that this iterative supervision serves as a well-conditioned error proxy and that a stop-gradient design is essential for optimization stability. To better capture boundary-driven features under mixed boundary conditions, we further introduce the Boundary-Aware Transolver (BA-Transolver) architecture that explicitly separates interior and boundary tokenization. Extensive evaluations on 2D and 3D irregular geometries demonstrate that NPSolver outperforms both physics-informed and data-driven baselines. Furthermore, a downstream thermal control task highlights the model's capability for conducting efficient and reliable gradient-based boundary control. We will release our codes and data at https://github.com/intell-sci-comput/NPSolver.

This paper provides a non-asymptotic analysis of linear stochastic approximation (LSA) algorithms with fixed stepsize. This family of methods arises in many machine learning tasks and is used to obtain approximate solutions of a linear system Atheta = b for which A and b can only be accessed through random estimates {({bf A}_n, {bf b}_n): n in N^*}. Our analysis is based on new results regarding moments and high probability bounds for products of matrices which are shown to be tight. We derive high probability bounds on the performance of LSA under weaker conditions on the sequence {({bf A}_n, {bf b}_n): n in N^*} than previous works. However, in contrast, we establish polynomial concentration bounds with order depending on the stepsize. We show that our conclusions cannot be improved without additional assumptions on the sequence of random matrices {{bf A}_n: n in N^*}, and in particular that no Gaussian or exponential high probability bounds can hold. Finally, we pay a particular attention to establishing bounds with sharp order with respect to the number of iterations and the stepsize and whose leading terms contain the covariance matrices appearing in the central limit theorems.

We study convergence lower bounds of without-replacement stochastic gradient descent (SGD) for solving smooth (strongly-)convex finite-sum minimization problems. Unlike most existing results focusing on final iterate lower bounds in terms of the number of components n and the number of epochs K, we seek bounds for arbitrary weighted average iterates that are tight in all factors including the condition number kappa. For SGD with Random Reshuffling, we present lower bounds that have tighter kappa dependencies than existing bounds. Our results are the first to perfectly close the gap between lower and upper bounds for weighted average iterates in both strongly-convex and convex cases. We also prove weighted average iterate lower bounds for arbitrary permutation-based SGD, which apply to all variants that carefully choose the best permutation. Our bounds improve the existing bounds in factors of n and kappa and thereby match the upper bounds shown for a recently proposed algorithm called GraB.

We introduce Psi-Sampler, an SMC-based framework incorporating pCNL-based initial particle sampling for effective inference-time reward alignment with a score-based generative model. Inference-time reward alignment with score-based generative models has recently gained significant traction, following a broader paradigm shift from pre-training to post-training optimization. At the core of this trend is the application of Sequential Monte Carlo (SMC) to the denoising process. However, existing methods typically initialize particles from the Gaussian prior, which inadequately captures reward-relevant regions and results in reduced sampling efficiency. We demonstrate that initializing from the reward-aware posterior significantly improves alignment performance. To enable posterior sampling in high-dimensional latent spaces, we introduce the preconditioned Crank-Nicolson Langevin (pCNL) algorithm, which combines dimension-robust proposals with gradient-informed dynamics. This approach enables efficient and scalable posterior sampling and consistently improves performance across various reward alignment tasks, including layout-to-image generation, quantity-aware generation, and aesthetic-preference generation, as demonstrated in our experiments.

We argue that the theory and practice of diffusion-based generative models are currently unnecessarily convoluted and seek to remedy the situation by presenting a design space that clearly separates the concrete design choices. This lets us identify several changes to both the sampling and training processes, as well as preconditioning of the score networks. Together, our improvements yield new state-of-the-art FID of 1.79 for CIFAR-10 in a class-conditional setting and 1.97 in an unconditional setting, with much faster sampling (35 network evaluations per image) than prior designs. To further demonstrate their modular nature, we show that our design changes dramatically improve both the efficiency and quality obtainable with pre-trained score networks from previous work, including improving the FID of a previously trained ImageNet-64 model from 2.07 to near-SOTA 1.55, and after re-training with our proposed improvements to a new SOTA of 1.36.

Score-based diffusion models, while achieving remarkable empirical performance, often suffer from low sampling speed, due to extensive function evaluations needed during the sampling phase. Despite a flurry of recent activities towards speeding up diffusion generative modeling in practice, theoretical underpinnings for acceleration techniques remain severely limited. In this paper, we design novel training-free algorithms to accelerate popular deterministic (i.e., DDIM) and stochastic (i.e., DDPM) samplers. Our accelerated deterministic sampler converges at a rate O(1/{T}^2) with T the number of steps, improving upon the O(1/T) rate for the DDIM sampler; and our accelerated stochastic sampler converges at a rate O(1/T), outperforming the rate O(1/T) for the DDPM sampler. The design of our algorithms leverages insights from higher-order approximation, and shares similar intuitions as popular high-order ODE solvers like the DPM-Solver-2. Our theory accommodates ell_2-accurate score estimates, and does not require log-concavity or smoothness on the target distribution.

State-of-the-art deep learning models have a parameter count that reaches into the billions. Training, storing and transferring such models is energy and time consuming, thus costly. A big part of these costs is caused by training the network. Model compression lowers storage and transfer costs, and can further make training more efficient by decreasing the number of computations in the forward and/or backward pass. Thus, compressing networks also at training time while maintaining a high performance is an important research topic. This work is a survey on methods which reduce the number of trained weights in deep learning models throughout the training. Most of the introduced methods set network parameters to zero which is called pruning. The presented pruning approaches are categorized into pruning at initialization, lottery tickets and dynamic sparse training. Moreover, we discuss methods that freeze parts of a network at its random initialization. By freezing weights, the number of trainable parameters is shrunken which reduces gradient computations and the dimensionality of the model's optimization space. In this survey we first propose dimensionality reduced training as an underlying mathematical model that covers pruning and freezing during training. Afterwards, we present and discuss different dimensionality reduced training methods.

Diffusion models, as a kind of powerful generative model, have given impressive results on image super-resolution (SR) tasks. However, due to the randomness introduced in the reverse process of diffusion models, the performances of diffusion-based SR models are fluctuating at every time of sampling, especially for samplers with few resampled steps. This inherent randomness of diffusion models results in ineffectiveness and instability, making it challenging for users to guarantee the quality of SR results. However, our work takes this randomness as an opportunity: fully analyzing and leveraging it leads to the construction of an effective plug-and-play sampling method that owns the potential to benefit a series of diffusion-based SR methods. More in detail, we propose to steadily sample high-quality SR images from pre-trained diffusion-based SR models by solving diffusion ordinary differential equations (diffusion ODEs) with optimal boundary conditions (BCs) and analyze the characteristics between the choices of BCs and their corresponding SR results. Our analysis shows the route to obtain an approximately optimal BC via an efficient exploration in the whole space. The quality of SR results sampled by the proposed method with fewer steps outperforms the quality of results sampled by current methods with randomness from the same pre-trained diffusion-based SR model, which means that our sampling method "boosts" current diffusion-based SR models without any additional training.

Randomly initialized dense networks contain subnetworks that achieve high accuracy without weight learning--strong lottery tickets (SLTs). Recently, Gadhikar et al. (2023) demonstrated that SLTs could also be found within a randomly pruned source network. This phenomenon can be exploited to further compress the small memory size required by SLTs. However, their method is limited to SLTs that are even sparser than the source, leading to worse accuracy due to unintentionally high sparsity. This paper proposes a method for reducing the SLT memory size without restricting the sparsity of the SLTs that can be found. A random subset of the initial weights is frozen by either permanently pruning them or locking them as a fixed part of the SLT, resulting in a smaller model size. Experimental results show that Edge-Popup (Ramanujan et al., 2020; Sreenivasan et al., 2022) finds SLTs with better accuracy-to-model size trade-off within frozen networks than within dense or randomly pruned source networks. In particular, freezing 70% of a ResNet on ImageNet provides 3.3 times compression compared to the SLT found within a dense counterpart, raises accuracy by up to 14.12 points compared to the SLT found within a randomly pruned counterpart, and offers a better accuracy-model size trade-off than both.

Matrix-based preconditioned optimizers, such as Muon, have recently been shown to be more efficient than scalar-based optimizers for training large-scale neural networks, including large language models (LLMs). On the other hand, recent benchmarks on optimizers for LLM pre-training have demonstrated that variance-reduction techniques such as MARS can achieve substantial speedups over standard optimizers that do not employ variance reduction. In this paper, to achieve the best of both worlds, we introduce MARS-M, a new optimizer that integrates the variance reduction technique in MARS with Muon. Under standard regularity conditions, we prove that Muon-M converges to a first-order stationary point at a rate of mathcal{O}(T^{-1/3}), which improves upon mathcal{O}(T^{-1/4}) rate attained by Muon. Our empirical results on language modeling and computer vision tasks demonstrate that MARS-M consistently yields lower losses and improved performance across various downstream benchmarks. The implementation of MARS-M is available at https://github.com/AGI-Arena/MARS/MARS_M.

The Lottery Ticket Hypothesis demonstrated that sparse subnetworks can match full-model performance, suggesting parameter redundancy. Meanwhile, in Reinforcement Learning with Verifiable Rewards (RLVR), recent work has shown that updates concentrate on a sparse subset of parameters, which further lends evidence to this underlying redundancy. We study the simplest possible way to exploit this redundancy: training only a randomly selected subset of parameters at extreme sparsities. Empirically, we find that training just 1\% of parameters matches or exceeds full-parameter RLVR finetuning across 3 models and 2 task domains. Moreover, different random masks show minimal overlap (leq 0.005 Jaccard similarity) and yet all succeed, suggesting pretrained models contain many viable sparse subnetworks rather than one privileged set. We term this the Multiple Ticket Hypothesis. We explain this phenomenon through the implicit per-step KL constraint in RLVR, which restricts updates to a low-dimensional subspace, enabling arbitrary sparse masks to succeed.

We design a suite of minimal algorithmic tasks that are a loose abstraction of open-ended real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended stochastic planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; comparatively, multi-token approaches, namely teacherless training and diffusion models, excel in producing diverse and original output. Secondly, in our tasks, we find that to elicit randomness from the Transformer without hurting coherence, it is better to inject noise right at the input layer (via a method we dub hash-conditioning) rather than defer to temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and softmax-based sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

Recent studies have shown that diffusion language models achieve remarkable data efficiency under limited-data constraints, yet the underlying mechanisms remain unclear. In this work, we perform extensive ablation experiments to disentangle the sources of this efficiency. Our results show that random masking of input tokens plays the dominant role. We further show that similar gains can be obtained through in MLP dropout and weight decay, indicating that stochastic regularization broadly enhances data efficiency in multi-epoch training. Our code is available at https://github.com/zitian-gao/data-efficiency.

Solving partial differential equations (PDEs) is a central task in scientific computing. Recently, neural network approximation of PDEs has received increasing attention due to its flexible meshless discretization and its potential for high-dimensional problems. One fundamental numerical difficulty is that random samples in the training set introduce statistical errors into the discretization of loss functional which may become the dominant error in the final approximation, and therefore overshadow the modeling capability of the neural network. In this work, we propose a new minmax formulation to optimize simultaneously the approximate solution, given by a neural network model, and the random samples in the training set, provided by a deep generative model. The key idea is to use a deep generative model to adjust random samples in the training set such that the residual induced by the approximate PDE solution can maintain a smooth profile when it is being minimized. Such an idea is achieved by implicitly embedding the Wasserstein distance between the residual-induced distribution and the uniform distribution into the loss, which is then minimized together with the residual. A nearly uniform residual profile means that its variance is small for any normalized weight function such that the Monte Carlo approximation error of the loss functional is reduced significantly for a certain sample size. The adversarial adaptive sampling (AAS) approach proposed in this work is the first attempt to formulate two essential components, minimizing the residual and seeking the optimal training set, into one minmax objective functional for the neural network approximation of PDEs.

Breakthroughs in machine learning (ML) and advances in quantum computing (QC) drive the interdisciplinary field of quantum machine learning to new levels. However, due to the susceptibility of ML models to adversarial attacks, practical use raises safety-critical concerns. Existing Randomized Smoothing (RS) certification methods for classical machine learning models are computationally intensive. In this paper, we propose the combination of QC and the concept of discrete randomized smoothing to speed up the stochastic certification of ML models for discrete data. We show how to encode all the perturbations of the input binary data in superposition and use Quantum Amplitude Estimation (QAE) to obtain a quadratic reduction in the number of calls to the model that are required compared to traditional randomized smoothing techniques. In addition, we propose a new binary threat model to allow for an extensive evaluation of our approach on images, graphs, and text.

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed solver schedule has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose S^3, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that S^3 can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 10 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply S^3 to Stable-Diffusion model and get an acceleration ratio of 2times, showing the feasibility of sampling in very few steps without retraining the neural network.

Randomized controlled trials (RCTs) are the benchmark for causal inference, yet field implementation can deviate. We here present a remote audit - a design-based, preregistrable diagnostic that uses only pre-treatment satellite imagery to test whether assignment is independent of local conditions. The conditional randomization test of the remote audit evaluates whether treatment assignment is more predictable from pre-treatment satellite features than expected under the experiment's registered mechanism, providing a finite-sample valid, design-based diagnostic that requires no parametric assumptions. The procedure is finite-sample valid, honors blocks and clusters, and controls multiplicity across image models and resolutions via a max-statistic. We illustrate with two RCTs: Uganda's Youth Opportunities Program, where the audit corroborates randomization and flags selection and missing-data risks; and a school-based trial in Bangladesh, where assignment is highly predictable from pre-treatment features relative to the stated design, consistent with independent concerns about irregularities. Remote audits complement balance tests, lower early-stage costs, and enable rapid design checks when baseline surveys are expensive or infeasible.

The lottery ticket hypothesis has sparked the rapid development of pruning algorithms that aim to reduce the computational costs associated with deep learning during training and model deployment. Currently, such algorithms are primarily evaluated on imaging data, for which we lack ground truth information and thus the understanding of how sparse lottery tickets could be. To fill this gap, we develop a framework that allows us to plant and hide winning tickets with desirable properties in randomly initialized neural networks. To analyze the ability of state-of-the-art pruning to identify tickets of extreme sparsity, we design and hide such tickets solving four challenging tasks. In extensive experiments, we observe similar trends as in imaging studies, indicating that our framework can provide transferable insights into realistic problems. Additionally, we can now see beyond such relative trends and highlight limitations of current pruning methods. Based on our results, we conclude that the current limitations in ticket sparsity are likely of algorithmic rather than fundamental nature. We anticipate that comparisons to planted tickets will facilitate future developments of efficient pruning algorithms.

Restart techniques are common in gradient-free optimization to deal with multimodal functions. Partial warm restarts are also gaining popularity in gradient-based optimization to improve the rate of convergence in accelerated gradient schemes to deal with ill-conditioned functions. In this paper, we propose a simple warm restart technique for stochastic gradient descent to improve its anytime performance when training deep neural networks. We empirically study its performance on the CIFAR-10 and CIFAR-100 datasets, where we demonstrate new state-of-the-art results at 3.14% and 16.21%, respectively. We also demonstrate its advantages on a dataset of EEG recordings and on a downsampled version of the ImageNet dataset. Our source code is available at https://github.com/loshchil/SGDR

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications. Towards this, we examine the effect of shaping the distribution at intermediate noise levels induced by diffusion models. First, we show that existing variants of Rejection sAmpling based Fine-Tuning (RAFT), which we unify as GRAFT, can implicitly perform KL regularized reward maximization with reshaped rewards. Motivated by this observation, we introduce P-GRAFT to shape distributions at intermediate noise levels and demonstrate empirically that this can lead to more effective fine-tuning. We mathematically explain this via a bias-variance tradeoff. Next, we look at correcting learning errors in pre-trained flow models based on the developed mathematical framework. In particular, we propose inverse noise correction, a novel algorithm to improve the quality of pre-trained flow models without explicit rewards. We empirically evaluate our methods on text-to-image(T2I) generation, layout generation, molecule generation and unconditional image generation. Notably, our framework, applied to Stable Diffusion v2, improves over policy gradient methods on popular T2I benchmarks in terms of VQAScore and shows an 8.81% relative improvement over the base model. For unconditional image generation, inverse noise correction improves FID of generated images at lower FLOPs/image.

The label scarcity problem is the main challenge that hinders the wide application of deep learning systems in automatic cardiovascular diseases (CVDs) detection using electrocardiography (ECG). Tuning pre-trained models alleviates this problem by transferring knowledge learned from large datasets to downstream small datasets. However, bottlenecks in computational efficiency and detection performance limit its clinical applications. It is difficult to improve the detection performance without significantly sacrificing the computational efficiency during model training. Here, we propose a computation-efficient semi-supervised learning paradigm (CE-SSL) for robust and computation-efficient CVDs detection using ECG. It enables a robust adaptation of pre-trained models on downstream datasets with limited supervision and high computational efficiency. First, a random-deactivation technique is developed to achieve robust and fast low-rank adaptation of pre-trained weights. Subsequently, we propose a one-shot rank allocation module to determine the optimal ranks for the update matrices of the pre-trained weights. Finally, a lightweight semi-supervised learning pipeline is introduced to enhance model performance by leveraging labeled and unlabeled data with high computational efficiency. Extensive experiments on four downstream datasets demonstrate that CE-SSL not only outperforms the state-of-the-art methods in multi-label CVDs detection but also consumes fewer GPU footprints, training time, and parameter storage space. As such, this paradigm provides an effective solution for achieving high computational efficiency and robust detection performance in the clinical applications of pre-trained models under limited supervision. Code and Supplementary Materials are available at https://github.com/KAZABANA/CE-SSL

Diffusion probabilistic models have been shown to generate state-of-the-art results on several competitive image synthesis benchmarks but lack a low-dimensional, interpretable latent space, and are slow at generation. On the other hand, standard Variational Autoencoders (VAEs) typically have access to a low-dimensional latent space but exhibit poor sample quality. We present DiffuseVAE, a novel generative framework that integrates VAE within a diffusion model framework, and leverage this to design novel conditional parameterizations for diffusion models. We show that the resulting model equips diffusion models with a low-dimensional VAE inferred latent code which can be used for downstream tasks like controllable synthesis. The proposed method also improves upon the speed vs quality tradeoff exhibited in standard unconditional DDPM/DDIM models (for instance, FID of 16.47 vs 34.36 using a standard DDIM on the CelebA-HQ-128 benchmark using T=10 reverse process steps) without having explicitly trained for such an objective. Furthermore, the proposed model exhibits synthesis quality comparable to state-of-the-art models on standard image synthesis benchmarks like CIFAR-10 and CelebA-64 while outperforming most existing VAE-based methods. Lastly, we show that the proposed method exhibits inherent generalization to different types of noise in the conditioning signal. For reproducibility, our source code is publicly available at https://github.com/kpandey008/DiffuseVAE.

Despite the success of Random Network Distillation (RND) in various domains, it was shown as not discriminative enough to be used as an uncertainty estimator for penalizing out-of-distribution actions in offline reinforcement learning. In this paper, we revisit these results and show that, with a naive choice of conditioning for the RND prior, it becomes infeasible for the actor to effectively minimize the anti-exploration bonus and discriminativity is not an issue. We show that this limitation can be avoided with conditioning based on Feature-wise Linear Modulation (FiLM), resulting in a simple and efficient ensemble-free algorithm based on Soft Actor-Critic. We evaluate it on the D4RL benchmark, showing that it is capable of achieving performance comparable to ensemble-based methods and outperforming ensemble-free approaches by a wide margin.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).

We study the role of batch size in stochastic conditional gradient methods under a μ-Kurdyka-Łojasiewicz (μ-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.

Linear attention and state-space models offer constant-memory alternatives to softmax attention, but often struggle with in-context associative recall. The Delta Rule mitigates this by writing each token via one step of online gradient descent. However, its step size relies on a single scalar gate that ignores the feature-wise curvature of the inner objective. We propose Online Scaled DeltaNet (OSDN), which augments the scalar gate with a diagonal preconditioner updated online via hypergradient feedback. Crucially, this right-preconditioning is algebraically equivalent to a per-feature scaling of the write-side key. This equivalence allows OSDN to strictly preserve the hardware-friendly chunkwise parallel pipeline of DeltaNet without incurring high-dimensional state overhead. Theoretically, by exploiting the exact-quadratic structure of the inner regression loss, we establish super-geometric convergence against a right-Newton comparator and prove an algorithm-aligned token-local residual contraction bound. To handle non-stationary contexts, we further introduce Adaptive Preconditioner Forgetting (APF) to dynamically refresh stale calibration. Empirically, OSDN demonstrates strong performance across scales. At the 340M-parameter scale, OSDN improves JRT-style in-context recall by 32% over DeltaNet. Scaling to 1.3B parameters, it achieves a 39% reduction in the recall residual ratio while maintaining parity on general downstream tasks (e.g., perplexity and LongBench) -- demonstrating that our online-preconditioning mechanism effectively transfers and amplifies at the billion-parameter scale.

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

Designing biological sequences is an important challenge that requires satisfying complex constraints and thus is a natural problem to address with deep generative modeling. Diffusion generative models have achieved considerable success in many applications. Score-based generative stochastic differential equations (SDE) model is a continuous-time diffusion model framework that enjoys many benefits, but the originally proposed SDEs are not naturally designed for modeling discrete data. To develop generative SDE models for discrete data such as biological sequences, here we introduce a diffusion process defined in the probability simplex space with stationary distribution being the Dirichlet distribution. This makes diffusion in continuous space natural for modeling discrete data. We refer to this approach as Dirchlet diffusion score model. We demonstrate that this technique can generate samples that satisfy hard constraints using a Sudoku generation task. This generative model can also solve Sudoku, including hard puzzles, without additional training. Finally, we applied this approach to develop the first human promoter DNA sequence design model and showed that designed sequences share similar properties with natural promoter sequences.

Gradient descent has proven to be a powerful and effective technique for optimization in numerous machine learning applications. Recent advances in computational neuroscience have shown that learning in standard gradient descent optimization formulation is not consistent with learning in biological systems. This has opened up interesting avenues for building biologically inspired learning techniques. One such approach is inspired by Dale's law, which states that inhibitory and excitatory synapses do not swap roles during the course of learning. The resulting exponential gradient descent optimization scheme leads to log-normally distributed synaptic weights. Interestingly, the density that satisfies the Fokker-Planck equation corresponding to the stochastic differential equation (SDE) with geometric Brownian motion (GBM) is the log-normal density. Leveraging this connection, we start with the SDE governing geometric Brownian motion, and show that discretizing the corresponding reverse-time SDE yields a multiplicative update rule, which surprisingly, coincides with the sampling equivalent of the exponential gradient descent update founded on Dale's law. Furthermore, we propose a new formalism for multiplicative denoising score-matching, subsuming the loss function proposed by Hyvaerinen for non-negative data. Indeed, log-normally distributed data is positive and the proposed score-matching formalism turns out to be a natural fit. This allows for training of score-based models for image data and results in a novel multiplicative update scheme for sample generation starting from a log-normal density. Experimental results on MNIST, Fashion MNIST, and Kuzushiji datasets demonstrate generative capability of the new scheme. To the best of our knowledge, this is the first instance of a biologically inspired generative model employing multiplicative updates, founded on geometric Brownian motion.

Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic L^2(Ω)-error bounds for FK-PINNs with tanh activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of tanh neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.

Recent machine learning papers often report 1-2 percentage point improvements from a single run on a benchmark. These gains are highly sensitive to random seeds, data ordering, and implementation details, yet are rarely accompanied by uncertainty estimates or significance tests. It is therefore unclear when a reported +1-2% reflects a real algorithmic advance versus noise. We revisit this problem under realistic compute budgets, where only a few runs are affordable. We propose a simple, PC-friendly evaluation protocol based on paired multi-seed runs, bias-corrected and accelerated (BCa) bootstrap confidence intervals, and a sign-flip permutation test on per-seed deltas. The protocol is intentionally conservative and is meant as a guardrail against over-claiming. We instantiate it on CIFAR-10, CIFAR-10N, and AG News using synthetic no-improvement, small-gain, and medium-gain scenarios. Single runs and unpaired t-tests often suggest significant gains for 0.6-2.0 point improvements, especially on text. With only three seeds, our paired protocol never declares significance in these settings. We argue that such conservative evaluation is a safer default for small gains under tight budgets.

Data-driven surrogate models improve the efficiency of simulating continuous dynamical systems, yet their autoregressive rollouts are often limited by instability and spectral blow-up. While global regularization techniques can enforce contractive dynamics, they uniformly damp high-frequency features, introducing a contraction-dissipation dilemma. Furthermore, long-horizon trajectory optimization methods that explicitly correct drift are bottlenecked by memory constraints. In this work, we propose Jacobian-Adaptive Weighting for Stability (JAWS), a probabilistic regularization strategy designed to mitigate these limitations. By framing operator learning as Maximum A Posteriori (MAP) estimation with spatially heteroscedastic uncertainty, JAWS dynamically modulates the regularization strength based on local physical complexity. This allows the model to enforce contraction in smooth regions to suppress noise, while relaxing constraints near singular features to preserve gradients, effectively realizing a behavior similar to numerical shock-capturing schemes. Experiments demonstrate that this spatially-adaptive prior serves as an effective spectral pre-conditioner, which reduces the base operator's burden of handling high-frequency instabilities. This reduction enables memory-efficient, short-horizon trajectory optimization to match or exceed the long-term accuracy of long-horizon baselines. Evaluated on the 1D viscous Burgers' equation, our hybrid approach improves long-term stability, shock fidelity, and out-of-distribution generalization while reducing training computational costs.

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding of graduate-level concepts such as Langevin dynamics or score matching appears to be required to grasp how it works. We propose an alternative approach that requires no more than undergrad calculus and probability. We consider two densities and observe what happens when random samples from these densities are blended (linearly interpolated). We show that iteratively blending and deblending samples produces random paths between the two densities that converge toward a deterministic mapping. This mapping can be evaluated with a neural network trained to deblend samples. We obtain a model that behaves like deterministic denoising diffusion: it iteratively maps samples from one density (e.g., Gaussian noise) to another (e.g., cat images). However, compared to the state-of-the-art alternative, our model is simpler to derive, simpler to implement, more numerically stable, achieves higher quality results in our experiments, and has interesting connections to computer graphics.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

Large language models (LLMs) exhibit cognitive biases -- systematic tendencies of irrational decision-making, similar to those seen in humans. Prior work has found that these biases vary across models and can be amplified by instruction tuning. However, it remains unclear if these differences in biases stem from pretraining, finetuning, or even random noise due to training stochasticity. We propose a two-step causal experimental approach to disentangle these factors. First, we finetune models multiple times using different random seeds to study how training randomness affects over 30 cognitive biases. Second, we introduce cross-tuning -- swapping instruction datasets between models to isolate bias sources. This swap uses datasets that led to different bias patterns, directly testing whether biases are dataset-dependent. Our findings reveal that while training randomness introduces some variability, biases are mainly shaped by pretraining: models with the same pretrained backbone exhibit more similar bias patterns than those sharing only finetuning data. These insights suggest that understanding biases in finetuned models requires considering their pretraining origins beyond finetuning effects. This perspective can guide future efforts to develop principled strategies for evaluating and mitigating bias in LLMs.

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

Fully connected layers are a primary source of memory and computational overhead in deep neural networks due to their dense, often redundant parameterization. While various compression techniques exist, they frequently introduce complex engineering trade-offs or degrade model performance. We propose the Parametrized Random Projection (PRP) layer, a novel approach that decouples feature mixing from adaptation by utilizing a fixed random matrix modulated by lightweight, learnable element-wise parameters. This architecture drastically reduces the trainable parameter count to a linear scale while retaining reliable accuracy across various benchmarks. The design serves as a stable, computationally efficient solution for architectural scaling and deployment in resource-limited settings.

We define a probabilistic programming language for Gaussian random variables with a first-class exact conditioning construct. We give operational, denotational and equational semantics for this language, establishing convenient properties like exchangeability of conditions. Conditioning on equality of continuous random variables is nontrivial, as the exact observation may have probability zero; this is Borel's paradox. Using categorical formulations of conditional probability, we show that the good properties of our language are not particular to Gaussians, but can be derived from universal properties, thus generalizing to wider settings. We define the Cond construction, which internalizes conditioning as a morphism, providing general compositional semantics for probabilistic programming with exact conditioning.

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

Diffusion and flow matching models generate high-fidelity data by simulating paths defined by Ordinary or Stochastic Differential Equations (ODEs/SDEs), starting from a tractable prior distribution. The probability flow ODE formulation enables the use of advanced numerical solvers to accelerate sampling. Orthogonal yet vital to solver design is the discretization strategy. While early approaches employed handcrafted heuristics and recent methods adopt optimization-based techniques, most existing strategies enforce a globally shared timestep schedule across all samples. This uniform treatment fails to account for instance-specific complexity in the generative process, potentially limiting performance. Motivated by controlled experiments on synthetic data, which reveals the suboptimality of global schedules under instance-specific dynamics, we propose an instance-aware discretization framework. Our method learns to adapt timestep allocations based on input-dependent priors, extending gradient-based discretization search to the conditional generative setting. Empirical results across diverse settings, including synthetic data, pixel-space diffusion, latent-space images and video flow matching models, demonstrate that our method consistently improves generation quality with marginal tuning cost compared to training and negligible inference overhead.

Training learned image compression (LIC) models entails navigating a challenging optimization landscape defined by the fundamental trade-off between rate and distortion. Standard first-order optimizers, such as SGD and Adam, struggle with gradient conflicts arising from competing objectives, leading to slow convergence and suboptimal rate-distortion performance. In this work, we demonstrate that a simple utilization of a second-order quasi-Newton optimizer, SOAP, dramatically improves both training efficiency and final performance across diverse LICs. Our theoretical and empirical analyses reveal that Newton preconditioning inherently resolves the intra-step and inter-step update conflicts intrinsic to the R-D objective, facilitating faster, more stable convergence. Beyond acceleration, we uncover a critical deployability benefit: second-order trained models exhibit significantly fewer activation and latent outliers. This substantially enhances robustness to post-training quantization. Together, these results establish second-order optimization, achievable as a seamless drop-in replacement of the imported optimizer, as a powerful, practical tool for advancing the efficiency and real-world readiness of LICs.

Iterative algorithms based on thresholding, feedback and null space tuning (NST+HT+FB) for sparse signal recovery are exceedingly effective and fast, particularly for large scale problems. The core algorithm is shown to converge in finitely many steps under a (preconditioned) restricted isometry condition. In this paper, we present a new perspective to analyze the algorithm, which turns out that the efficiency of the algorithm can be further elaborated by an estimate of the number of iterations for the guaranteed convergence. The convergence condition of NST+HT+FB is also improved. Moreover, an adaptive scheme (AdptNST+HT+FB) without the knowledge of the sparsity level is proposed with its convergence guarantee. The number of iterations for the finite step of convergence of the AdptNST+HT+FB scheme is also derived. It is further shown that the number of iterations can be significantly reduced by exploiting the structure of the specific sparse signal or the random measurement matrix.

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

This paper presents a parallel random-search method for reducing additive complexity in fast matrix multiplication. The approach replaces expensive exact evaluation with fast heuristic scoring, including the new Greedy-Intersections strategy. The method runs many independent common subexpression elimination processes in parallel, exploring the search space through random pair substitutions and diverse selection strategies while sharing promising partial solutions. Tested on 164 ternary-coefficient schemes, the method achieves lower addition counts than the state-of-the-art Greedy-Potential on 103 schemes, matches it on 59, and is outperformed on 2. For most schemes, it gives equal or better results while being much faster, making it practical for algorithm exploration. All software and results are open source.

A World Model is a generative model used to simulate an environment. World Models have proven capable of learning spatial and temporal representations of Reinforcement Learning environments. In some cases, a World Model offers an agent the opportunity to learn entirely inside of its own dream environment. In this work we explore improving the generalization capabilities from dream environments to real environments (Dream2Real). We present a general approach to improve a controller's ability to transfer from a neural network dream environment to reality at little additional cost. These improvements are gained by drawing on inspiration from Domain Randomization, where the basic idea is to randomize as much of a simulator as possible without fundamentally changing the task at hand. Generally, Domain Randomization assumes access to a pre-built simulator with configurable parameters but oftentimes this is not available. By training the World Model using dropout, the dream environment is capable of creating a nearly infinite number of different dream environments. Previous use cases of dropout either do not use dropout at inference time or averages the predictions generated by multiple sampled masks (Monte-Carlo Dropout). Dropout's Dream Land leverages each unique mask to create a diverse set of dream environments. Our experimental results show that Dropout's Dream Land is an effective technique to bridge the reality gap between dream environments and reality. Furthermore, we additionally perform an extensive set of ablation studies.

Randomized controlled trials are susceptible to imbalance on covariates predictive of the outcome. Rerandomization and deterministic treatment assignment are two proposed solutions. This paper explores the relationship between rerandomization and deterministic assignment, showing how deterministic assignment is an extreme case of rerandomization. The paper argues that in small experiments, both fully randomized and fully deterministic assignment have limitations. Instead, the researcher should consider setting the rerandomization acceptance probability based on an analysis of covariates and assumptions about the data structure to achieve an optimal alignment between randomness and balance. This allows for the calculation of minimum p-values along with valid permutation tests and fiducial intervals. The paper also introduces tools, including a new, open-source R package named fastrerandomize, to implement rerandomization and explore options for optimal rerandomization acceptance thresholds.

Robustness is essential for deep neural networks, especially in security-sensitive applications. To this end, randomized smoothing provides theoretical guarantees for certifying robustness against adversarial perturbations. Recently, diffusion models have been successfully employed for randomized smoothing to purify noise-perturbed samples before making predictions with a standard classifier. While these methods excel at small perturbation radii, they struggle with larger perturbations and incur a significant computational overhead during inference compared to classical methods. To address this, we reformulate the generative modeling task along the diffusion trajectories in pixel space as a discriminative task in the latent space. Specifically, we use instance discrimination to achieve consistent representations along the trajectories by aligning temporally adjacent points. After fine-tuning based on the learned representations, our model enables implicit denoising-then-classification via a single prediction, substantially reducing inference costs. We conduct extensive experiments on various datasets and achieve state-of-the-art performance with minimal computation budget during inference. For example, our method outperforms the certified accuracy of diffusion-based methods on ImageNet across all perturbation radii by 5.3% on average, with up to 11.6% at larger radii, while reducing inference costs by 85times on average. Codes are available at: https://github.com/jiachenlei/rRCM.