Daily Papers

Adversarial Training (AT) with Projected Gradient Descent (PGD) is an effective approach for improving the robustness of the deep neural networks. However, PGD AT has been shown to suffer from two main limitations: i) high computational cost, and ii) extreme overfitting during training that leads to reduction in model generalization. While the effect of factors such as model capacity and scale of training data on adversarial robustness have been extensively studied, little attention has been paid to the effect of a very important parameter in every network optimization on adversarial robustness: the learning rate. In particular, we hypothesize that effective learning rate scheduling during adversarial training can significantly reduce the overfitting issue, to a degree where one does not even need to adversarially train a model from scratch but can instead simply adversarially fine-tune a pre-trained model. Motivated by this hypothesis, we propose a simple yet very effective adversarial fine-tuning approach based on a slow start, fast decay learning rate scheduling strategy which not only significantly decreases computational cost required, but also greatly improves the accuracy and robustness of a deep neural network. Experimental results show that the proposed adversarial fine-tuning approach outperforms the state-of-the-art methods on CIFAR-10, CIFAR-100 and ImageNet datasets in both test accuracy and the robustness, while reducing the computational cost by 8-10times. Furthermore, a very important benefit of the proposed adversarial fine-tuning approach is that it enables the ability to improve the robustness of any pre-trained deep neural network without needing to train the model from scratch, which to the best of the authors' knowledge has not been previously demonstrated in research literature.

While neural networks allow highly accurate predictions in many tasks, their lack of robustness towards even slight input perturbations often hampers their deployment. Adversarial attacks such as the seminal projected gradient descent (PGD) offer an effective means to evaluate a model's robustness and dedicated solutions have been proposed for attacks on semantic segmentation or optical flow estimation. While they attempt to increase the attack's efficiency, a further objective is to balance its effect, so that it acts on the entire image domain instead of isolated point-wise predictions. This often comes at the cost of optimization stability and thus efficiency. Here, we propose CosPGD, an attack that encourages more balanced errors over the entire image domain while increasing the attack's overall efficiency. To this end, CosPGD leverages a simple alignment score computed from any pixel-wise prediction and its target to scale the loss in a smooth and fully differentiable way. It leads to efficient evaluations of a model's robustness for semantic segmentation as well as regression models (such as optical flow, disparity estimation, or image restoration), and it allows it to outperform the previous SotA attack on semantic segmentation. We provide code for the CosPGD algorithm and example usage at https://github.com/shashankskagnihotri/cospgd.

Unrestricted adversarial attacks present a serious threat to deep learning models and adversarial defense techniques. They pose severe security problems for deep learning applications because they can effectively bypass defense mechanisms. However, previous attack methods often directly inject Projected Gradient Descent (PGD) gradients into the sampling of generative models, which are not theoretically provable and thus generate unrealistic examples by incorporating adversarial objectives, especially for GAN-based methods on large-scale datasets like ImageNet. In this paper, we propose a new method, called AdvDiff, to generate unrestricted adversarial examples with diffusion models. We design two novel adversarial guidance techniques to conduct adversarial sampling in the reverse generation process of diffusion models. These two techniques are effective and stable in generating high-quality, realistic adversarial examples by integrating gradients of the target classifier interpretably. Experimental results on MNIST and ImageNet datasets demonstrate that AdvDiff is effective in generating unrestricted adversarial examples, which outperforms state-of-the-art unrestricted adversarial attack methods in terms of attack performance and generation quality.

As large language models become increasingly integrated into daily life, audio has emerged as a key interface for human-AI interaction. However, this convenience also introduces new vulnerabilities, making audio a potential attack surface for adversaries. Our research introduces WhisperInject, a two-stage adversarial audio attack framework that can manipulate state-of-the-art audio language models to generate harmful content. Our method uses imperceptible perturbations in audio inputs that remain benign to human listeners. The first stage uses a novel reward-based optimization method, Reinforcement Learning with Projected Gradient Descent (RL-PGD), to guide the target model to circumvent its own safety protocols and generate harmful native responses. This native harmful response then serves as the target for Stage 2, Payload Injection, where we use Projected Gradient Descent (PGD) to optimize subtle perturbations that are embedded into benign audio carriers, such as weather queries or greeting messages. Validated under the rigorous StrongREJECT, LlamaGuard, as well as Human Evaluation safety evaluation framework, our experiments demonstrate a success rate exceeding 86% across Qwen2.5-Omni-3B, Qwen2.5-Omni-7B, and Phi-4-Multimodal. Our work demonstrates a new class of practical, audio-native threats, moving beyond theoretical exploits to reveal a feasible and covert method for manipulating AI behavior.

Pretraining methods are typically compared by evaluating the accuracy of linear classifiers, transfer learning performance, or visually inspecting the representation manifold's (RM) lower-dimensional projections. We show that the differences between methods can be understood more clearly by investigating the RM directly, which allows for a more detailed comparison. To this end, we propose a framework and new metric to measure and compare different RMs. We also investigate and report on the RM characteristics for various pretraining methods. These characteristics are measured by applying sequentially larger local alterations to the input data, using white noise injections and Projected Gradient Descent (PGD) adversarial attacks, and then tracking each datapoint. We calculate the total distance moved for each datapoint and the relative change in distance between successive alterations. We show that self-supervised methods learn an RM where alterations lead to large but constant size changes, indicating a smoother RM than fully supervised methods. We then combine these measurements into one metric, the Representation Manifold Quality Metric (RMQM), where larger values indicate larger and less variable step sizes, and show that RMQM correlates positively with performance on downstream tasks.

Adversarial training (AT) has been demonstrated as one of the most promising defense methods against various adversarial attacks. To our knowledge, existing AT-based methods usually train with the locally most adversarial perturbed points and treat all the perturbed points equally, which may lead to considerably weaker adversarial robust generalization on test data. In this work, we introduce a new adversarial training framework that considers the diversity as well as characteristics of the perturbed points in the vicinity of benign samples. To realize the framework, we propose a Regional Adversarial Training (RAT) defense method that first utilizes the attack path generated by the typical iterative attack method of projected gradient descent (PGD), and constructs an adversarial region based on the attack path. Then, RAT samples diverse perturbed training points efficiently inside this region, and utilizes a distance-aware label smoothing mechanism to capture our intuition that perturbed points at different locations should have different impact on the model performance. Extensive experiments on several benchmark datasets show that RAT consistently makes significant improvement on standard adversarial training (SAT), and exhibits better robust generalization.

Recent work has shown that the training of a one-hidden-layer, scalar-output fully-connected ReLU neural network can be reformulated as a finite-dimensional convex program. Unfortunately, the scale of such a convex program grows exponentially in data size. In this work, we prove that a stochastic procedure with a linear complexity well approximates the exact formulation. Moreover, we derive a convex optimization approach to efficiently solve the "adversarial training" problem, which trains neural networks that are robust to adversarial input perturbations. Our method can be applied to binary classification and regression, and provides an alternative to the current adversarial training methods, such as Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD). We demonstrate in experiments that the proposed method achieves a noticeably better adversarial robustness and performance than the existing methods.

To enable learning on edge devices with fast convergence and low memory, we present a novel backpropagation-free optimization algorithm dubbed Target Projection Stochastic Gradient Descent (tpSGD). tpSGD generalizes direct random target projection to work with arbitrary loss functions and extends target projection for training recurrent neural networks (RNNs) in addition to feedforward networks. tpSGD uses layer-wise stochastic gradient descent (SGD) and local targets generated via random projections of the labels to train the network layer-by-layer with only forward passes. tpSGD doesn't require retaining gradients during optimization, greatly reducing memory allocation compared to SGD backpropagation (BP) methods that require multiple instances of the entire neural network weights, input/output, and intermediate results. Our method performs comparably to BP gradient-descent within 5% accuracy on relatively shallow networks of fully connected layers, convolutional layers, and recurrent layers. tpSGD also outperforms other state-of-the-art gradient-free algorithms in shallow models consisting of multi-layer perceptrons, convolutional neural networks (CNNs), and RNNs with competitive accuracy and less memory and time. We evaluate the performance of tpSGD in training deep neural networks (e.g. VGG) and extend the approach to multi-layer RNNs. These experiments highlight new research directions related to optimized layer-based adaptor training for domain-shift using tpSGD at the edge.

We consider the block coordinate descent methods of Gauss-Seidel type with proximal regularization (BCD-PR), which is a classical method of minimizing general nonconvex objectives under constraints that has a wide range of practical applications. We theoretically establish the worst-case complexity bound for this algorithm. Namely, we show that for general nonconvex smooth objectives with block-wise constraints, the classical BCD-PR algorithm converges to an epsilon-stationary point within O(1/epsilon) iterations. Under a mild condition, this result still holds even if the algorithm is executed inexactly in each step. As an application, we propose a provable and efficient algorithm for `Wasserstein CP-dictionary learning', which seeks a set of elementary probability distributions that can well-approximate a given set of d-dimensional joint probability distributions. Our algorithm is a version of BCD-PR that operates in the dual space, where the primal problem is regularized both entropically and proximally.

We investigate a primal-dual (PD) method for the saddle point problem (SPP) that uses a linear approximation of the primal function instead of the standard proximal step, resulting in a linearized PD (LPD) method. For convex-strongly concave SPP, we observe that the LPD method has a suboptimal dependence on the Lipschitz constant of the primal function. To fix this issue, we combine features of Accelerated Gradient Descent with the LPD method resulting in a single-loop Accelerated Linearized Primal-Dual (ALPD) method. ALPD method achieves the optimal gradient complexity when the SPP has a semi-linear coupling function. We also present an inexact ALPD method for SPPs with a general nonlinear coupling function that maintains the optimal gradient evaluations of the primal parts and significantly improves the gradient evaluations of the coupling term compared to the ALPD method. We verify our findings with numerical experiments.

Training machine learning models with differential privacy (DP) has received increasing interest in recent years. One of the most popular algorithms for training differentially private models is differentially private stochastic gradient descent (DPSGD) and its variants, where at each step gradients are clipped and combined with some noise. Given the increasing usage of DPSGD, we ask the question: is DPSGD alone sufficient to find a good minimizer for every dataset under privacy constraints? Towards answering this question, we show that even for the simple case of linear classification, unlike non-private optimization, (private) feature preprocessing is vital for differentially private optimization. In detail, we first show theoretically that there exists an example where without feature preprocessing, DPSGD incurs an optimality gap proportional to the maximum Euclidean norm of features over all samples. We then propose an algorithm called DPSGD-F, which combines DPSGD with feature preprocessing and prove that for classification tasks, it incurs an optimality gap proportional to the diameter of the features max_{x, x' in D} |x - x'|_2. We finally demonstrate the practicality of our algorithm on image classification benchmarks.

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.

Accelerated stochastic gradient descent (ASGD) is a workhorse in deep learning and often achieves better generalization performance than SGD. However, existing optimization theory can only explain the faster convergence of ASGD, but cannot explain its better generalization. In this paper, we study the generalization of ASGD for overparameterized linear regression, which is possibly the simplest setting of learning with overparameterization. We establish an instance-dependent excess risk bound for ASGD within each eigen-subspace of the data covariance matrix. Our analysis shows that (i) ASGD outperforms SGD in the subspace of small eigenvalues, exhibiting a faster rate of exponential decay for bias error, while in the subspace of large eigenvalues, its bias error decays slower than SGD; and (ii) the variance error of ASGD is always larger than that of SGD. Our result suggests that ASGD can outperform SGD when the difference between the initialization and the true weight vector is mostly confined to the subspace of small eigenvalues. Additionally, when our analysis is specialized to linear regression in the strongly convex setting, it yields a tighter bound for bias error than the best-known result.

Modifications to test-time sampling have emerged as an important extension to diffusion algorithms, with the goal of biasing the generative process to achieve a given objective without having to retrain the entire diffusion model. However, generating jointly correlated samples from multiple pre-trained diffusion models while simultaneously enforcing task-specific constraints without costly retraining has remained challenging. To this end, we propose Projected Coupled Diffusion (PCD), a novel test-time framework for constrained joint generation. PCD introduces a coupled guidance term into the generative dynamics to encourage coordination between diffusion models and incorporates a projection step at each diffusion step to enforce hard constraints. Empirically, we demonstrate the effectiveness of PCD in application scenarios of image-pair generation, object manipulation, and multi-robot motion planning. Our results show improved coupling effects and guaranteed constraint satisfaction without incurring excessive computational costs.

We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

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.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

In centralized settings, it is well known that stochastic gradient descent (SGD) avoids saddle points and converges to local minima in nonconvex problems. However, similar guarantees are lacking for distributed first-order algorithms. The paper studies distributed stochastic gradient descent (D-SGD)--a simple network-based implementation of SGD. Conditions under which D-SGD avoids saddle points and converges to local minima are studied. First, we consider the problem of computing critical points. Assuming loss functions are nonconvex and possibly nonsmooth, it is shown that, for each fixed initialization, D-SGD converges to critical points of the loss with probability one. Next, we consider the problem of avoiding saddle points. In this case, we again assume that loss functions may be nonconvex and nonsmooth, but are smooth in a neighborhood of a saddle point. It is shown that, for any fixed initialization, D-SGD avoids such saddle points with probability one. Results are proved by studying the underlying (distributed) gradient flow, using the ordinary differential equation (ODE) method of stochastic approximation, and extending classical techniques from dynamical systems theory such as stable manifolds. Results are proved in the general context of subspace-constrained optimization, of which D-SGD is a special case.

Normalization techniques are a boon for modern deep learning. They let weights converge more quickly with often better generalization performances. It has been argued that the normalization-induced scale invariance among the weights provides an advantageous ground for gradient descent (GD) optimizers: the effective step sizes are automatically reduced over time, stabilizing the overall training procedure. It is often overlooked, however, that the additional introduction of momentum in GD optimizers results in a far more rapid reduction in effective step sizes for scale-invariant weights, a phenomenon that has not yet been studied and may have caused unwanted side effects in the current practice. This is a crucial issue because arguably the vast majority of modern deep neural networks consist of (1) momentum-based GD (e.g. SGD or Adam) and (2) scale-invariant parameters. In this paper, we verify that the widely-adopted combination of the two ingredients lead to the premature decay of effective step sizes and sub-optimal model performances. We propose a simple and effective remedy, SGDP and AdamP: get rid of the radial component, or the norm-increasing direction, at each optimizer step. Because of the scale invariance, this modification only alters the effective step sizes without changing the effective update directions, thus enjoying the original convergence properties of GD optimizers. Given the ubiquity of momentum GD and scale invariance in machine learning, we have evaluated our methods against the baselines on 13 benchmarks. They range from vision tasks like classification (e.g. ImageNet), retrieval (e.g. CUB and SOP), and detection (e.g. COCO) to language modelling (e.g. WikiText) and audio classification (e.g. DCASE) tasks. We verify that our solution brings about uniform gains in those benchmarks. Source code is available at https://github.com/clovaai/AdamP.

Continual learning aims to avoid catastrophic forgetting and effectively leverage learned experiences to master new knowledge. Existing gradient projection approaches impose hard constraints on the optimization space for new tasks to minimize interference, which simultaneously hinders forward knowledge transfer. To address this issue, recent methods reuse frozen parameters with a growing network, resulting in high computational costs. Thus, it remains a challenge whether we can improve forward knowledge transfer for gradient projection approaches using a fixed network architecture. In this work, we propose the Restricted Orthogonal Gradient prOjection (ROGO) framework. The basic idea is to adopt a restricted orthogonal constraint allowing parameters optimized in the direction oblique to the whole frozen space to facilitate forward knowledge transfer while consolidating previous knowledge. Our framework requires neither data buffers nor extra parameters. Extensive experiments have demonstrated the superiority of our framework over several strong baselines. We also provide theoretical guarantees for our relaxing strategy.

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

Recent research shows that when Gradient Descent (GD) is applied to neural networks, the loss almost never decreases monotonically. Instead, the loss oscillates as gradient descent converges to its ''Edge of Stability'' (EoS). Here, we find a quantity that does decrease monotonically throughout GD training: the sharpness attained by the gradient flow solution (GFS)-the solution that would be obtained if, from now until convergence, we train with an infinitesimal step size. Theoretically, we analyze scalar neural networks with the squared loss, perhaps the simplest setting where the EoS phenomena still occur. In this model, we prove that the GFS sharpness decreases monotonically. Using this result, we characterize settings where GD provably converges to the EoS in scalar networks. Empirically, we show that GD monotonically decreases the GFS sharpness in a squared regression model as well as practical neural network architectures.

A major challenge in training large-scale machine learning models is configuring the training process to maximize model performance, i.e., finding the best training setup from a vast design space. In this work, we unlock a gradient-based approach to this problem. We first introduce an algorithm for efficiently calculating metagradients -- gradients through model training -- at scale. We then introduce a "smooth model training" framework that enables effective optimization using metagradients. With metagradient descent (MGD), we greatly improve on existing dataset selection methods, outperform accuracy-degrading data poisoning attacks by an order of magnitude, and automatically find competitive learning rate schedules.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

We first propose a decentralized proximal stochastic gradient tracking method (DProxSGT) for nonconvex stochastic composite problems, with data heterogeneously distributed on multiple workers in a decentralized connected network. To save communication cost, we then extend DProxSGT to a compressed method by compressing the communicated information. Both methods need only O(1) samples per worker for each proximal update, which is important to achieve good generalization performance on training deep neural networks. With a smoothness condition on the expected loss function (but not on each sample function), the proposed methods can achieve an optimal sample complexity result to produce a near-stationary point. Numerical experiments on training neural networks demonstrate the significantly better generalization performance of our methods over large-batch training methods and momentum variance-reduction methods and also, the ability of handling heterogeneous data by the gradient tracking scheme.

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free conditional generation framework that leverages pretrained diffusion models and off-the-shelf neural networks with minimal additional inference cost for a broad range of tasks. Specifically, we leverage the manifold hypothesis to refine the guided diffusion steps and introduce a shortcut algorithm in the process. We then propose two methods for on-manifold training-free guidance using pre-trained autoencoders and demonstrate that our shortcut inherently preserves the manifolds when applied to latent diffusion models. Our experiments show that MPGD is efficient and effective for solving a variety of conditional generation applications in low-compute settings, and can consistently offer up to 3.8x speed-ups with the same number of diffusion steps while maintaining high sample quality compared to the baselines.

Block coordinate descent (BCD) methods are widely used for large-scale numerical optimization because of their cheap iteration costs, low memory requirements, amenability to parallelization, and ability to exploit problem structure. Three main algorithmic choices influence the performance of BCD methods: the block partitioning strategy, the block selection rule, and the block update rule. In this paper we explore all three of these building blocks and propose variations for each that can significantly improve the progress made by each BCD iteration. We (i) propose new greedy block-selection strategies that guarantee more progress per iteration than the Gauss-Southwell rule; (ii) explore practical issues like how to implement the new rules when using "variable" blocks; (iii) explore the use of message-passing to compute matrix or Newton updates efficiently on huge blocks for problems with sparse dependencies between variables; and (iv) consider optimal active manifold identification, which leads to bounds on the "active-set complexity" of BCD methods and leads to superlinear convergence for certain problems with sparse solutions (and in some cases finite termination at an optimal solution). We support all of our findings with numerical results for the classic machine learning problems of least squares, logistic regression, multi-class logistic regression, label propagation, and L1-regularization.

This paper extends the classic theory of convex optimization to the minimization of functions that are equal to the negated logarithm of what we term as a sum-log-concave function, i.e., a sum of log-concave functions. In particular, we show that such functions are in general not convex but still satisfy generalized convexity inequalities. These inequalities unveil the key importance of a certain vector that we call the cross-gradient and that is, in general, distinct from the usual gradient. Thus, we propose the Cross Gradient Descent (XGD) algorithm moving in the opposite direction of the cross-gradient and derive a convergence analysis. As an application of our sum-log-concave framework, we introduce the so-called checkered regression method relying on a sum-log-concave function. This classifier extends (multiclass) logistic regression to non-linearly separable problems since it is capable of tessellating the feature space by using any given number of hyperplanes, creating a checkerboard-like pattern of decision regions.

Generative Adversarial Networks (GANs) are a popular formulation to train generative models for complex high dimensional data. The standard method for training GANs involves a gradient descent-ascent (GDA) procedure on a minimax optimization problem. This procedure is hard to analyze in general due to the nonlinear nature of the dynamics. We study the local dynamics of GDA for training a GAN with a kernel-based discriminator. This convergence analysis is based on a linearization of a non-linear dynamical system that describes the GDA iterations, under an isolated points model assumption from [Becker et al. 2022]. Our analysis brings out the effect of the learning rates, regularization, and the bandwidth of the kernel discriminator, on the local convergence rate of GDA. Importantly, we show phase transitions that indicate when the system converges, oscillates, or diverges. We also provide numerical simulations that verify our claims.

Deep neural networks (DNNs) are quantized for efficient inference on resource-constrained platforms. However, training deep learning models with low-precision weights and activations involves a demanding optimization task, which calls for minimizing a stage-wise loss function subject to a discrete set-constraint. While numerous training methods have been proposed, existing studies for full quantization of DNNs are mostly empirical. From a theoretical point of view, we study practical techniques for overcoming the combinatorial nature of network quantization. Specifically, we investigate a simple yet powerful projected gradient-like algorithm for quantizing two-linear-layer networks, which proceeds by repeatedly moving one step at float weights in the negation of a heuristic fake gradient of the loss function (so-called coarse gradient) evaluated at quantized weights. For the first time, we prove that under mild conditions, the sequence of quantized weights recurrently visits the global optimum of the discrete minimization problem for training fully quantized network. We also show numerical evidence of the recurrence phenomenon of weight evolution in training quantized deep networks.

This paper presents Post-Decision Proximal Policy Optimization (PDPPO), a novel variation of the leading deep reinforcement learning method, Proximal Policy Optimization (PPO). The PDPPO state transition process is divided into two steps: a deterministic step resulting in the post-decision state and a stochastic step leading to the next state. Our approach incorporates post-decision states and dual critics to reduce the problem's dimensionality and enhance the accuracy of value function estimation. Lot-sizing is a mixed integer programming problem for which we exemplify such dynamics. The objective of lot-sizing is to optimize production, delivery fulfillment, and inventory levels in uncertain demand and cost parameters. This paper evaluates the performance of PDPPO across various environments and configurations. Notably, PDPPO with a dual critic architecture achieves nearly double the maximum reward of vanilla PPO in specific scenarios, requiring fewer episode iterations and demonstrating faster and more consistent learning across different initializations. On average, PDPPO outperforms PPO in environments with a stochastic component in the state transition. These results support the benefits of using a post-decision state. Integrating this post-decision state in the value function approximation leads to more informed and efficient learning in high-dimensional and stochastic environments.

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.

Communication-reduction techniques are a popular way to improve scalability in data-parallel training of deep neural networks (DNNs). The recent emergence of large language models such as GPT has created the need for new approaches to exploit data-parallelism. Among these, fully-sharded data parallel (FSDP) training is highly popular, yet it still encounters scalability bottlenecks. One reason is that applying compression techniques to FSDP is challenging: as the vast majority of the communication involves the model's weights, direct compression alters convergence and leads to accuracy loss. We present QSDP, a variant of FSDP which supports both gradient and weight quantization with theoretical guarantees, is simple to implement and has essentially no overheads. To derive QSDP we prove that a natural modification of SGD achieves convergence even when we only maintain quantized weights, and thus the domain over which we train consists of quantized points and is, therefore, highly non-convex. We validate this approach by training GPT-family models with up to 1.3 billion parameters on a multi-node cluster. Experiments show that QSDP preserves model accuracy, while completely removing the communication bottlenecks of FSDP, providing end-to-end speedups of up to 2.2x.

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

We study gradient compression methods to alleviate the communication bottleneck in data-parallel distributed optimization. Despite the significant attention received, current compression schemes either do not scale well or fail to achieve the target test accuracy. We propose a new low-rank gradient compressor based on power iteration that can i) compress gradients rapidly, ii) efficiently aggregate the compressed gradients using all-reduce, and iii) achieve test performance on par with SGD. The proposed algorithm is the only method evaluated that achieves consistent wall-clock speedups when benchmarked against regular SGD with an optimized communication backend. We demonstrate reduced training times for convolutional networks as well as LSTMs on common datasets. Our code is available at https://github.com/epfml/powersgd.

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.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal learning rate in terms of the convergence rate while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. Further, we show that NAG- GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, Transformers in the frame of the GLUE benchmark and the recent Vision Transformers.

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.

Training generally capable agents that thoroughly explore their environment and learn new and diverse skills is a long-term goal of robot learning. Quality Diversity Reinforcement Learning (QD-RL) is an emerging research area that blends the best aspects of both fields -- Quality Diversity (QD) provides a principled form of exploration and produces collections of behaviorally diverse agents, while Reinforcement Learning (RL) provides a powerful performance improvement operator enabling generalization across tasks and dynamic environments. Existing QD-RL approaches have been constrained to sample efficient, deterministic off-policy RL algorithms and/or evolution strategies, and struggle with highly stochastic environments. In this work, we, for the first time, adapt on-policy RL, specifically Proximal Policy Optimization (PPO), to the Differentiable Quality Diversity (DQD) framework and propose additional improvements over prior work that enable efficient optimization and discovery of novel skills on challenging locomotion tasks. Our new algorithm, Proximal Policy Gradient Arborescence (PPGA), achieves state-of-the-art results, including a 4x improvement in best reward over baselines on the challenging humanoid domain.

Deep learning has aroused extensive attention due to its great empirical success. The efficiency of the block coordinate descent (BCD) methods has been recently demonstrated in deep neural network (DNN) training. However, theoretical studies on their convergence properties are limited due to the highly nonconvex nature of DNN training. In this paper, we aim at providing a general methodology for provable convergence guarantees for this type of methods. In particular, for most of the commonly used DNN training models involving both two- and three-splitting schemes, we establish the global convergence to a critical point at a rate of {cal O}(1/k), where k is the number of iterations. The results extend to general loss functions which have Lipschitz continuous gradients and deep residual networks (ResNets). Our key development adds several new elements to the Kurdyka-{\L}ojasiewicz inequality framework that enables us to carry out the global convergence analysis of BCD in the general scenario of deep learning.

In Reinforcement Learning (RL), regularization has emerged as a popular tool both in theory and practice, typically based either on an entropy bonus or a Kullback-Leibler divergence that constrains successive policies. In practice, these approaches have been shown to improve exploration, robustness and stability, giving rise to popular Deep RL algorithms such as SAC and TRPO. Policy Mirror Descent (PMD) is a theoretical framework that solves this general regularized policy optimization problem, however the closed-form solution involves the sum of all past Q-functions, which is intractable in practice. We propose and analyze PMD-like algorithms that only keep the last M Q-functions in memory, and show that for finite and large enough M, a convergent algorithm can be derived, introducing no error in the policy update, unlike prior deep RL PMD implementations. StaQ, the resulting algorithm, enjoys strong theoretical guarantees and is competitive with deep RL baselines, while exhibiting less performance oscillation, paving the way for fully stable deep RL algorithms and providing a testbed for experimentation with Policy Mirror Descent.

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average 1-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

Recently, a wide range of memory-efficient LLM training algorithms have gained substantial popularity. These methods leverage the low-rank structure of gradients to project optimizer states into a subspace using projection matrix found by singular value decomposition (SVD). However, convergence of these algorithms is highly dependent on the update rules of their projection matrix. In this work, we provide the first convergence guarantee for arbitrary update rules of projection matrix. This guarantee is generally applicable to optimizers that can be analyzed with Hamiltonian Descent, including most common ones, such as LION, Adam. Inspired by our theoretical understanding, we propose Online Subspace Descent, a new family of subspace descent optimizer without SVD. Instead of updating the projection matrix with eigenvectors, Online Subspace Descent updates the projection matrix with online PCA. Online Subspace Descent is flexible and introduces only minimum overhead to training. We show that for the task of pretraining LLaMA models ranging from 60M to 7B parameters on the C4 dataset, Online Subspace Descent achieves lower perplexity and better downstream tasks performance than state-of-the-art low-rank training methods across different settings and narrows the gap with full-rank baselines.

This paper rigorously shows how over-parameterization changes the convergence behaviors of gradient descent (GD) for the matrix sensing problem, where the goal is to recover an unknown low-rank ground-truth matrix from near-isotropic linear measurements. First, we consider the symmetric setting with the symmetric parameterization where M^* in R^{n times n} is a positive semi-definite unknown matrix of rank r ll n, and one uses a symmetric parameterization XX^top to learn M^*. Here X in R^{n times k} with k > r is the factor matrix. We give a novel Omega (1/T^2) lower bound of randomly initialized GD for the over-parameterized case (k >r) where T is the number of iterations. This is in stark contrast to the exact-parameterization scenario (k=r) where the convergence rate is exp (-Omega (T)). Next, we study asymmetric setting where M^* in R^{n_1 times n_2} is the unknown matrix of rank r ll min{n_1,n_2}, and one uses an asymmetric parameterization FG^top to learn M^* where F in R^{n_1 times k} and G in R^{n_2 times k}. Building on prior work, we give a global exact convergence result of randomly initialized GD for the exact-parameterization case (k=r) with an exp (-Omega(T)) rate. Furthermore, we give the first global exact convergence result for the over-parameterization case (k>r) with an exp(-Omega(alpha^2 T)) rate where alpha is the initialization scale. This linear convergence result in the over-parameterization case is especially significant because one can apply the asymmetric parameterization to the symmetric setting to speed up from Omega (1/T^2) to linear convergence. On the other hand, we propose a novel method that only modifies one step of GD and obtains a convergence rate independent of alpha, recovering the rate in the exact-parameterization case.

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.

In this paper, we study the implicit regularization of stochastic gradient descent (SGD) through the lens of {\em dynamical stability} (Wu et al., 2018). We start by revising existing stability analyses of SGD, showing how the Frobenius norm and trace of Hessian relate to different notions of stability. Notably, if a global minimum is linearly stable for SGD, then the trace of Hessian must be less than or equal to 2/eta, where eta denotes the learning rate. By contrast, for gradient descent (GD), the stability imposes a similar constraint but only on the largest eigenvalue of Hessian. We then turn to analyze the generalization properties of these stable minima, focusing specifically on two-layer ReLU networks and diagonal linear networks. Notably, we establish the {\em equivalence} between these metrics of sharpness and certain parameter norms for the two models, which allows us to show that the stable minima of SGD provably generalize well. By contrast, the stability-induced regularization of GD is provably too weak to ensure satisfactory generalization. This discrepancy provides an explanation of why SGD often generalizes better than GD. Note that the learning rate (LR) plays a pivotal role in the strength of stability-induced regularization. As the LR increases, the regularization effect becomes more pronounced, elucidating why SGD with a larger LR consistently demonstrates superior generalization capabilities. Additionally, numerical experiments are provided to support our theoretical findings.

We study the momentum-based minimization of a diffuse perimeter functional on Euclidean spaces and on graphs with applications to semi-supervised classification tasks in machine learning. While the gradient flow in the task at hand is a parabolic partial differential equation, the momentum-method corresponds to a damped hyperbolic PDE, leading to qualitatively and quantitatively different trajectories. Using a convex-concave splitting-based FISTA-type time discretization, we demonstrate empirically that momentum can lead to faster convergence if the time step size is large but not too large. With large time steps, the PDE analysis offers only limited insight into the geometric behavior of solutions and typical hyperbolic phenomena like loss of regularity are not be observed in sample simulations.

Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to 25times more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Recent methods such as Score Distillation Sampling (SDS) and Variational Score Distillation (VSD) using 2D diffusion models for text-to-3D generation have demonstrated impressive generation quality. However, the long generation time of such algorithms significantly degrades the user experience. To tackle this problem, we propose DreamPropeller, a drop-in acceleration algorithm that can be wrapped around any existing text-to-3D generation pipeline based on score distillation. Our framework generalizes Picard iterations, a classical algorithm for parallel sampling an ODE path, and can account for non-ODE paths such as momentum-based gradient updates and changes in dimensions during the optimization process as in many cases of 3D generation. We show that our algorithm trades parallel compute for wallclock time and empirically achieves up to 4.7x speedup with a negligible drop in generation quality for all tested frameworks.

Pose-Guided Person Image Synthesis (PGPIS) aims to synthesize high-quality person images corresponding to target poses while preserving the appearance of the source image. Recently, PGPIS methods that use diffusion models have achieved competitive performance. Most approaches involve extracting representations of the target pose and source image and learning their relationships in the generative model's training process. This approach makes it difficult to learn the semantic relationships between the input and target images and complicates the model structure needed to enhance generation results. To address these issues, we propose Fusion embedding for PGPIS using a Diffusion Model (FPDM). Inspired by the successful application of pre-trained CLIP models in text-to-image diffusion models, our method consists of two stages. The first stage involves training the fusion embedding of the source image and target pose to align with the target image's embedding. In the second stage, the generative model uses this fusion embedding as a condition to generate the target image. We applied the proposed method to the benchmark datasets DeepFashion and RWTH-PHOENIX-Weather 2014T, and conducted both quantitative and qualitative evaluations, demonstrating state-of-the-art (SOTA) performance. An ablation study of the model structure showed that even a model using only the second stage achieved performance close to the other PGPIS SOTA models. The code is available at https://github.com/dhlee-work/FPDM.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

When training neural networks, it has been widely observed that a large step size is essential in stochastic gradient descent (SGD) for obtaining superior models. However, the effect of large step sizes on the success of SGD is not well understood theoretically. Several previous works have attributed this success to the stochastic noise present in SGD. However, we show through a novel set of experiments that the stochastic noise is not sufficient to explain good non-convex training, and that instead the effect of a large learning rate itself is essential for obtaining best performance.We demonstrate the same effects also in the noise-less case, i.e. for full-batch GD. We formally prove that GD with large step size -- on certain non-convex function classes -- follows a different trajectory than GD with a small step size, which can lead to convergence to a global minimum instead of a local one. Our settings provide a framework for future analysis which allows comparing algorithms based on behaviors that can not be observed in the traditional settings.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

Differentially Private Stochastic Gradient Descent with gradient clipping (DPSGD-GC) is a powerful tool for training deep learning models using sensitive data, providing both a solid theoretical privacy guarantee and high efficiency. However, using DPSGD-GC to ensure Differential Privacy (DP) comes at the cost of model performance degradation due to DP noise injection and gradient clipping. Existing research has extensively analyzed the theoretical convergence of DPSGD-GC, and has shown that it only converges when using large clipping thresholds that are dependent on problem-specific parameters. Unfortunately, these parameters are often unknown in practice, making it hard to choose the optimal clipping threshold. Therefore, in practice, DPSGD-GC suffers from degraded performance due to the {\it constant} bias introduced by the clipping. In our work, we propose a new error-feedback (EF) DP algorithm as an alternative to DPSGD-GC, which not only offers a diminishing utility bound without inducing a constant clipping bias, but more importantly, it allows for an arbitrary choice of clipping threshold that is independent of the problem. We establish an algorithm-specific DP analysis for our proposed algorithm, providing privacy guarantees based on R{\'e}nyi DP. Additionally, we demonstrate that under mild conditions, our algorithm can achieve nearly the same utility bound as DPSGD without gradient clipping. Our empirical results on Cifar-10/100 and E2E datasets, show that the proposed algorithm achieves higher accuracies than DPSGD while maintaining the same level of DP guarantee.

Diffusion models are among the most effective methods for image generation. This is in particular because, unlike GANs, they can be easily conditioned during training to produce elements with desired class or properties. However, guiding a pre-trained diffusion model to generate elements from previously unlabeled data is significantly more challenging. One of the possible solutions was given by the ADM-G guiding approach. Although ADM-G successfully generates elements from the given class, there is a significant quality gap compared to a model originally conditioned on this class. In particular, the FID score obtained by the ADM-G-guided diffusion model is nearly three times lower than the class-conditioned guidance. We demonstrate that this issue is partly due to ADM-G providing minimal guidance during the final stage of the denoising process. To address this problem, we propose GeoGuide, a guidance model based on tracing the distance of the diffusion model's trajectory from the data manifold. The main idea of GeoGuide is to produce normalized adjustments during the backward denoising process. As shown in the experiments, GeoGuide surpasses the probabilistic approach ADM-G with respect to both the FID scores and the quality of the generated images.

Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by digital computers). Here we show that natural gradient descent (NGD), a second-order method, can have a similar computational complexity per iteration to a first-order method, when employing appropriate hardware. We present a new hybrid digital-analog algorithm for training neural networks that is equivalent to NGD in a certain parameter regime but avoids prohibitively costly linear system solves. Our algorithm exploits the thermodynamic properties of an analog system at equilibrium, and hence requires an analog thermodynamic computer. The training occurs in a hybrid digital-analog loop, where the gradient and Fisher information matrix (or any other positive semi-definite curvature matrix) are calculated at given time intervals while the analog dynamics take place. We numerically demonstrate the superiority of this approach over state-of-the-art digital first- and second-order training methods on classification tasks and language model fine-tuning tasks.

Bilevel optimization enjoys a wide range of applications in hyper-parameter optimization, meta-learning and reinforcement learning. However, bilevel optimization problems are difficult to solve. Recent progress on scalable bilevel algorithms mainly focuses on bilevel optimization problems where the lower-level objective is either strongly convex or unconstrained. In this work, we tackle the bilevel problem through the lens of the penalty method. We show that under certain conditions, the penalty reformulation recovers the solutions of the original bilevel problem. Further, we propose the penalty-based bilevel gradient descent (PBGD) algorithm and establish its finite-time convergence for the constrained bilevel problem without lower-level strong convexity. Experiments showcase the efficiency of the proposed PBGD algorithm.

Optimization with matrix gradient orthogonalization has recently demonstrated impressive results in the training of deep neural networks (Jordan et al., 2024; Liu et al., 2025). In this paper, we provide a theoretical analysis of this approach. In particular, we show that the orthogonalized gradient method can be seen as a first-order trust-region optimization method, where the trust-region is defined in terms of the matrix spectral norm. Motivated by this observation, we develop the stochastic non-Euclidean trust-region gradient method with momentum, which recovers the Muon optimizer (Jordan et al., 2024) as a special case, along with normalized SGD and signSGD with momentum (Cutkosky and Mehta, 2020; Sun et al., 2023). In addition, we prove state-of-the-art convergence results for the proposed algorithm in a range of scenarios, which involve arbitrary non-Euclidean norms, constrained and composite problems, and non-convex, star-convex, first- and second-order smooth functions. Finally, our theoretical findings provide an explanation for several practical observations, including the practical superiority of Muon compared to the Orthogonal-SGDM algorithm of Tuddenham et al. (2022) and the importance of weight decay in the training of large-scale language models.

As models for nature language processing (NLP), computer vision (CV) and recommendation systems (RS) require surging computation, a large number of GPUs/TPUs are paralleled as a large batch (LB) to improve training throughput. However, training such LB tasks often meets large generalization gap and downgrades final precision, which limits enlarging the batch size. In this work, we develop the variance reduced gradient descent technique (VRGD) based on the gradient signal to noise ratio (GSNR) and apply it onto popular optimizers such as SGD/Adam/LARS/LAMB. We carry out a theoretical analysis of convergence rate to explain its fast training dynamics, and a generalization analysis to demonstrate its smaller generalization gap on LB training. Comprehensive experiments demonstrate that VRGD can accelerate training (1sim 2 times), narrow generalization gap and improve final accuracy. We push the batch size limit of BERT pretraining up to 128k/64k and DLRM to 512k without noticeable accuracy loss. We improve ImageNet Top-1 accuracy at 96k by 0.52pp than LARS. The generalization gap of BERT and ImageNet training is significantly reduce by over 65%.

This is a handbook of simple proofs of the convergence of gradient and stochastic gradient descent type methods. We consider functions that are Lipschitz, smooth, convex, strongly convex, and/or Polyak-{\L}ojasiewicz functions. Our focus is on ``good proofs'' that are also simple. Each section can be consulted separately. We start with proofs of gradient descent, then on stochastic variants, including minibatching and momentum. Then move on to nonsmooth problems with the subgradient method, the proximal gradient descent and their stochastic variants. Our focus is on global convergence rates and complexity rates. Some slightly less common proofs found here include that of SGD (Stochastic gradient descent) with a proximal step, with momentum, and with mini-batching without replacement.

Several first order stochastic optimization methods commonly used in the Euclidean domain such as stochastic gradient descent (SGD), accelerated gradient descent or variance reduced methods have already been adapted to certain Riemannian settings. However, some of the most popular of these optimization tools - namely Adam , Adagrad and the more recent Amsgrad - remain to be generalized to Riemannian manifolds. We discuss the difficulty of generalizing such adaptive schemes to the most agnostic Riemannian setting, and then provide algorithms and convergence proofs for geodesically convex objectives in the particular case of a product of Riemannian manifolds, in which adaptivity is implemented across manifolds in the cartesian product. Our generalization is tight in the sense that choosing the Euclidean space as Riemannian manifold yields the same algorithms and regret bounds as those that were already known for the standard algorithms. Experimentally, we show faster convergence and to a lower train loss value for Riemannian adaptive methods over their corresponding baselines on the realistic task of embedding the WordNet taxonomy in the Poincare ball.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

Existing customization methods require access to multiple reference examples to align pre-trained diffusion probabilistic models (DPMs) with user-provided concepts. This paper aims to address the challenge of DPM customization when the only available supervision is a differentiable metric defined on the generated contents. Since the sampling procedure of DPMs involves recursive calls to the denoising UNet, na\"ive gradient backpropagation requires storing the intermediate states of all iterations, resulting in extremely high memory consumption. To overcome this issue, we propose a novel method AdjointDPM, which first generates new samples from diffusion models by solving the corresponding probability-flow ODEs. It then uses the adjoint sensitivity method to backpropagate the gradients of the loss to the models' parameters (including conditioning signals, network weights, and initial noises) by solving another augmented ODE. To reduce numerical errors in both the forward generation and gradient backpropagation processes, we further reparameterize the probability-flow ODE and augmented ODE as simple non-stiff ODEs using exponential integration. Finally, we demonstrate the effectiveness of AdjointDPM on three interesting tasks: converting visual effects into identification text embeddings, finetuning DPMs for specific types of stylization, and optimizing initial noise to generate adversarial samples for security auditing.

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic optimization perspective for both faster training and sampling. We first find that the diffusion process of DMs accords with the stochastic optimization process of stochastic gradient descent (SGD) on a stochastic time-variant problem. Then, inspired by momentum SGD that uses both gradient and an extra momentum to achieve faster and more stable convergence than SGD, we integrate momentum into the diffusion process of DMs. This comes with a unique challenge of deriving the noise perturbation kernel from the momentum-based diffusion process. To this end, we frame the process as a Damped Oscillation system whose critically damped state -- the kernel solution -- avoids oscillation and yields a faster convergence speed of the diffusion process. Empirical results show that our FDM can be applied to several popular DM frameworks, e.g., VP, VE, and EDM, and reduces their training cost by about 50% with comparable image synthesis performance on CIFAR-10, FFHQ, and AFHQv2 datasets. Moreover, FDM decreases their sampling steps by about 3x to achieve similar performance under the same samplers. The code is available at https://github.com/sail-sg/FDM.

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

We introduce Gradient Descent with Adaptive Momentum Scaling (Grams), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We establish a global convergence guarantee for Grams and validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficient optimization in large-scale machine learning.

With the success of Diffusion Models for image generation, the technologies also have revolutionized the aesthetic Quick Response (QR) code generation. Despite significant improvements in visual attractiveness for the beautified codes, their scannabilities are usually sacrificed and thus hinder their practical uses in real-world scenarios. To address this issue, we propose a novel training-free Diffusion-based QR Code generator (DiffQRCoder) to effectively craft both scannable and visually pleasing QR codes. The proposed approach introduces Scanning-Robust Perceptual Guidance (SRPG), a new diffusion guidance for Diffusion Models to guarantee the generated aesthetic codes to obey the ground-truth QR codes while maintaining their attractiveness during the denoising process. Additionally, we present another post-processing technique, Scanning Robust Manifold Projected Gradient Descent (SR-MPGD), to further enhance their scanning robustness through iterative latent space optimization. With extensive experiments, the results demonstrate that our approach not only outperforms other compared methods in Scanning Success Rate (SSR) with better or comparable CLIP aesthetic score (CLIP-aes.) but also significantly improves the SSR of the ControlNet-only approach from 60% to 99%. The subjective evaluation indicates that our approach achieves promising visual attractiveness to users as well. Finally, even with different scanning angles and the most rigorous error tolerance settings, our approach robustly achieves over 95% SSR, demonstrating its capability for real-world applications. Our project page is available at https://jwliao1209.github.io/DiffQRCoder.

The conjugate gradient method is a crucial first-order optimization method that generally converges faster than the steepest descent method, and its computational cost is much lower than that of second-order methods. However, while various types of conjugate gradient methods have been studied in Euclidean spaces and on Riemannian manifolds, there is little study for those in distributed scenarios. This paper proposes a decentralized Riemannian conjugate gradient descent (DRCGD) method that aims at minimizing a global function over the Stiefel manifold. The optimization problem is distributed among a network of agents, where each agent is associated with a local function, and the communication between agents occurs over an undirected connected graph. Since the Stiefel manifold is a non-convex set, a global function is represented as a finite sum of possibly non-convex (but smooth) local functions. The proposed method is free from expensive Riemannian geometric operations such as retractions, exponential maps, and vector transports, thereby reducing the computational complexity required by each agent. To the best of our knowledge, DRCGD is the first decentralized Riemannian conjugate gradient algorithm to achieve global convergence over the Stiefel manifold.

Classifier-free guidance (CFG) is crucial for improving both generation quality and alignment between the input condition and final output in diffusion models. While a high guidance scale is generally required to enhance these aspects, it also causes oversaturation and unrealistic artifacts. In this paper, we revisit the CFG update rule and introduce modifications to address this issue. We first decompose the update term in CFG into parallel and orthogonal components with respect to the conditional model prediction and observe that the parallel component primarily causes oversaturation, while the orthogonal component enhances image quality. Accordingly, we propose down-weighting the parallel component to achieve high-quality generations without oversaturation. Additionally, we draw a connection between CFG and gradient ascent and introduce a new rescaling and momentum method for the CFG update rule based on this insight. Our approach, termed adaptive projected guidance (APG), retains the quality-boosting advantages of CFG while enabling the use of higher guidance scales without oversaturation. APG is easy to implement and introduces practically no additional computational overhead to the sampling process. Through extensive experiments, we demonstrate that APG is compatible with various conditional diffusion models and samplers, leading to improved FID, recall, and saturation scores while maintaining precision comparable to CFG, making our method a superior plug-and-play alternative to standard classifier-free guidance.

We develop a novel theoretical framework for understating OT schemes respecting a class structure. For this purpose, we propose a convex OT program with a sum-of-norms regularization term, which provably recovers the underlying class structure under geometric assumptions. Furthermore, we derive an accelerated proximal algorithm with a closed-form projection and proximal operator scheme, thereby affording a more scalable algorithm for computing optimal transport plans. We provide a novel argument for the uniqueness of the optimum even in the absence of strong convexity. Our experiments show that the new regularizer not only results in a better preservation of the class structure in the data but also yields additional robustness to the data geometry, compared to previous regularizers.

This paper introduces PG-Rainbow, a novel algorithm that incorporates a distributional reinforcement learning framework with a policy gradient algorithm. Existing policy gradient methods are sample inefficient and rely on the mean of returns when calculating the state-action value function, neglecting the distributional nature of returns in reinforcement learning tasks. To address this issue, we use an Implicit Quantile Network that provides the quantile information of the distribution of rewards to the critic network of the Proximal Policy Optimization algorithm. We show empirical results that through the integration of reward distribution information into the policy network, the policy agent acquires enhanced capabilities to comprehensively evaluate the consequences of potential actions in a given state, facilitating more sophisticated and informed decision-making processes. We evaluate the performance of the proposed algorithm in the Atari-2600 game suite, simulated via the Arcade Learning Environment (ALE).

Training neural networks requires optimizing a loss function that may be highly irregular, and in particular neither convex nor smooth. Popular training algorithms are based on stochastic gradient descent with momentum (SGDM), for which classical analysis applies only if the loss is either convex or smooth. We show that a very small modification to SGDM closes this gap: simply scale the update at each time point by an exponentially distributed random scalar. The resulting algorithm achieves optimal convergence guarantees. Intriguingly, this result is not derived by a specific analysis of SGDM: instead, it falls naturally out of a more general framework for converting online convex optimization algorithms to non-convex optimization algorithms.

In this study, we propose Shortcut Fine-Tuning (SFT), a new approach for addressing the challenge of fast sampling of pretrained Denoising Diffusion Probabilistic Models (DDPMs). SFT advocates for the fine-tuning of DDPM samplers through the direct minimization of Integral Probability Metrics (IPM), instead of learning the backward diffusion process. This enables samplers to discover an alternative and more efficient sampling shortcut, deviating from the backward diffusion process. Inspired by a control perspective, we propose a new algorithm SFT-PG: Shortcut Fine-Tuning with Policy Gradient, and prove that under certain assumptions, gradient descent of diffusion models with respect to IPM is equivalent to performing policy gradient. To our best knowledge, this is the first attempt to utilize reinforcement learning (RL) methods to train diffusion models. Through empirical evaluation, we demonstrate that our fine-tuning method can further enhance existing fast DDPM samplers, resulting in sample quality comparable to or even surpassing that of the full-step model across various datasets.

Aligning language models with preferences can be posed as approximating a target distribution representing some desired behavior. Existing approaches differ both in the functional form of the target distribution and the algorithm used to approximate it. For instance, Reinforcement Learning from Human Feedback (RLHF) corresponds to minimizing a reverse KL from an implicit target distribution arising from a KL penalty in the objective. On the other hand, Generative Distributional Control (GDC) has an explicit target distribution and minimizes a forward KL from it using the Distributional Policy Gradient (DPG) algorithm. In this paper, we propose a new approach, f-DPG, which allows the use of any f-divergence to approximate any target distribution that can be evaluated. f-DPG unifies both frameworks (RLHF, GDC) and the approximation methods (DPG, RL with KL penalties). We show the practical benefits of various choices of divergence objectives and demonstrate that there is no universally optimal objective but that different divergences present different alignment and diversity trade-offs. We show that Jensen-Shannon divergence strikes a good balance between these objectives, and frequently outperforms forward KL divergence by a wide margin, leading to significant improvements over prior work. These distinguishing characteristics between divergences persist as the model size increases, highlighting the importance of selecting appropriate divergence objectives.

The numerical solution of partial differential equations (PDEs) is difficult, having led to a century of research so far. Recently, there have been pushes to build neural--numerical hybrid solvers, which piggy-backs the modern trend towards fully end-to-end learned systems. Most works so far can only generalize over a subset of properties to which a generic solver would be faced, including: resolution, topology, geometry, boundary conditions, domain discretization regularity, dimensionality, etc. In this work, we build a solver, satisfying these properties, where all the components are based on neural message passing, replacing all heuristically designed components in the computation graph with backprop-optimized neural function approximators. We show that neural message passing solvers representationally contain some classical methods, such as finite differences, finite volumes, and WENO schemes. In order to encourage stability in training autoregressive models, we put forward a method that is based on the principle of zero-stability, posing stability as a domain adaptation problem. We validate our method on various fluid-like flow problems, demonstrating fast, stable, and accurate performance across different domain topologies, equation parameters, discretizations, etc., in 1D and 2D.

We introduce Functional Diffusion Processes (FDPs), which generalize score-based diffusion models to infinite-dimensional function spaces. FDPs require a new mathematical framework to describe the forward and backward dynamics, and several extensions to derive practical training objectives. These include infinite-dimensional versions of Girsanov theorem, in order to be able to compute an ELBO, and of the sampling theorem, in order to guarantee that functional evaluations in a countable set of points are equivalent to infinite-dimensional functions. We use FDPs to build a new breed of generative models in function spaces, which do not require specialized network architectures, and that can work with any kind of continuous data. Our results on real data show that FDPs achieve high-quality image generation, using a simple MLP architecture with orders of magnitude fewer parameters than existing diffusion models.

Adversarial robustness is essential for security and reliability of machine learning systems. However, adversarial robustness enhanced by defense algorithms is easily erased as the neural network's weights update to learn new tasks. To address this vulnerability, it is essential to improve the capability of neural networks in terms of robust continual learning. Specially, we propose a novel gradient projection technique that effectively stabilizes sample gradients from previous data by orthogonally projecting back-propagation gradients onto a crucial subspace before using them for weight updates. This technique can maintaining robustness by collaborating with a class of defense algorithms through sample gradient smoothing. The experimental results on four benchmarks including Split-CIFAR100 and Split-miniImageNet, demonstrate that the superiority of the proposed approach in mitigating rapidly degradation of robustness during continual learning even when facing strong adversarial attacks.

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach extends to parametric PDEs. Specifically, we integrate the physical loss gradient with PDE parameters, allowing our method to solve over a distribution of PDE parameters, including coefficients, initial conditions, and boundary conditions. We demonstrate the effectiveness of our approach through empirical experiments on multiple datasets, comparing both training and test-time optimization performance. The code is available at https://github.com/2ailesB/neural-parametric-solver.

We propose a tuning-free dynamic SGD step size formula, which we call Distance over Gradients (DoG). The DoG step sizes depend on simple empirical quantities (distance from the initial point and norms of gradients) and have no ``learning rate'' parameter. Theoretically, we show that a slight variation of the DoG formula enjoys strong parameter-free convergence guarantees for stochastic convex optimization assuming only locally bounded stochastic gradients. Empirically, we consider a broad range of vision and language transfer learning tasks, and show that DoG's performance is close to that of SGD with tuned learning rate. We also propose a per-layer variant of DoG that generally outperforms tuned SGD, approaching the performance of tuned Adam. A PyTorch implementation is available at https://github.com/formll/dog

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for the ability of these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, and neural network theory, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new algorithm, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep neural network training, and provide preliminary numerical evidence for its superior performance.

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.

Reinforcement Learning (RL) can directly enhance the reasoning capabilities of large language models without extensive reliance on Supervised Fine-Tuning (SFT). In this work, we revisit the traditional Policy Gradient (PG) mechanism and propose a minimalist RL approach termed Group Policy Gradient (GPG). Unlike conventional methods, GPG directly optimize the original RL objective, thus obviating the need for surrogate loss functions. As illustrated in our paper, by eliminating both the critic and reference models, and avoiding KL divergence constraints, our approach significantly simplifies the training process when compared to Group Relative Policy Optimization (GRPO). Our approach achieves superior performance without relying on auxiliary techniques or adjustments. Extensive experiments demonstrate that our method not only reduces computational costs but also consistently outperforms GRPO across various unimodal and multimodal tasks. Our code is available at https://github.com/AMAP-ML/GPG.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.

The controllable generation of diffusion models aims to steer the model to generate samples that optimize some given objective functions. It is desirable for a variety of applications including image generation, molecule generation, and DNA/sequence generation. Reinforcement Learning (RL) based fine-tuning of the base model is a popular approach but it can overfit the reward function while requiring significant resources. We frame controllable generation as a problem of finding a distribution that optimizes a KL-regularized objective function. We present SLCD -- Supervised Learning based Controllable Diffusion, which iteratively generates online data and trains a small classifier to guide the generation of the diffusion model. Similar to the standard classifier-guided diffusion, SLCD's key computation primitive is classification and does not involve any complex concepts from RL or control. Via a reduction to no-regret online learning analysis, we show that under KL divergence, the output from SLCD provably converges to the optimal solution of the KL-regularized objective. Further, we empirically demonstrate that SLCD can generate high quality samples with nearly the same inference time as the base model in both image generation with continuous diffusion and biological sequence generation with discrete diffusion. Our code is available at https://github.com/Owen-Oertell/slcd

Classical convergence guarantees for gradient-based learning in games require the pseudo-gradient to be (strongly) monotone in Euclidean geometry as shown by rosen(1965), a condition that often fails even in simple games with strong cross-player couplings. We introduce Small-Gain Nash (SGN), a block small-gain condition in a custom block-weighted geometry. SGN converts local curvature and cross-player Lipschitz coupling bounds into a tractable certificate of contraction. It constructs a weighted block metric in which the pseudo-gradient becomes strongly monotone on any region where these bounds hold, even when it is non-monotone in the Euclidean sense. The continuous flow is exponentially contracting in this designed geometry, and projected Euler and RK4 discretizations converge under explicit step-size bounds derived from the SGN margin and a local Lipschitz constant. Our analysis reveals a certified ``timescale band'', a non-asymptotic, metric-based certificate that plays a TTUR-like role: rather than forcing asymptotic timescale separation via vanishing, unequal step sizes, SGN identifies a finite band of relative metric weights for which a single-step-size dynamics is provably contractive. We validate the framework on quadratic games where Euclidean monotonicity analysis fails to predict convergence, but SGN successfully certifies it, and extend the construction to mirror/Fisher geometries for entropy-regularized policy gradient in Markov games. The result is an offline certification pipeline that estimates curvature, coupling, and Lipschitz parameters on compact regions, optimizes block weights to enlarge the SGN margin, and returns a structural, computable convergence certificate consisting of a metric, contraction rate, and safe step-sizes for non-monotone games.

Diffusion models have demonstrated remarkable generation quality but at the cost of numerous function evaluations. Recently, advanced ODE-based solvers have been developed to mitigate the substantial computational demands of reverse-diffusion solving under limited sampling steps. However, these solvers, heavily inspired by Adams-like multistep methods, rely solely on t-related Lagrange interpolation. We show that t-related Lagrange interpolation is suboptimal for diffusion model and reveal a compact search space comprised of time steps and solver coefficients. Building on our analysis, we propose a novel differentiable solver search algorithm to identify more optimal solver. Equipped with the searched solver, rectified-flow models, e.g., SiT-XL/2 and FlowDCN-XL/2, achieve FID scores of 2.40 and 2.35, respectively, on ImageNet256 with only 10 steps. Meanwhile, DDPM model, DiT-XL/2, reaches a FID score of 2.33 with only 10 steps. Notably, our searched solver outperforms traditional solvers by a significant margin. Moreover, our searched solver demonstrates generality across various model architectures, resolutions, and model sizes.

While likelihood-based generative models, particularly diffusion and autoregressive models, have achieved remarkable fidelity in visual generation, the maximum likelihood estimation (MLE) objective inherently suffers from a mode-covering tendency that limits the generation quality under limited model capacity. In this work, we propose Direct Discriminative Optimization (DDO) as a unified framework that bridges likelihood-based generative training and the GAN objective to bypass this fundamental constraint. Our key insight is to parameterize a discriminator implicitly using the likelihood ratio between a learnable target model and a fixed reference model, drawing parallels with the philosophy of Direct Preference Optimization (DPO). Unlike GANs, this parameterization eliminates the need for joint training of generator and discriminator networks, allowing for direct, efficient, and effective finetuning of a well-trained model to its full potential beyond the limits of MLE. DDO can be performed iteratively in a self-play manner for progressive model refinement, with each round requiring less than 1% of pretraining epochs. Our experiments demonstrate the effectiveness of DDO by significantly advancing the previous SOTA diffusion model EDM, reducing FID scores from 1.79/1.58 to new records of 1.30/0.97 on CIFAR-10/ImageNet-64 datasets, and by consistently improving both guidance-free and CFG-enhanced FIDs of visual autoregressive models on ImageNet 256times256.

Mirror descent (MD), a well-known first-order method in constrained convex optimization, has recently been shown as an important tool to analyze trust-region algorithms in reinforcement learning (RL). However, there remains a considerable gap between such theoretically analyzed algorithms and the ones used in practice. Inspired by this, we propose an efficient RL algorithm, called {\em mirror descent policy optimization} (MDPO). MDPO iteratively updates the policy by {\em approximately} solving a trust-region problem, whose objective function consists of two terms: a linearization of the standard RL objective and a proximity term that restricts two consecutive policies to be close to each other. Each update performs this approximation by taking multiple gradient steps on this objective function. We derive {\em on-policy} and {\em off-policy} variants of MDPO, while emphasizing important design choices motivated by the existing theory of MD in RL. We highlight the connections between on-policy MDPO and two popular trust-region RL algorithms: TRPO and PPO, and show that explicitly enforcing the trust-region constraint is in fact {\em not} a necessity for high performance gains in TRPO. We then show how the popular soft actor-critic (SAC) algorithm can be derived by slight modifications of off-policy MDPO. Overall, MDPO is derived from the MD principles, offers a unified approach to viewing a number of popular RL algorithms, and performs better than or on-par with TRPO, PPO, and SAC in a number of continuous control tasks. Code is available at https://github.com/manantomar/Mirror-Descent-Policy-Optimization.

Diffusion models are promising for joint trajectory prediction and controllable generation in autonomous driving, but they face challenges of inefficient inference steps and high computational demands. To tackle these challenges, we introduce Optimal Gaussian Diffusion (OGD) and Estimated Clean Manifold (ECM) Guidance. OGD optimizes the prior distribution for a small diffusion time T and starts the reverse diffusion process from it. ECM directly injects guidance gradients to the estimated clean manifold, eliminating extensive gradient backpropagation throughout the network. Our methodology streamlines the generative process, enabling practical applications with reduced computational overhead. Experimental validation on the large-scale Argoverse 2 dataset demonstrates our approach's superior performance, offering a viable solution for computationally efficient, high-quality joint trajectory prediction and controllable generation for autonomous driving. Our project webpage is at https://yixiaowang7.github.io/OptTrajDiff_Page/.

It is highly desirable to obtain a model that can generate high-quality 3D meshes from text prompts in just seconds. While recent attempts have adapted pre-trained text-to-image diffusion models, such as Stable Diffusion (SD), into generators of 3D representations (e.g., Triplane), they often suffer from poor quality due to the lack of sufficient high-quality 3D training data. Aiming at overcoming the data shortage, we propose a novel training scheme, termed as Progressive Rendering Distillation (PRD), eliminating the need for 3D ground-truths by distilling multi-view diffusion models and adapting SD into a native 3D generator. In each iteration of training, PRD uses the U-Net to progressively denoise the latent from random noise for a few steps, and in each step it decodes the denoised latent into 3D output. Multi-view diffusion models, including MVDream and RichDreamer, are used in joint with SD to distill text-consistent textures and geometries into the 3D outputs through score distillation. Since PRD supports training without 3D ground-truths, we can easily scale up the training data and improve generation quality for challenging text prompts with creative concepts. Meanwhile, PRD can accelerate the inference speed of the generation model in just a few steps. With PRD, we train a Triplane generator, namely TriplaneTurbo, which adds only 2.5% trainable parameters to adapt SD for Triplane generation. TriplaneTurbo outperforms previous text-to-3D generators in both efficiency and quality. Specifically, it can produce high-quality 3D meshes in 1.2 seconds and generalize well for challenging text input. The code is available at https://github.com/theEricMa/TriplaneTurbo.

Tool-integrated (TI) reinforcement learning (RL) enables large language models (LLMs) to perform multi-step reasoning by interacting with external tools such as search engines and retrievers. Group Relative Policy Optimization (GRPO), exemplified by the recent Search-R1, offers fast convergence and a value-free formulation that makes it appealing for this setting, yet consistently suffers from training collapse. We identify Lazy Likelihood Displacement (LLD), a systematic reduction or stagnation in the likelihood of both correct and incorrect responses, as the core mechanism driving this failure. LLD emerges early and triggers a self-reinforcing LLD Death Spiral, where declining likelihood leads to low-confidence responses, inflating gradients, and ultimately causing collapse. We empirically characterize this process across models on a Search-R1-style, search-integrated question answering task, revealing a consistent three-phase trajectory: early stagnation, steady decay, and accelerated collapse. To address this, we propose a lightweight likelihood-preserving regularization LLDS for GRPO that activates only when a trajectory's likelihood decreases, and regularizes only the tokens responsible. This fine-grained structure mitigates LLD with minimal interference to optimization. Across seven open-domain and multi-hop QA benchmarks, our method stabilizes training, prevents gradient explosion, and yields substantial performance improvements, including +37.8% gains on Qwen2.5-3B and +32.0% gains on Qwen2.5-7B. Our results establish LLD as a fundamental bottleneck in GRPO-based TIRL and provide a practical path toward stable, scalable training of tool-integrated LLM.

Generalizable depth completion enables the acquisition of dense metric depth maps for unseen environments, offering robust perception capabilities for various downstream tasks. However, training such models typically requires large-scale datasets with metric depth labels, which are often labor-intensive to collect. This paper presents PacGDC, a label-efficient technique that enhances data diversity with minimal annotation effort for generalizable depth completion. PacGDC builds on novel insights into inherent ambiguities and consistencies in object shapes and positions during 2D-to-3D projection, allowing the synthesis of numerous pseudo geometries for the same visual scene. This process greatly broadens available geometries by manipulating scene scales of the corresponding depth maps. To leverage this property, we propose a new data synthesis pipeline that uses multiple depth foundation models as scale manipulators. These models robustly provide pseudo depth labels with varied scene scales, affecting both local objects and global layouts, while ensuring projection consistency that supports generalization. To further diversify geometries, we incorporate interpolation and relocation strategies, as well as unlabeled images, extending the data coverage beyond the individual use of foundation models. Extensive experiments show that PacGDC achieves remarkable generalizability across multiple benchmarks, excelling in diverse scene semantics/scales and depth sparsity/patterns under both zero-shot and few-shot settings. Code: https://github.com/Wang-xjtu/PacGDC.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

Large language model (LLM) training and finetuning are often bottlenecked by limited GPU memory. While existing projection-based optimization methods address this by projecting gradients into a lower-dimensional subspace to reduce optimizer state memory, they typically rely on dense projection matrices, which can introduce computational and memory overheads. In this work, we propose Grass (GRAdient Stuctured Sparsification), a novel approach that leverages sparse projections to transform gradients into structured sparse updates. This design not only significantly reduces memory usage for optimizer states but also minimizes gradient memory footprint, computation, and communication costs, leading to substantial throughput improvements. Extensive experiments on pretraining and finetuning tasks demonstrate that Grass achieves competitive performance to full-rank training and existing projection-based methods. Notably, Grass enables half-precision pretraining of a 13B parameter LLaMA model on a single 40GB A100 GPU--a feat infeasible for previous methods--and yields up to a 2times throughput improvement on an 8-GPU system. Code can be found at https://github.com/aashiqmuhamed/GRASS .

Stochastic Gradient Decent (SGD) is one of the core techniques behind the success of deep neural networks. The gradient provides information on the direction in which a function has the steepest rate of change. The main problem with basic SGD is to change by equal sized steps for all parameters, irrespective of gradient behavior. Hence, an efficient way of deep network optimization is to make adaptive step sizes for each parameter. Recently, several attempts have been made to improve gradient descent methods such as AdaGrad, AdaDelta, RMSProp and Adam. These methods rely on the square roots of exponential moving averages of squared past gradients. Thus, these methods do not take advantage of local change in gradients. In this paper, a novel optimizer is proposed based on the difference between the present and the immediate past gradient (i.e., diffGrad). In the proposed diffGrad optimization technique, the step size is adjusted for each parameter in such a way that it should have a larger step size for faster gradient changing parameters and a lower step size for lower gradient changing parameters. The convergence analysis is done using the regret bound approach of online learning framework. Rigorous analysis is made in this paper over three synthetic complex non-convex functions. The image categorization experiments are also conducted over the CIFAR10 and CIFAR100 datasets to observe the performance of diffGrad with respect to the state-of-the-art optimizers such as SGDM, AdaGrad, AdaDelta, RMSProp, AMSGrad, and Adam. The residual unit (ResNet) based Convolutional Neural Networks (CNN) architecture is used in the experiments. The experiments show that diffGrad outperforms other optimizers. Also, we show that diffGrad performs uniformly well for training CNN using different activation functions. The source code is made publicly available at https://github.com/shivram1987/diffGrad.

Score-based Generative Models (SGMs) have achieved state-of-the-art synthesis results on diverse tasks. However, the current design space of the forward diffusion process is largely unexplored and often relies on physical intuition or simplifying assumptions. Leveraging results from the design of scalable Bayesian posterior samplers, we present a complete recipe for constructing forward processes in SGMs, all of which are guaranteed to converge to the target distribution of interest. We show that several existing SGMs can be cast as specific instantiations of this parameterization. Furthermore, building on this recipe, we construct a novel SGM: Phase Space Langevin Diffusion (PSLD), which performs score-based modeling in a space augmented with auxiliary variables akin to a physical phase space. We show that PSLD outperforms competing baselines in terms of sample quality and the speed-vs-quality tradeoff across different samplers on various standard image synthesis benchmarks. Moreover, we show that PSLD achieves sample quality comparable to state-of-the-art SGMs (FID: 2.10 on unconditional CIFAR-10 generation), providing an attractive alternative as an SGM backbone for further development. We will publish our code and model checkpoints for reproducibility at https://github.com/mandt-lab/PSLD.

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.

Due to the recurrent structure of RNN, the long information propagation path poses limitations in capturing long-term dependencies, gradient explosion/vanishing issues, and inefficient sequential execution. Based on this, we propose a novel paradigm called Parallel Gated Network (PGN) as the new successor to RNN. PGN directly captures information from previous time steps through the designed Historical Information Extraction (HIE) layer and leverages gated mechanisms to select and fuse it with the current time step information. This reduces the information propagation path to O(1), effectively addressing the limitations of RNN. To enhance PGN's performance in long-range time series forecasting tasks, we propose a novel temporal modeling framework called Temporal PGN (TPGN). TPGN incorporates two branches to comprehensively capture the semantic information of time series. One branch utilizes PGN to capture long-term periodic patterns while preserving their local characteristics. The other branch employs patches to capture short-term information and aggregate the global representation of the series. TPGN achieves a theoretical complexity of O(L), ensuring efficiency in its operations. Experimental results on five benchmark datasets demonstrate the state-of-the-art (SOTA) performance and high efficiency of TPGN, further confirming the effectiveness of PGN as the new successor to RNN in long-range time series forecasting. The code is available in this repository: https://github.com/Water2sea/TPGN.

Supervised dictionary learning (SDL) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. The goal of SDL is to learn a class-discriminative dictionary, which is a set of latent feature vectors that can well-explain both the features as well as labels of observed data. In this paper, we provide a systematic study of SDL, including the theory, algorithm, and applications of SDL. First, we provide a novel framework that `lifts' SDL as a convex problem in a combined factor space and propose a low-rank projected gradient descent algorithm that converges exponentially to the global minimizer of the objective. We also formulate generative models of SDL and provide global estimation guarantees of the true parameters depending on the hyperparameter regime. Second, viewed as a nonconvex constrained optimization problem, we provided an efficient block coordinate descent algorithm for SDL that is guaranteed to find an varepsilon-stationary point of the objective in O(varepsilon^{-1}(log varepsilon^{-1})^{2}) iterations. For the corresponding generative model, we establish a novel non-asymptotic local consistency result for constrained and regularized maximum likelihood estimation problems, which may be of independent interest. Third, we apply SDL for imbalanced document classification by supervised topic modeling and also for pneumonia detection from chest X-ray images. We also provide simulation studies to demonstrate that SDL becomes more effective when there is a discrepancy between the best reconstructive and the best discriminative dictionaries.

Predictive Coding (PC) is a theoretical framework in cognitive science suggesting that the human brain processes cognition through spatiotemporal prediction of the visual world. Existing studies have developed spatiotemporal prediction neural networks based on the PC theory, emulating its two core mechanisms: Correcting predictions from residuals and hierarchical learning. However, these models do not show the enhancement of prediction skills on real-world forecasting tasks and ignore the Precision Weighting mechanism of PC theory. The precision weighting mechanism posits that the brain allocates more attention to signals with lower precision, contributing to the cognitive ability of human brains. This work introduces the Cognitive Diffusion Probabilistic Models (CogDPM), which demonstrate the connection between diffusion probabilistic models and PC theory. CogDPM features a precision estimation method based on the hierarchical sampling capabilities of diffusion models and weight the guidance with precision weights estimated by the inherent property of diffusion models. We experimentally show that the precision weights effectively estimate the data predictability. We apply CogDPM to real-world prediction tasks using the United Kindom precipitation and ERA surface wind datasets. Our results demonstrate that CogDPM outperforms both existing domain-specific operational models and general deep prediction models by providing more proficient forecasting.

This work introduces DADAO: the first decentralized, accelerated, asynchronous, primal, first-order algorithm to minimize a sum of L-smooth and mu-strongly convex functions distributed over a given network of size n. Our key insight is based on modeling the local gradient updates and gossip communication procedures with separate independent Poisson Point Processes. This allows us to decouple the computation and communication steps, which can be run in parallel, while making the whole approach completely asynchronous, leading to communication acceleration compared to synchronous approaches. Our new method employs primal gradients and does not use a multi-consensus inner loop nor other ad-hoc mechanisms such as Error Feedback, Gradient Tracking, or a Proximal operator. By relating the inverse of the smallest positive eigenvalue of the Laplacian matrix chi_1 and the maximal resistance chi_2leq chi_1 of the graph to a sufficient minimal communication rate between the nodes of the network, we show that our algorithm requires O(nfrac{L{mu}}log(1{epsilon})) local gradients and only O(nchi_1chi_2frac{L{mu}}log(1{epsilon})) communications to reach a precision epsilon, up to logarithmic terms. Thus, we simultaneously obtain an accelerated rate for both computations and communications, leading to an improvement over state-of-the-art works, our simulations further validating the strength of our relatively unconstrained method. We also propose a SDP relaxation to find the optimal gossip rate of each edge minimizing the total number of communications for a given graph, resulting in faster convergence compared to standard approaches relying on uniform communication weights. Our source code is released on a public repository.

We propose a gradient flow procedure for generative modeling by transporting particles from an initial source distribution to a target distribution, where the gradient field on the particles is given by a noise-adaptive Wasserstein Gradient of the Maximum Mean Discrepancy (MMD). The noise-adaptive MMD is trained on data distributions corrupted by increasing levels of noise, obtained via a forward diffusion process, as commonly used in denoising diffusion probabilistic models. The result is a generalization of MMD Gradient Flow, which we call Diffusion-MMD-Gradient Flow or DMMD. The divergence training procedure is related to discriminator training in Generative Adversarial Networks (GAN), but does not require adversarial training. We obtain competitive empirical performance in unconditional image generation on CIFAR10, MNIST, CELEB-A (64 x64) and LSUN Church (64 x 64). Furthermore, we demonstrate the validity of the approach when MMD is replaced by a lower bound on the KL divergence.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) with one model. We first propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder which can also be decoded, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Then we formulate prediction tasks including regression and classification as (conditional) generation, which enables our LGD to solve tasks of all levels and all types with provable guarantees. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across generation and regression tasks.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

We showcase important features of the dynamics of the Stochastic Gradient Descent (SGD) in the training of neural networks. We present empirical observations that commonly used large step sizes (i) lead the iterates to jump from one side of a valley to the other causing loss stabilization, and (ii) this stabilization induces a hidden stochastic dynamics orthogonal to the bouncing directions that biases it implicitly toward sparse predictors. Furthermore, we show empirically that the longer large step sizes keep SGD high in the loss landscape valleys, the better the implicit regularization can operate and find sparse representations. Notably, no explicit regularization is used so that the regularization effect comes solely from the SGD training dynamics influenced by the step size schedule. Therefore, these observations unveil how, through the step size schedules, both gradient and noise drive together the SGD dynamics through the loss landscape of neural networks. We justify these findings theoretically through the study of simple neural network models as well as qualitative arguments inspired from stochastic processes. Finally, this analysis allows us to shed a new light on some common practice and observed phenomena when training neural networks. The code of our experiments is available at https://github.com/tml-epfl/sgd-sparse-features.

Diffusion models achieve strong generative performance but often rely on large datasets that may include sensitive content. This challenge is compounded by the models' tendency to memorize training data, raising privacy concerns. SFBD (Lu et al., 2025) addresses this by training on corrupted data and using limited clean samples to capture local structure and improve convergence. However, its iterative denoising and fine-tuning loop requires manual coordination, making it burdensome to implement. We reinterpret SFBD as an alternating projection algorithm and introduce a continuous variant, SFBD flow, that removes the need for alternating steps. We further show its connection to consistency constraint-based methods, and demonstrate that its practical instantiation, Online SFBD, consistently outperforms strong baselines across benchmarks.

Multi-agent pathfinding (MAPF) is a common abstraction of multi-robot trajectory planning problems, where multiple homogeneous robots simultaneously move in the shared environment. While solving MAPF optimally has been proven to be NP-hard, scalable, and efficient, solvers are vital for real-world applications like logistics, search-and-rescue, etc. To this end, decentralized suboptimal MAPF solvers that leverage machine learning have come on stage. Building on the success of the recently introduced MAPF-GPT, a pure imitation learning solver, we introduce MAPF-GPT-DDG. This novel approach effectively fine-tunes the pre-trained MAPF model using centralized expert data. Leveraging a novel delta-data generation mechanism, MAPF-GPT-DDG accelerates training while significantly improving performance at test time. Our experiments demonstrate that MAPF-GPT-DDG surpasses all existing learning-based MAPF solvers, including the original MAPF-GPT, regarding solution quality across many testing scenarios. Remarkably, it can work with MAPF instances involving up to 1 million agents in a single environment, setting a new milestone for scalability in MAPF domains.

We study the problem of posterior sampling in discrete-state spaces using discrete diffusion models. While posterior sampling methods for continuous diffusion models have achieved remarkable progress, analogous methods for discrete diffusion models remain challenging. In this work, we introduce a principled plug-and-play discrete diffusion posterior sampling algorithm based on split Gibbs sampling, which we call SG-DPS. Our algorithm enables reward-guided generation and solving inverse problems in discrete-state spaces. We demonstrate that SG-DPS converges to the true posterior distribution on synthetic benchmarks, and enjoys state-of-the-art posterior sampling performance on a range of benchmarks for discrete data, achieving up to 2x improved performance compared to existing baselines.

Supervised fine-tuning (SFT) of foundation models often leads to poor generalization, where prior capabilities deteriorate after tuning on new tasks or domains. Inspired by trust-region policy optimization (TRPO) and proximal policy optimization (PPO) in reinforcement learning (RL), we propose Proximal SFT (PSFT). This fine-tuning objective incorporates the benefits of trust-region, effectively constraining policy drift during SFT while maintaining competitive tuning. By viewing SFT as a special case of policy gradient methods with constant positive advantages, we derive PSFT that stabilizes optimization and leads to generalization, while leaving room for further optimization in subsequent post-training stages. Experiments across mathematical and human-value domains show that PSFT matches SFT in-domain, outperforms it in out-of-domain generalization, remains stable under prolonged training without causing entropy collapse, and provides a stronger foundation for the subsequent optimization.

There are several applications of stochastic optimization where one can benefit from a robust estimate of the gradient. For example, domains such as distributed learning with corrupted nodes, the presence of large outliers in the training data, learning under privacy constraints, or even heavy-tailed noise due to the dynamics of the algorithm itself. Here we study SGD with robust gradient estimators based on estimating the median. We first consider computing the median gradient across samples, and show that the resulting method can converge even under heavy-tailed, state-dependent noise. We then derive iterative methods based on the stochastic proximal point method for computing the geometric median and generalizations thereof. Finally we propose an algorithm estimating the median gradient across iterations, and find that several well known methods - in particular different forms of clipping - are particular cases of this framework.

Recent work in scientific machine learning (SciML) has focused on incorporating partial differential equation (PDE) information into the learning process. Much of this work has focused on relatively ``easy'' PDE operators (e.g., elliptic and parabolic), with less emphasis on relatively ``hard'' PDE operators (e.g., hyperbolic). Within numerical PDEs, the latter problem class requires control of a type of volume element or conservation constraint, which is known to be challenging. Delivering on the promise of SciML requires seamlessly incorporating both types of problems into the learning process. To address this issue, we propose ProbConserv, a framework for incorporating conservation constraints into a generic SciML architecture. To do so, ProbConserv combines the integral form of a conservation law with a Bayesian update. We provide a detailed analysis of ProbConserv on learning with the Generalized Porous Medium Equation (GPME), a widely-applicable parameterized family of PDEs that illustrates the qualitative properties of both easier and harder PDEs. ProbConserv is effective for easy GPME variants, performing well with state-of-the-art competitors; and for harder GPME variants it outperforms other approaches that do not guarantee volume conservation. ProbConserv seamlessly enforces physical conservation constraints, maintains probabilistic uncertainty quantification (UQ), and deals well with shocks and heteroscedasticities. In each case, it achieves superior predictive performance on downstream tasks.