Daily Papers

The last layer of neural language models (LMs) projects output features of dimension D to logits in dimension V, the size of the vocabulary, where usually D ll V. This mismatch is known to raise risks of limited expressivity in neural LMs, creating a so-called softmax bottleneck. We show the softmax bottleneck is not only an expressivity bottleneck but also an optimization bottleneck. Backpropagating V-dimensional gradients through a rank-D linear layer induces unavoidable compression, which alters the training feedback provided to the vast majority of the parameters. We present a theoretical analysis of this phenomenon and measure empirically that 95-99% of the gradient norm is suppressed by the output layer, resulting in vastly suboptimal update directions. We conduct controlled pretraining experiments showing that the gradient bottleneck makes trivial patterns unlearnable, and drastically affects the training dynamics of LLMs. We argue that this inherent flaw contributes to training inefficiencies at scale independently of the model architecture, and raises the need for new LM head designs.

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.

Data selection is a critical aspect of Reinforcement Learning with Verifiable Rewards (RLVR) for enhancing the reasoning capabilities of large language models (LLMs). Current data selection methods are largely heuristic-based, lacking theoretical guarantees and generalizability. This work proposes a theoretically-grounded approach using influence functions to estimate the contribution of each data point to the learning objective. To overcome the prohibitive computational cost of policy rollouts required for online influence estimation, we introduce an off-policy influence estimation method that efficiently approximates data influence using pre-collected offline trajectories. Furthermore, to manage the high-dimensional gradients of LLMs, we employ sparse random projection to reduce dimensionality and improve storage and computation efficiency. Leveraging these techniques, we develop Curriculum RL with Off-Policy Influence guidance (CROPI), a multi-stage RL framework that iteratively selects the most influential data for the current policy. Experiments on models up to 7B parameters demonstrate that CROPI significantly accelerates training. On a 1.5B model, it achieves a 2.66x step-level acceleration while using only 10\% of the data per stage compared to full-dataset training. Our results highlight the substantial potential of influence-based data selection for efficient RLVR.

In Federated Learning (FL) and many other distributed training frameworks, collaborators can hold their private data locally and only share the network weights trained with the local data after multiple iterations. Gradient inversion is a family of privacy attacks that recovers data from its generated gradients. Seemingly, FL can provide a degree of protection against gradient inversion attacks on weight updates, since the gradient of a single step is concealed by the accumulation of gradients over multiple local iterations. In this work, we propose a principled way to extend gradient inversion attacks to weight updates in FL, thereby better exposing weaknesses in the presumed privacy protection inherent in FL. In particular, we propose a surrogate model method based on the characteristic of two-dimensional gradient flow and low-rank property of local updates. Our method largely boosts the ability of gradient inversion attacks on weight updates containing many iterations and achieves state-of-the-art (SOTA) performance. Additionally, our method runs up to 100times faster than the SOTA baseline in the common FL scenario. Our work re-evaluates and highlights the privacy risk of sharing network weights. Our code is available at https://github.com/JunyiZhu-AI/surrogate_model_extension.

We introduce LinAlg-Bench, a diagnostic benchmark evaluating 10 frontier large language models on structured linear algebra computation across a strict dimensional gradient of 3x3, 4x4, and 5x5 matrices. Spanning 9 task types and 660 SymPy-certified problems, the benchmark exhaustively evaluates 6,600 model outputs. Beyond binary accuracy, LinAlg-Bench introduces a three-stage automated forensic pipeline classifying 1,156 failures into ten primary error tags with fine-grained subtypes, revealing that LLM mathematical failure is not random but structurally constrained by algorithm type and matrix dimension. Our central finding is a sharp behavioral threshold at 4x4 scale: below it, models fail through execution errors -- sign tracking failures, arithmetic drift, and parity errors; above it, failure transitions to computational abandonment, with models fabricating responses through tool roleplay, constraint-consistent confabulation, and structured hallucination rather than attempting computation. This fabrication-to-abandonment transition is near-universal across all model tiers and architectures, suggesting a working memory limit rather than a knowledge gap, supported by three scale-emergent error types absent at 3x3 but present at 4x4 and 5x5. We further show that solution strategy rigidity is a near-perfect predictor of 5x5 determinant accuracy, document constraint-aware confabulation as a novel structured hallucination failure mode, and release all data, model outputs, error labels, and judge pipeline publicly.

We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or edges to topological domains. TNOs represent data as features defined on cells of varying dimension and model their interactions through Discrete Exterior Calculus, enabling explicit cross-dimensional coupling via gradient-, curl-, and divergence-type operators. The key design principle is to decouple where information flows, as governed by fixed topological operators, from how it is transformed (which is learned), yielding models that respect the geometric support of physical quantities and expose conservation and compatibility structure. We further propose Hierarchical TNOs (HTNOs), which incorporate learned coarse complexes to propagate long-range and topology-dependent information. Our framework subsumes existing NOs as a special case, providing a unified perspective on operator learning across discretizations. Across a range of PDE benchmarks, including irregular-geometry flow problems, TNOs and HTNOs improve accuracy; controlled studies further isolate the benefits of native higher-rank and topological structure. Project page: https://circle-group.github.io/research/TNO

Optimizing expensive, high-dimensional black-box functions remains a central challenge in modern machine learning and scientific discovery. While local Bayesian optimization mitigates the curse of dimensionality, existing techniques often prioritize the probability of descent over the magnitude of progress. This leads to overly conservative steps that yield negligible improvement, wasting queries on directions that are nearly certain to descend but offer little decrease. We introduce Gradient Refinement and Progress-Aware Exploitation (GRAPE), a two-stage framework that first sharpens the local gradient posterior via a closed-form acquisition function, then selects update directions by maximizing the expected decrease conditional on descent. Theoretical analysis proves that this gradient refinement stage monotonically minimizes local uncertainty and that the progress-aware direction converges to true steepest descent as the posterior sharpens. Empirically, GRAPE demonstrates superior query efficiency across high-dimensional tasks: in black-box adversarial attacks, it achieves an average 5.4times speedup over baselines, and on large language model prompt optimization tasks, it outperforms the second best method by a reduction of 3.8 log-units in the final average regret.

Recent advancements in the ability to construct three-dimensional (3D) tissues and organoids from stem cells and biomaterials have not only opened abundant new research avenues in disease modeling and regenerative medicine but also have ignited investigation into important aspects of molecular diffusion in 3D cellular architectures. This paper describes fundamental mechanics of diffusion with equations for modeling these dynamic processes under a variety of scenarios in 3D cellular tissue constructs. The effects of these diffusion processes and resultant concentration gradients are described in the context of the major molecular signaling pathways in stem cells that both mediate and are influenced by gas and nutrient concentrations, including how diffusion phenomena can affect stem cell state, cell differentiation, and metabolic states of the cell. The application of these diffusion models and pathways is of vital importance for future studies of developmental processes, disease modeling, and tissue regeneration.

We rigorously study the joint evolution of training dynamics via stochastic gradient descent (SGD) and the spectra of empirical Hessian and gradient matrices. We prove that in two canonical classification tasks for multi-class high-dimensional mixtures and either 1 or 2-layer neural networks, the SGD trajectory rapidly aligns with emerging low-rank outlier eigenspaces of the Hessian and gradient matrices. Moreover, in multi-layer settings this alignment occurs per layer, with the final layer's outlier eigenspace evolving over the course of training, and exhibiting rank deficiency when the SGD converges to sub-optimal classifiers. This establishes some of the rich predictions that have arisen from extensive numerical studies in the last decade about the spectra of Hessian and information matrices over the course of training in overparametrized networks.

Policy gradient methods are an appealing approach in reinforcement learning because they directly optimize the cumulative reward and can straightforwardly be used with nonlinear function approximators such as neural networks. The two main challenges are the large number of samples typically required, and the difficulty of obtaining stable and steady improvement despite the nonstationarity of the incoming data. We address the first challenge by using value functions to substantially reduce the variance of policy gradient estimates at the cost of some bias, with an exponentially-weighted estimator of the advantage function that is analogous to TD(lambda). We address the second challenge by using trust region optimization procedure for both the policy and the value function, which are represented by neural networks. Our approach yields strong empirical results on highly challenging 3D locomotion tasks, learning running gaits for bipedal and quadrupedal simulated robots, and learning a policy for getting the biped to stand up from starting out lying on the ground. In contrast to a body of prior work that uses hand-crafted policy representations, our neural network policies map directly from raw kinematics to joint torques. Our algorithm is fully model-free, and the amount of simulated experience required for the learning tasks on 3D bipeds corresponds to 1-2 weeks of real time.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

Human preference alignment is critical in building powerful and reliable large language models (LLMs). However, current methods either ignore the multi-dimensionality of human preferences (e.g. helpfulness and harmlessness) or struggle with the complexity of managing multiple reward models. To address these issues, we propose Sequential Preference Optimization (SPO), a method that sequentially fine-tunes LLMs to align with multiple dimensions of human preferences. SPO avoids explicit reward modeling, directly optimizing the models to align with nuanced human preferences. We theoretically derive closed-form optimal SPO policy and loss function. Gradient analysis is conducted to show how SPO manages to fine-tune the LLMs while maintaining alignment on previously optimized dimensions. Empirical results on LLMs of different size and multiple evaluation datasets demonstrate that SPO successfully aligns LLMs across multiple dimensions of human preferences and significantly outperforms the baselines.

We analyze cumulative parameter trajectories of transformer training under AdamW and identify a dominant low-dimensional drift direction ("backbone") that captures 60--80% of long-horizon displacement from initialization. This direction is highly stable over rolling training windows yet reorients gradually across phases, particularly following objective reweighting. Per-batch gradients exhibit near-noise-floor alignment with the backbone, whereas optimizer-integrated updates align strongly with it, indicating that the structure emerges from accumulated optimizer dynamics rather than instantaneous gradient geometry. Replacing AdamW with SGD-family optimizers eliminates this structure, and reducing β_2 smoothly degrades backbone dominance and reheating recoverability. Reheating experiments show that transverse probe modes can be transiently re-excited without substantially altering accumulated backbone drift. These results provide a trajectory-level characterization of optimizer-induced geometric structure in transformer training and shift attention from instantaneous gradient properties to cumulative update dynamics.

Rapidly learning abstract concepts from limited examples is a hallmark of human intelligence. This work investigates whether gradient-based meta-learning can equip neural networks with inductive biases for efficient few-shot acquisition of discrete concepts. I compare meta-learning methods against a supervised learning baseline on Boolean concepts (logical statements) generated by a probabilistic context-free grammar (PCFG). By systematically varying concept dimensionality (number of features) and recursive compositionality (depth of grammar recursion), I delineate between complexity regimes in which meta-learning robustly improves few-shot concept learning and regimes in which it does not. Meta-learners are much better able to handle compositional complexity than featural complexity. I highlight some reasons for this with a representational analysis of the weights of meta-learners and a loss landscape analysis demonstrating how featural complexity increases the roughness of loss trajectories, allowing curvature-aware optimization to be more effective than first-order methods. I find improvements in out-of-distribution generalization on complex concepts by increasing the number of adaptation steps in meta-SGD, where adaptation acts as a way of encouraging exploration of rougher loss basins. Overall, this work highlights the intricacies of learning compositional versus featural complexity in high dimensional concept spaces and provides a road to understanding the role of 2nd order methods and extended gradient adaptation in few-shot concept learning.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

Training large language models (LLMs) is often bottlenecked by extreme memory demands, with optimizer states dominating the footprint. Recent works mitigates this cost by projecting gradients into low-dimensional subspaces using sophisticated update strategies. In this paper, we analyze the dynamics of gradient space and its underlying subspaces. We find that while a small subspace captures most gradient energy, a significant portion still resides in the residual bulk; moreover, the influence of the core subspace diminishes over time and in deeper layers. We also observe that the gradient space exhibits near-flat curvature, calling for algorithms that explicitly account for this geometry. Motivated by these insights, we introduce a suite of randomized algorithms, GrassWalk and GrassJump, which exploit subspace and achieve state-of-the-art memory savings while improving performance on LLaMA-1B and LLaMA-7B pretraining.

While reinforcement learning for large language model alignment has progressed rapidly in recent years, transferring these paradigms to high-stakes medical question answering reveals a fundamental paradigm mismatch. Reinforcement Learning from Human Feedback relies on preference annotations that are prohibitively expensive and often fail to reflect the absolute correctness of medical facts. Reinforcement Learning from Verifiable Rewards lacks effective automatic verifiers and struggles to handle complex clinical contexts. Meanwhile, medical alignment requires the simultaneous optimization of correctness, safety, and compliance, yet multi-objective heterogeneous reward signals are prone to scale mismatch and optimization conflicts.To address these challenges, we propose a robust medical alignment paradigm. We first construct a holistic multi-dimensional medical alignment matrix that decomposes alignment objectives into four categories: fundamental capabilities, expert knowledge, online feedback, and format specifications. Within each category, we establish a closed loop of where observable metrics inform attributable diagnosis, which in turn drives optimizable rewards, thereby providing fine-grained, high-resolution supervision signals for subsequent iterative optimization. To resolve gradient domination and optimization instability problem caused by heterogeneous signals, we further propose a unified optimization mechanism. This mechanism employs Reference-Frozen Normalization to align reward scales and implements a Tri-Factor Adaptive Dynamic Weighting strategy to achieve collaborative optimization that is weakness-oriented, risk-prioritized, and redundancy-reducing. Experimental results demonstrate the effectiveness of our proposed paradigm in real-world medical scenario evaluations, establishing a new paradigm for complex alignment in vertical domains.

Wasserstein Gradient Flows (WGF) with respect to specific functionals have been widely used in the machine learning literature. Recently, neural networks have been adopted to approximate certain intractable parts of the underlying Wasserstein gradient flow and result in efficient inference procedures. In this paper, we introduce the Neural Sinkhorn Gradient Flow (NSGF) model, which parametrizes the time-varying velocity field of the Wasserstein gradient flow w.r.t. the Sinkhorn divergence to the target distribution starting a given source distribution. We utilize the velocity field matching training scheme in NSGF, which only requires samples from the source and target distribution to compute an empirical velocity field approximation. Our theoretical analyses show that as the sample size increases to infinity, the mean-field limit of the empirical approximation converges to the true underlying velocity field. To further enhance model efficiency on high-dimensional tasks, a two-phase NSGF++ model is devised, which first follows the Sinkhorn flow to approach the image manifold quickly (le 5 NFEs) and then refines the samples along a simple straight flow. Numerical experiments with synthetic and real-world benchmark datasets support our theoretical results and demonstrate the effectiveness of the proposed methods.

Quantized neural network training optimizes a discrete, non-differentiable objective. The straight-through estimator (STE) enables backpropagation through surrogate gradients and is widely used. While previous studies have primarily focused on the properties of surrogate gradients and their convergence, the influence of quantization hyperparameters, such as bit width and quantization range, on learning dynamics remains largely unexplored. We theoretically show that in the high-dimensional limit, STE dynamics converge to a deterministic ordinary differential equation. This reveals that STE training exhibits a plateau followed by a sharp drop in generalization error, with plateau length depending on the quantization range. A fixed-point analysis quantifies the asymptotic deviation from the unquantized linear model. We also extend analytical techniques for stochastic gradient descent to nonlinear transformations of weights and inputs.

The skeleton of a digital image is a compact representation of its topology, geometry, and scale. It has utility in many computer vision applications, such as image description, segmentation, and registration. However, skeletonization has only seen limited use in contemporary deep learning solutions. Most existing skeletonization algorithms are not differentiable, making it impossible to integrate them with gradient-based optimization. Compatible algorithms based on morphological operations and neural networks have been proposed, but their results often deviate from the geometry and topology of the true medial axis. This work introduces the first three-dimensional skeletonization algorithm that is both compatible with gradient-based optimization and preserves an object's topology. Our method is exclusively based on matrix additions and multiplications, convolutional operations, basic non-linear functions, and sampling from a uniform probability distribution, allowing it to be easily implemented in any major deep learning library. In benchmarking experiments, we prove the advantages of our skeletonization algorithm compared to non-differentiable, morphological, and neural-network-based baselines. Finally, we demonstrate the utility of our algorithm by integrating it with two medical image processing applications that use gradient-based optimization: deep-learning-based blood vessel segmentation, and multimodal registration of the mandible in computed tomography and magnetic resonance images.

We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.

Significant recent work has studied the ability of gradient descent to recover a hidden planted direction θ^star in S^{d-1} in different high-dimensional settings, including tensor PCA and single-index models. The key quantity that governs the ability of gradient descent to traverse these landscapes is the information exponent k^star (Ben Arous et al., (2021)), which corresponds to the order of the saddle at initialization in the population landscape. Ben Arous et al., (2021) showed that n gtrsim d^{max(1, k^star-1)} samples were necessary and sufficient for online SGD to recover θ^star, and Ben Arous et al., (2020) proved a similar lower bound for Langevin dynamics. More recently, Damian et al., (2023) showed it was possible to circumvent these lower bounds by running gradient descent on a smoothed landscape, and that this algorithm succeeds with n gtrsim d^{max(1, k^star/2)} samples, which is optimal in the worst case. This raises the question of whether it is possible to achieve the same rate without explicit smoothing. In this paper, we show that Langevin dynamics can succeed with n gtrsim d^{ k^star/2 } samples if one considers the average iterate, rather than the last iterate. The key idea is that the combination of noise-injection and iterate averaging is able to emulate the effect of landscape smoothing. We apply this result to both the tensor PCA and single-index model settings. Finally, we conjecture that minibatch SGD can also achieve the same rate without adding any additional noise.

As Large Language Models (LLMs) become integral software components in modern applications, unauthorized model derivations through fine-tuning, merging, and redistribution have emerged as critical software engineering challenges. Unlike traditional software where clone detection and license compliance are well-established, the LLM ecosystem lacks effective mechanisms to detect model lineage and enforce licensing agreements. This gap is particularly problematic when open-source model creators, such as Meta's LLaMA, require derivative works to maintain naming conventions for attribution, yet no technical means exist to verify compliance. To fill this gap, treating LLMs as software artifacts requiring provenance tracking, we present TensorGuard, a gradient-based fingerprinting framework for LLM similarity detection and family classification. Our approach extracts model-intrinsic behavioral signatures by analyzing gradient responses to random input perturbations across tensor layers, operating independently of training data, watermarks, or specific model formats. TensorGuard supports the widely-adopted safetensors format and constructs high-dimensional fingerprints through statistical analysis of gradient features. These fingerprints enable two complementary capabilities: direct pairwise similarity assessment between arbitrary models through distance computation, and systematic family classification of unknown models via the K-Means clustering algorithm with domain-informed centroid initialization using known base models. Experimental evaluation on 58 models comprising 8 base models and 50 derivatives across five model families (Llama, Qwen, Gemma, Phi, Mistral) demonstrates 94% classification accuracy under our centroid-initialized K-Means clustering.

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

Gradient-based methods for instance-based explanation for large language models (LLMs) are hindered by the immense dimensionality of model gradients. In practice, influence estimation is restricted to a subset of model parameters to make computation tractable, but this subset is often chosen ad hoc and rarely justified by systematic evaluation. This paper investigates if it is better to create low-dimensional representations by selecting a small, architecturally informed subset of model components or by projecting the full gradients into a lower-dimensional space. Using a novel benchmark, we show that a greedily selected subset of components captures the information about training data influence needed for a retrieval task more effectively than either the full gradient or random projection. We further find that this approach is more computationally efficient than random projection, demonstrating that targeted component selection is a practical strategy for making instance-based explanations of large models more computationally feasible.

It is folklore that reusing training data more than once can improve the statistical efficiency of gradient-based learning. While this phenomenon has been extensively studied in linear regression, the benefit of multi-pass gradient descent (GD, which reuses all the data) over one-pass stochastic gradient descent (online SGD, which uses each data point only once) is not well-understood in nonlinear and non-convex settings, except for a loss modification mechanism achieved by the first two passes on the data. In this work, we consider learning a d-dimensional single-index model with a quadratic activation, for which it is known that one-pass SGD requires ngtrsim dlog d samples to achieve weak recovery. We first show that this log d factor in the sample complexity persists for full-batch spherical GD on the correlation loss; however, by simply truncating the activation, full-batch GD exhibits a favorable optimization landscape at n simeq d samples, thereby outperforming one-pass SGD (with the same activation) in statistical efficiency. We complement this result with a trajectory analysis of full-batch GD on the squared loss from small initialization, showing that n gtrsim d samples and T gtrsimlog d gradient steps suffice to achieve strong (exact) recovery.

We introduce a new generative model where samples are produced via Langevin dynamics using gradients of the data distribution estimated with score matching. Because gradients can be ill-defined and hard to estimate when the data resides on low-dimensional manifolds, we perturb the data with different levels of Gaussian noise, and jointly estimate the corresponding scores, i.e., the vector fields of gradients of the perturbed data distribution for all noise levels. For sampling, we propose an annealed Langevin dynamics where we use gradients corresponding to gradually decreasing noise levels as the sampling process gets closer to the data manifold. Our framework allows flexible model architectures, requires no sampling during training or the use of adversarial methods, and provides a learning objective that can be used for principled model comparisons. Our models produce samples comparable to GANs on MNIST, CelebA and CIFAR-10 datasets, achieving a new state-of-the-art inception score of 8.87 on CIFAR-10. Additionally, we demonstrate that our models learn effective representations via image inpainting experiments.

In recent years, particle-based variational inference (ParVI) methods such as Stein variational gradient descent (SVGD) have grown in popularity as scalable methods for Bayesian inference. Unfortunately, the properties of such methods invariably depend on hyperparameters such as the learning rate, which must be carefully tuned by the practitioner in order to ensure convergence to the target measure at a suitable rate. In this paper, we introduce a suite of new particle-based methods for scalable Bayesian inference based on coin betting, which are entirely learning-rate free. We illustrate the performance of our approach on a range of numerical examples, including several high-dimensional models and datasets, demonstrating comparable performance to other ParVI algorithms with no need to tune a learning rate.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.

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.

Iterative optimization is central to modern artificial intelligence (AI) and provides a crucial framework for understanding adaptive systems. This review provides a unified perspective on this subject, bridging classic theory with neural network training and biological learning. Although gradient-based methods, powered by the efficient but biologically implausible backpropagation (BP), dominate machine learning, their computational demands can hinder scalability in high-dimensional settings. In contrast, derivative-free or zeroth-order (ZO) optimization feature computationally lighter approaches that rely only on function evaluations and randomness. While generally less sample efficient, recent breakthroughs demonstrate that modern ZO methods can effectively approximate gradients and achieve performance competitive with BP in neural network models. This ZO paradigm is also particularly relevant for biology. Its core principles of random exploration (probing) and feedback-guided adaptation (reinforcing) parallel key mechanisms of biological learning, offering a mathematically principled perspective on how the brain learns. In this review, we begin by categorizing optimization approaches based on the order of derivative information they utilize, ranging from first-, second-, and higher-order gradient-based to ZO methods. We then explore how these methods are adapted to the unique challenges of neural network training and the resulting learning dynamics. Finally, we build upon these insights to view biological learning through an optimization lens, arguing that a ZO paradigm leverages the brain's intrinsic noise as a computational resource. This framework not only illuminates our understanding of natural intelligence but also holds vast implications for neuromorphic hardware, helping us design fast and energy-efficient AI systems that exploit intrinsic hardware noise.

In many reasoning problems, the premises are not observed as discrete symbols, but must be inferred from high-dimensional inputs. Further, the predicate vocabulary, argument structure, and trusted evidence are supplied by a Knowledge Graph (KG), or rule definitions. Classical neuro-symbolic pipelines have a discrete interface between perception and deduction. We present a neuro-soft-symbolic architecture for differentiable deductive reasoning over latent perceptual facts and knowledge-provided predicates. SoftReason removes the gradient gap by representing the deductive state as a local soft interpretation tensor over candidate constants and predicates. Perception proposes probabilistic base facts, KG triples enter as high-confidence soft evidence, and every query anchor, predicate choice, and closure update remains differentiable. Our core innovation is a learned differentiable lift of the immediate-consequence operator. It uses predicate-definition embeddings and latent composition channels to form soft body-predicate mixtures, aggregate over all possible witnesses, propose query-conditioned head facts, and update the interpretation through a monotone probabilistic OR. We instantiate the framework on Knowledge-aware Visual Question Answering (KVQA), and demonstrates how SoftReason supports end-to-end perceptual grounding, KG evidence injection, and differentiable deductive closure in one trainable architecture.

We study the large scale behavior of a collection of hard core run and tumble particles on a one dimensional lattice with periodic boundary conditions. Each particle has persistent motion in one direction decided by an associated spin variable until the direction of spin is reversed. We map the run and tumble model to a mass transfer model with fluctuating directed bonds. We calculate the steady state single site mass distribution in the mass model within a mean field approximation for larger spin-flip rates and by analyzing an appropriate coalescence fragmentation model for small spin-flip rates. We also calculate the hydrodynamic coefficients of diffusivity and conductivity for both large and small spin-flip rates and show that the Einstein relation is violated in both regimes. We also show how the non-gradient nature of the process can be taken into account in a systematic manner to calculate the hydrodynamic coefficients.

The inhomogeneous magnetic stray field of micromagnets has been extensively used to manipulate electron spin qubits. By means of micromagnetic simulations and scanning superconducting quantum interference device microscopy, we show that the polycrystallinity of the magnet and non-uniform magnetization significantly impact the stray field and corresponding qubit properties. We find that the random orientation of the crystal axis in polycrystalline Co magnets alters the qubit frequencies by up to 0.5 GHz, compromising single qubit addressability and single gate fidelities. We map the stray field of Fe micromagnets with an applied magnetic field of up to 500 mT (mimicking conditions when operating qubits), finding field gradients above 1 mT/nm. The measured gradients and the lower magnetocrystalline anisotropy of Fe demonstrate the advantage of using Fe instead of Co for magnets in spin qubit devices. These properties of Fe also enabled us to design a 2D arrangement of nanomagnets for driving spin qubits distributed on a 2D lattice.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Expressive continuous control policies, such as diffusion and flow models, form the backbone of recent advances in scaling imitation learning for simulated and real robot control. While they are known to scale stably in the supervised imitation learning setting, incorporating them into reinforcement learning (RL) pipelines for policy improvement has proven more difficult. It often requires specialized training objectives or backpropagating through denoising processes, which cause well-known issues with stability and affect scalability. In this paper we study the question of whether simple policy improvement schemes at test time alone, leaving stable supervised policy training intact, can be a competitive alternative which sidesteps these issues. To this end, we propose QGF (Q-Guided Flow), an RL algorithm that performs policy optimization entirely at test time. QGF works by pre-training both a reference flow policy (via a standard behavioral cloning objective) and a value function critic and, at test time, using the value gradient to guide the reference policy to generate higher-value actions without any additional policy learning. Empirically, QGF outperforms prior test-time RL methods on single-task and goal-conditioned offline RL benchmarks with high-dimensional action spaces, and is competitive with state-of-the-art training-time algorithms while being much cheaper to run. Moreover, it exhibits favorable scaling with model size by avoiding the instability of actor-critic training, offering a practical and effective alternative RL algorithm with expressive policies.

Low-bit quantization suffers severe accuracy degradation on compact networks, rooted in the dominant full-parameter coupled training paradigm that ignores parameter subspace heterogeneity. Their limited feature redundancy leaves little room to absorb quantization errors. Conventional pipelines adopt monolithic optimization: PTQ reconstructs fixed pretrained models without improving inherent quantization friendliness; QAT updates all parameters jointly, suffering from gradient coupling between backbone weights and calibration parameters. In this paper, we identify normalization affine parameters as a low-dimensional high-leverage subspace dominating quantization robustness, and propose Normalization Affine Preconditioning (NAP) for targeted subspace optimization. For PTQ, NAP freezes backbone weights and fine-tunes only affine parameters under the target fake-quantization graph on full-precision models, proactively boosting quantization friendliness before downstream reconstruction. For QAT, we introduce an alternating QAT-NAP schema that decouples feature learning and numerical calibration, breaking the performance ceiling of saturated joint training. Theoretical analysis confirms BN affine parameters fully cancel the channel-wise affine component of quantization distortion, while nonlinear rounding and clipping residuals form the irreducible error boundary; distillation-guided NAP acts as directional flatness optimization, projecting teacher-student logit mismatch onto the restricted subspace. Experiments on ImageNet and CIFAR-100 show NAP recovers severely collapsed low-bit quantization, consistently boosts reconstruction-based PTQ, and outperforms saturated full-parameter QAT with negligible tuning cost. This work reveals the principle of targeted low-dimensional subspace optimization, offering a new perspective beyond full-parameter coupled training for efficient deep learning.

Model-internal features can be studied through both their ability to identify a specified concept and their causal effect when manipulated, e.g., through steering or weight editing. A prominent approach to feature learning is Sparse Autoencoders (SAEs), which learn broad feature dictionaries whose relation to particular concepts is typically identified post hoc. However, many interpretability questions are instead hypothesis-driven and concern a concept specified in advance. We study this setting as targeted feature learning, where a single feature is constructed for such a predefined concept. We present a controlled comparison across three model signals (activation values, activation gradients, and parameter gradients) and two estimators (contrastive mean and a learned one-dimensional encoder-decoder), yielding six targeted methods, with CAA and GRADIEND as existing instances and four new methods covering the remaining combinations. We compare these methods against pretrained SAEs across 15 tasks and three language models, evaluating both detection and causal intervention. Across models, the strongest detection performance is achieved by contrastive activation value methods, whereas the strongest intervention performance is achieved by gradient-based methods. Overall, our results show that targeted feature quality depends jointly on the model signal and estimator, with detection and intervention capturing complementary properties.

Particle gradient descent, which uses particles to represent a probability measure and performs gradient descent on particles in parallel, is widely used to optimize functions of probability measures. This paper considers particle gradient descent with a finite number of particles and establishes its theoretical guarantees to optimize functions that are displacement convex in measures. Concretely, for Lipschitz displacement convex functions defined on probability over R^d, we prove that O(1/epsilon^2) particles and O(d/epsilon^4) computations are sufficient to find the epsilon-optimal solutions. We further provide improved complexity bounds for optimizing smooth displacement convex functions. We demonstrate the application of our results for function approximation with specific neural architectures with two-dimensional inputs.

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

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.

A ubiquitous feature of data of our era is their extra-large sizes and dimensions. Analyzing such high-dimensional data poses significant challenges, since the feature dimension is often much larger than the sample size. This thesis introduces robust and computationally efficient methods to address several common challenges associated with high-dimensional data. In my first manuscript, I propose a coherent approach to variable screening that accommodates nonlinear associations. I develop a novel variable screening method that transcends traditional linear assumptions by leveraging mutual information, with an intended application in neuroimaging data. This approach allows for accurate identification of important variables by capturing nonlinear as well as linear relationships between the outcome and covariates. Building on this foundation, I develop new optimization methods for sparse estimation using nonconvex penalties in my second manuscript. These methods address notable challenges in current statistical computing practices, facilitating computationally efficient and robust analyses of complex datasets. The proposed method can be applied to a general class of optimization problems. In my third manuscript, I contribute to robust modeling of high-dimensional correlated observations by developing a mixed-effects model based on Tsallis power-law entropy maximization and discussed the theoretical properties of such distribution. This model surpasses the constraints of conventional Gaussian models by accommodating a broader class of distributions with enhanced robustness to outliers. Additionally, I develop a proximal nonlinear conjugate gradient algorithm that accelerates convergence while maintaining numerical stability, along with rigorous statistical properties for the proposed framework.

Recent advances in Text-to-Image (T2I) generative models, such as Imagen, Stable Diffusion, and FLUX, have led to remarkable improvements in visual quality. However, their performance is fundamentally limited by the quality of training data. Web-crawled and synthetic image datasets often contain low-quality or redundant samples, which lead to degraded visual fidelity, unstable training, and inefficient computation. Hence, effective data selection is crucial for improving data efficiency. Existing approaches rely on costly manual curation or heuristic scoring based on single-dimensional features in Text-to-Image data filtering. Although meta-learning based method has been explored in LLM, there is no adaptation for image modalities. To this end, we propose **Alchemist**, a meta-gradient-based framework to select a suitable subset from large-scale text-image data pairs. Our approach automatically learns to assess the influence of each sample by iteratively optimizing the model from a data-centric perspective. Alchemist consists of two key stages: data rating and data pruning. We train a lightweight rater to estimate each sample's influence based on gradient information, enhanced with multi-granularity perception. We then use the Shift-Gsampling strategy to select informative subsets for efficient model training. Alchemist is the first automatic, scalable, meta-gradient-based data selection framework for Text-to-Image model training. Experiments on both synthetic and web-crawled datasets demonstrate that Alchemist consistently improves visual quality and downstream performance. Training on an Alchemist-selected 50% of the data can outperform training on the full dataset.

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 .

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm that brings flow matching into the policy gradient framework. FPO casts policy optimization as maximizing an advantage-weighted ratio computed from the conditional flow matching loss, in a manner compatible with the popular PPO-clip framework. It sidesteps the need for exact likelihood computation while preserving the generative capabilities of flow-based models. Unlike prior approaches for diffusion-based reinforcement learning that bind training to a specific sampling method, FPO is agnostic to the choice of diffusion or flow integration at both training and inference time. We show that FPO can train diffusion-style policies from scratch in a variety of continuous control tasks. We find that flow-based models can capture multimodal action distributions and achieve higher performance than Gaussian policies, particularly in under-conditioned settings.

Quality-Diversity algorithms, such as MAP-Elites, are a branch of Evolutionary Computation generating collections of diverse and high-performing solutions, that have been successfully applied to a variety of domains and particularly in evolutionary robotics. However, MAP-Elites performs a divergent search based on random mutations originating from Genetic Algorithms, and thus, is limited to evolving populations of low-dimensional solutions. PGA-MAP-Elites overcomes this limitation by integrating a gradient-based variation operator inspired by Deep Reinforcement Learning which enables the evolution of large neural networks. Although high-performing in many environments, PGA-MAP-Elites fails on several tasks where the convergent search of the gradient-based operator does not direct mutations towards archive-improving solutions. In this work, we present two contributions: (1) we enhance the Policy Gradient variation operator with a descriptor-conditioned critic that improves the archive across the entire descriptor space, (2) we exploit the actor-critic training to learn a descriptor-conditioned policy at no additional cost, distilling the knowledge of the archive into one single versatile policy that can execute the entire range of behaviors contained in the archive. Our algorithm, DCG-MAP-Elites improves the QD score over PGA-MAP-Elites by 82% on average, on a set of challenging locomotion tasks.

Across many scientific fields, measurements often represent the number of times an event occurs. For example, a document can be represented by word occurrence counts, neural activity by spike counts per time window, or online communication by daily email counts. These measurements yield high-dimensional count data that often approximate a Poisson distribution, frequently with low rates that produce substantial sparsity and complicate downstream analysis. A useful approach is to embed the data into a low-dimensional space that preserves meaningful structure, commonly termed dimensionality reduction. Yet existing dimensionality reduction methods, including both linear (e.g., PCA) and nonlinear approaches (e.g., t-SNE), often assume continuous Euclidean geometry, thereby misaligning with the discrete, sparse nature of low-rate count data. Here, we propose p-SNE (Poisson Stochastic Neighbor Embedding), a nonlinear neighbor embedding method designed around the Poisson structure of count data, using KL divergence between Poisson distributions to measure pairwise dissimilarity and Hellinger distance to optimize the embedding. We test p-SNE on synthetic Poisson data and demonstrate its ability to recover meaningful structure in real-world count datasets, including weekday patterns in email communication, research area clusters in OpenReview papers, and temporal drift and stimulus gradients in neural spike recordings.

Variational Quantum Algorithms (VQAs) rely heavily on classical optimization routines to navigate high-dimensional, noisy parameter landscapes. However, the evaluation of analytical gradients via the parameter-shift rule requires O(p) circuit executions, rendering this approach computationally prohibitive for deep circuits. While simultaneous perturbation methods provide an O(1) alternative, their gradient estimates suffer from severe O(p) spatial variance, which impedes convergence. To resolve this tension, we introduce the Cached Recycled Variance-Reduced Gradient (CRVG) by leveraging variance reduction techniques. We formulate two variants: a 3-Circuit (1-Sided) Non-Recursive CRVG and a Recursive CRVG. By introducing a center-point caching mechanism, the 3-Circuit CRVG mathematically recycles quantum measurements to reduce the inner-loop circuit complexity by 25\% across both variants. We establish a theoretical separation between the two routing paths to achieve an ε^2-stationary point: the non-recursive variant reaches a sample complexity of O(max{p/ε^2, p^{2/3}/ε^{10/3}}), while the recursive variant achieves an improved complexity of O(max{p/ε^2, p/ε^3}). Empirically, extensive evaluations on MaxCut and Maximum Independent Set (MIS) benchmarks validate these findings. While standard simultaneous perturbation remains a robust baseline across varying depths, CRVG demonstrates targeted advantages in specific amortizable regimes, such as the non-recursive variant on EfficientSU2 circuits and both variants on depth-three QAOA, yielding superior energy minimums and tighter output variances. Ultimately, CRVG establishes a principled bias-throughput trade-off for scaling near-term quantum optimization.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

Parameter-efficient fine-tuning (PEFT) has emerged as a practical solution for adapting large language models (LLMs) to custom datasets with significantly reduced computational cost. When carrying out PEFT under collaborative learning scenarios (e.g., federated learning), it is often required to exchange model updates (or gradients) across parties. These gradients, even with limited dimensions, can cause severe breach of data privacy. Recent works have shown that both contextual prefixes and personally identifiable information (PII) can be exposed through gradients. However, simultaneously and accurately recovering both components from the same training instance remains infeasible due to the following challenges: 1) limited number of PEFT parameters; 2) high-dimensional token spaces; and 3) large batch sizes. We propose ReCIT, a novel privacy attack that addresses all challenges, and achieves recovery of full private data from PEFT gradients with high fidelity. Specifically, ReCIT proposes to enhance the memorization capability of the pre-trained model through malicious fine-tuning with Personal Notes; ReCIT also proposes a novel filter-based token extraction technique and a token pairing mechanism, to accurately reconstruct tokens from the training sequences with large batch sizes. Extensive evaluations show that ReCIT consistently outperforms state-of-the-art gradient inversion and memorization-based attacks across different PEFT paradigms. It achieves up to 10times higher PII recovery rates and remains effective across varying batch sizes, especially in settings where prefix reconstruction is intractable for conventional approaches. These findings highlight an urgent need to reassess the privacy guarantees of PEFT, especially in decentralized or shared training environments.

Reinforcement learning (RL) is a core approach for robot control when expert demonstrations are unavailable. On-policy methods such as Proximal Policy Optimization (PPO) are widely used for their stability, but their reliance on narrowly distributed on-policy data limits accurate policy evaluation in high-dimensional state and action spaces. Off-policy methods can overcome this limitation by learning from a broader state-action distribution, yet suffer from slow convergence and instability, as fitting a value function over diverse data requires many gradient updates, causing critic errors to accumulate through bootstrapping. We present FlashSAC, a fast and stable off-policy RL algorithm built on Soft Actor-Critic. Motivated by scaling laws observed in supervised learning, FlashSAC sharply reduces gradient updates while compensating with larger models and higher data throughput. To maintain stability at increased scale, FlashSAC explicitly bounds weight, feature, and gradient norms, curbing critic error accumulation. Across over 60 tasks in 10 simulators, FlashSAC consistently outperforms PPO and strong off-policy baselines in both final performance and training efficiency, with the largest gains on high-dimensional tasks such as dexterous manipulation. In sim-to-real humanoid locomotion, FlashSAC reduces training time from hours to minutes, demonstrating the promise of off-policy RL for sim-to-real transfer.

Neural ordinary differential equations (neural ODEs) have rapidly gained prominence as a powerful and unifying framework for conceptualizing artificial neural networks, elegantly connecting the continuous-time modeling of dynamical systems with the discrete, data-driven paradigm of modern deep learning. Beyond their practical advantages they offer fresh theoretical insights into the training and generalization properties of neural networks. The distinctive feature of this framework is its dual dynamical nature: inference dynamics, which govern the ODE evolution during forward computation, and training dynamics, which control the optimization of model parameters. This makes neural ODEs a particularly well-suited theoretical framework for studying a large variety of settings such as multi-layer neural networks (ResNets for example), autoregressive models (with next-token generation dynamics), generative models, and recurrent neural networks in theoretical neuroscience. In this work, we introduce a theoretically grounded class of models for studying neural ODEs trained via online stochastic gradient descent. We solve the training dynamics of these models via dynamical mean field theory and derive learning curves in the high-dimensional limit.

We analyse the boundary behaviour of the gradient of the torsion function w_Om in convex domains OmsubsetR^d. We prove that its L^infty-norm is attained at a boundary point and establish the stability of this norm under general (convex) perturbations. For problems of the form $sup{|nabla w_{Om}|_infty: Om subset R^d,open, bounded and convex, G(Om)=m}, where G is either volume or perimeter, we show the existence of maximisers which are C^1-smooth, rotationally symmetric about an axis and contain a (d-1)$- dimensional ball (of estimated size) in their boundary. Other constraints, whether geometric (such as diameter or circumradius) or variational (such as torsion or first Dirichlet eigenvalue), are also briefly discussed, and some of their characteristic behaviours are highlighted.

With the increase in the number of parameters in large language models, the process of pre-training and fine-tuning increasingly demands larger volumes of GPU memory. A significant portion of this memory is typically consumed by the optimizer state. To overcome this challenge, recent approaches such as low-rank adaptation (LoRA (Hu et al., 2021)), low-rank gradient projection (GaLore (Zhao et al., 2024)), and blockwise optimization (BAdam (Luo et al., 2024)) have been proposed. However, in all these algorithms, the effective rank of the weight updates remains low-rank, which can lead to a substantial loss of information from the gradient. This loss can be critically important, especially during the pre-training stage. In this paper, we introduce FRUGAL (Full-Rank Updates with GrAdient spLitting), a new memory-efficient optimization framework. FRUGAL leverages gradient splitting to perform low-dimensional updates using advanced algorithms (such as Adam), while updates along the remaining directions are executed via state-free methods like SGD or signSGD (Bernstein et al., 2018). Our framework can be integrated with various low-rank update selection techniques, including GaLore and BAdam. We provide theoretical convergence guarantees for our framework when using SGDM for low-dimensional updates and SGD for state-free updates. Additionally, our method consistently outperforms concurrent approaches across various fixed memory budgets, achieving state-of-the-art results in pre-training and fine-tuning tasks while balancing memory efficiency and performance metrics.

The problem of visual metamerism is defined as finding a family of perceptually indistinguishable, yet physically different images. In this paper, we propose our NeuroFovea metamer model, a foveated generative model that is based on a mixture of peripheral representations and style transfer forward-pass algorithms. Our gradient-descent free model is parametrized by a foveated VGG19 encoder-decoder which allows us to encode images in high dimensional space and interpolate between the content and texture information with adaptive instance normalization anywhere in the visual field. Our contributions include: 1) A framework for computing metamers that resembles a noisy communication system via a foveated feed-forward encoder-decoder network -- We observe that metamerism arises as a byproduct of noisy perturbations that partially lie in the perceptual null space; 2) A perceptual optimization scheme as a solution to the hyperparametric nature of our metamer model that requires tuning of the image-texture tradeoff coefficients everywhere in the visual field which are a consequence of internal noise; 3) An ABX psychophysical evaluation of our metamers where we also find that the rate of growth of the receptive fields in our model match V1 for reference metamers and V2 between synthesized samples. Our model also renders metamers at roughly a second, presenting a times1000 speed-up compared to the previous work, which allows for tractable data-driven metamer experiments.

Large unimodal foundation models for vision and language encode rich semantic structures, yet aligning them typically requires computationally intensive multimodal fine-tuning. Such approaches depend on large-scale parameter updates, are resource intensive, and can perturb pretrained representations. Emerging evidence suggests, however, that independently trained foundation models may already exhibit latent semantic compatibility, reflecting shared structures in the data they model. This raises a fundamental question: can cross-modal alignment be achieved without modifying the models themselves? Here we introduce HDFLIM (HyperDimensional computing with Frozen Language and Image Models), a framework that establishes cross-modal mappings while keeping pretrained vision and language models fully frozen. HDFLIM projects unimodal embeddings into a shared hyperdimensional space and leverages lightweight symbolic operations -- binding, bundling, and similarity-based retrieval to construct associative cross-modal representations in a single pass over the data. Caption generation emerges from high-dimensional memory retrieval rather than iterative gradient-based optimization. We show that HDFLIM achieves performance comparable to end-to-end vision-language training methods and produces captions that are more semantically grounded than zero-shot baselines. By decoupling alignment from parameter tuning, our results suggest that semantic mapping across foundation models can be realized through symbolic operations on hyperdimensional encodings of the respective embeddings. More broadly, this work points toward an alternative paradigm for foundation model alignment in which frozen models are integrated through structured representational mappings rather than through large-scale retraining. The codebase for our implementation can be found at https://github.com/Abhishek-Dalvi410/HDFLIM.

Recent studies of gradient descent with large step sizes have shown that there is often a regime with an initial increase in the largest eigenvalue of the loss Hessian (progressive sharpening), followed by a stabilization of the eigenvalue near the maximum value which allows convergence (edge of stability). These phenomena are intrinsically non-linear and do not happen for models in the constant Neural Tangent Kernel (NTK) regime, for which the predictive function is approximately linear in the parameters. As such, we consider the next simplest class of predictive models, namely those that are quadratic in the parameters, which we call second-order regression models. For quadratic objectives in two dimensions, we prove that this second-order regression model exhibits progressive sharpening of the NTK eigenvalue towards a value that differs slightly from the edge of stability, which we explicitly compute. In higher dimensions, the model generically shows similar behavior, even without the specific structure of a neural network, suggesting that progressive sharpening and edge-of-stability behavior aren't unique features of neural networks, and could be a more general property of discrete learning algorithms in high-dimensional non-linear models.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

Human visual preferences are inherently multi-dimensional, encompassing aesthetics, detail fidelity, and semantic alignment. However, existing datasets provide only single, holistic annotations, resulting in severe label noise: images that excel in some dimensions but are deficient in others are simply marked as winner or loser. We theoretically demonstrate that compressing multi-dimensional preferences into binary labels generates conflicting gradient signals that misguide Diffusion Direct Preference Optimization (DPO). To address this, we propose Semi-DPO, a semi-supervised approach that treats consistent pairs as clean labeled data and conflicting ones as noisy unlabeled data. Our method starts by training on a consensus-filtered clean subset, then uses this model as an implicit classifier to generate pseudo-labels for the noisy set for iterative refinement. Experimental results demonstrate that Semi-DPO achieves state-of-the-art performance and significantly improves alignment with complex human preferences, without requiring additional human annotation or explicit reward models during training. We will release our code and models at: https://github.com/L-CodingSpace/semi-dpo

As the demand to integrate Artificial Intelligence into high-stakes environments continues to grow, explaining the reasoning behind neural-network predictions has shifted from a theoretical curiosity to a strict operational requirement. Our work is motivated by the explanations of autoregressive neural predictions on dynamic physical fields, as in weather forecasting. Gradient-based feature attribution methods are widely used to explain the predictions on such data, in particular due to their scalability to high-dimensional inputs. It is also interesting to remark that gradient-based techniques such as SmoothGrad are now standard on images to robustify the explanations using pointwise averages of the attribution maps obtained from several noised inputs. Our goal is to efficiently adapt this aggregation strategy to dynamic physical fields. To do so, our first contribution is to identify a fundamental failure mode when averaging perturbed attribution maps on dynamic physical fields: stochastic input perturbations do not induce stationary amplitude noise in attribution maps, but instead cause a geometric displacement of the attributions. Consequently, pointwise averaging blurs these spatially misaligned features. To tackle this issue, we introduce WassersteinGrad, which extracts a geometric consensus of perturbed attribution maps by computing their entropic Wasserstein barycenter. The results, obtained on regional weather data and a meteorologist-validated neural model, demonstrate promising explainability properties of WassersteinGrad over gradient-based baselines across both single-step and autoregressive forecasting settings.

We construct solutions to the two-dimensional stationary Prandtl system under a constant adverse pressure gradient exhibiting a family of distinct separation laws. More precisely, for every integer ellge1, we construct smooth initial data for which separation occurs at a finite location x=x^ast, with \[ \partial_y u(x,0) =\mathbf C_\ell(x^\ast-x)^{\ell/2}\bigl(1+o(1)\bigr), \qquad x\uparrow x^\ast, \] where mathbf C_ell>0 depends on the initial data. We determine the local asymptotic structure of the solution near separation through matched inner and outer expansions based on linearization around the ground state in von Mises variables. This description addresses Open Problem~5 posed by Oleinik and Samokhin~OleinikSamok-book-99. We also prove that the square-root separation regime, corresponding to ell=1, is dynamically stable under small admissible perturbations of the initial data in a suitable topology.

The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are fundamental in accurately setting up experiments, which can be extremely costly and complex. As high-fidelity tools, gyrokinetic simulations play a crucial role in discovering new physics, interpreting experimental results, and improving the design of next-generation devices. However, their high computational costs necessitate the use of acceleration platforms to reduce execution time. This work revolves around the TRIangular MEsh based Gyrokinetic (TRIMEG) code, which performs high-accuracy particle-in-cell plasma simulations in tokamak geometries, leveraging a novel finite element approach. The rise of graphical processing units (GPUs) constitutes an occasion to satisfy such computational needs, by offloading the most expensive portion of the code to the accelerators. The chosen approach features GPU offloading with the OpenMP API, which grants portability of the code to different architectures, namely AMD and NVIDIA. The particle pushing as well as the grid-to-particle operations have been ported to GPU platforms. Compiler limitations had to be overcome, and portions of the code were restructured to be suitable for GPU acceleration. Kernel performance was evaluated by carrying out GPU grid size exploration, as well as scalability studies. In addition, the efficiency of hybrid MPI-OpenMP offloading parallelization was assessed. The speedup of the GPU implementation was calculated by comparing it with the pure CPU version using different rationales. The Ion Temperature Gradient (ITG) mode was simulated using the GPU-accelerated version, and its correctness was verified in terms of the energy growth rate and the two-dimensional mode structures.

We identify Harmfulness Propagation Dynamics (HPD): for harmful prompts, the projection of the last-token hidden state onto a learned harm direction rises monotonically with transformer depth, whereas benign prompts remain flat or oscillatory. This cross-layer signature reflects harmful intent as a progressively resolved semantic property: surface form appears early, while pragmatic intent consolidates later, making the trajectory shape more informative than any single-layer snapshot. Moreover, LDA-based harm directions, learned per layer, remain stable across random splits (pairwise cosine similarity >0.97), supporting the projection sequence as a reproducible structured signal. Building on HPD, we introduce \herald{} (Harmful Encoding Recognition via Activation Layer Dynamics). This lightweight input moderator extracts a seven-dimensional feature record, slope, curvature, monotonicity, onset layer, and related statistics from the cross-layer projection sequence and classifies it with a 288-parameter MLP. stores one d-dimensional direction per layer (262\,KB for a 32-layer, d{=}4096 model), requires no gradient computation during training, and adds only 2.6{times}10^{-6} prefill FLOPs at inference. Across eight prompt-harmfulness benchmarks and four model families, achieves an average F1 of 89.3 on OLMo2-7B, surpassing all tested guard models on adversarial jailbreak detection (98.4 vs.\ 96.9 F1) and outperforming prior latent-based methods by 2.3-4.1 F1 points on every backbone. Per-instance trajectories provide machine-readable audit records that reveal when and how harmfulness emerges, offering an interpretability advantage over single-layer approaches.

We argue that the estimation of mutual information between high dimensional continuous random variables can be achieved by gradient descent over neural networks. We present a Mutual Information Neural Estimator (MINE) that is linearly scalable in dimensionality as well as in sample size, trainable through back-prop, and strongly consistent. We present a handful of applications on which MINE can be used to minimize or maximize mutual information. We apply MINE to improve adversarially trained generative models. We also use MINE to implement Information Bottleneck, applying it to supervised classification; our results demonstrate substantial improvement in flexibility and performance in these settings.

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

Unified anomaly detection requires modeling highly heterogeneous normal data without access to anomalous samples. While foundation models like DINOv2 provide rich token representations, leveraging these spaces for explicit density estimation remains challenging. Energy-Based Models (EBMs) offer a principled formulation, but their training in high-dimensional token spaces is unstable due to anisotropy and strong cross-dimensional correlations, which degrades finite-step Markov Chain Monte Carlo (MCMC) sampling. We identify this instability as fundamentally geometric and introduce ReFP-AD (Rectified Flow Preconditioning for Anomaly Detection), which learns a geometric reparameterization that maps high-dimensional embeddings into a well-conditioned latent space via an optimal transport (OT)-coupled rectified flow. This preconditioning enables stable persistent contrastive divergence with preconditioned Stochastic Gradient Langevin Dynamics (SGLD) in full-dimensional token spaces. Anomaly scores are then derived from the learned energy landscape using gradient norms. Under a strict unified protocol on the MVTec-AD and VisA datasets, ReFP-AD achieves 98.6%/97.9% Image/Pixel AUROC on MVTec-AD and 97.3%/99.0% on VisA, outperforming prior unified EBM baselines by up to +10.8% in Image AUROC. Ablation experiments demonstrate that geometric reparameterization is critical for finite-step MCMC and accurate anomaly localization in high-dimensional token spaces. Code is available at https://github.com/CLendering/ReFP-AD

Spiking Neural Networks (SNNs) provide a promising framework for energy-efficient and biologically grounded computation; however, scalable learning in deep recurrent architectures with sparse connectivity remains a major challenge. In this work, we propose a structured multi-layer recurrent SNN architecture composed of locally dense recurrent layers augmented with sparse small-world long-range projections to a readout population. The long-range connectivity is largely fixed, preserving routing efficiency and hardware scalability, while synaptic adaptation is performed using strictly local plasticity mechanisms. To enable supervised learning without backpropagation or surrogate gradients, we introduce a biologically motivated learning framework that combines: (i) population-based winner-take-all (WTA) teaching signals at the output layer, (ii) fixed random broadcast alignment feedback pathways, and (iii) low-dimensional modulatory neuron populations that gate synaptic updates through three-factor learning rules with eligibility traces. This design supports deep recurrent computation with sparse global communication and purely local synaptic updates. We analyze the algorithmic properties, computational complexity, and hardware feasibility of the proposed approach, and demonstrate stable learning and competitive performance on benchmark classification tasks. The results highlight the potential of structured recurrence and neuromodulatory learning to enable scalable, hardware-compatible SNN training beyond gradient-based methods.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

We introduce two complementary techniques for efficient adaptive optimization that reduce memory requirements while accelerating training of large-scale neural networks. The first technique, Subset-Norm adaptive step size, generalizes AdaGrad-Norm and AdaGrad(-Coordinate) by reducing the second moment term's memory footprint from O(d) to O(d) through step-size sharing, where d is the model size. For non-convex smooth objectives under coordinate-wise sub-gaussian gradient noise, we prove a noise-adapted high-probability convergence guarantee showing improved dimensional dependence over existing methods. Our second technique, Subspace-Momentum, reduces the momentum state's memory footprint by operating in a low-dimensional subspace while applying standard SGD in the orthogonal complement. We establish high-probability convergence rates under similar relaxed assumptions. Empirical evaluation on LLaMA models from 60M to 1B parameters demonstrates the effectiveness of our methods, where combining subset-norm with subspace-momentum achieves Adam's validation perplexity in approximately half the training tokens (6.8B vs 13.1B) while using only 20% of the Adam's optimizer-states memory footprint and requiring minimal additional hyperparameter tuning.

Does microeconomic heterogeneity help to forecast aggregate inflation in a non-stationary environment? We develop a scan test for whether one forecast outperforms another, over an interval with unknown starting point and duration. To exploit any occasional forecasting power that the scan test detects, we design an adaptive machine learning pipeline. We encode the distribution of price changes into a high-dimensional vector, which we combine with a gradient boosted trees algorithm. We then combine this micro forecast with other benchmark forecasts, using an adaptive algorithm that makes use of the micro forecast only when it performs well. We apply the pipeline to UK microdata, with four main results. First, the micro forecast outperforms a univariate benchmark, but only in the volatile period after 2020. Second, the scan test detects periods of micro outperformance, so the micro forecast enters the combined forecast. Third, the combined forecast performs comparably to the univariate benchmark before 2020 and better at every horizon after 2020. Fourth, the value of microdata for the combined forecast materializes after 2020. We conclude that microdata are valuable for forecasting aggregate inflation, but only after large shocks.

Reinforcement learning (RL) has become a key paradigm for enhancing the reasoning of large language models, yet the high dimensionality of parameter updates makes its training dynamics hard to analyze. We study reinforcement learning with verifiable rewards (RLVR) and use vector steering to identify a low-dimensional effective manifold in activation space associated with RL-induced gains. We uncover two geometric properties. (1) Effective Manifold Capacity: the capacity needed to reproduce RL gains can be very small but is not infinitely compressible; at extremely low capacity, intervention dimensionality and input-dependent expressiveness become key constraints, and this requirement varies with injection depth. (2) Control Manifold Separation: effective control directions lie mainly in the low-variance complement of the activation principal subspace. Within a task and base model, the learned geometry stays largely consistent across training configurations, and across tasks geometric alignment correlates with capability transfer. Experiments on 5 LLMs and 6 verifiable-reward tasks support these findings. We then propose Alpha-Stabler, a plug-and-play framework with a Predictor that monitors principal-subspace intrusion for early collapse warnings, and a Controller that removes the principal-subspace component of activation gradients during backpropagation while preserving the orthogonal complement. Alpha-Stabler stabilizes training for 2,000 steps and consistently improves RL gains, offering practical insights for robust post-training. Code: https://github.com/caiyuchen-ustc/On_Policy_Vector_Training

Attention mechanisms have achieved significant empirical success in multiple fields, but their underlying optimization objectives remain unclear yet. Moreover, the quadratic complexity of self-attention has become increasingly prohibitive. Although interpretability and efficiency are two mutually reinforcing pursuits, prior work typically investigates them separately. In this paper, we propose a unified optimization objective that derives inherently interpretable and efficient attention mechanisms through algorithm unrolling. Precisely, we construct a gradient step of the proposed objective with a set of forward-pass operations of our Contract-and-Broadcast Self-Attention (CBSA), which compresses input tokens towards low-dimensional structures by contracting a few representatives of them. This novel mechanism can not only scale linearly by fixing the number of representatives, but also covers the instantiations of varied attention mechanisms when using different sets of representatives. We conduct extensive experiments to demonstrate comparable performance and superior advantages over black-box attention mechanisms on visual tasks. Our work sheds light on the integration of interpretability and efficiency, as well as the unified formula of attention mechanisms.

Maximum mean discrepancy (MMD) flows suffer from high computational costs in large scale computations. In this paper, we show that MMD flows with Riesz kernels K(x,y) = - |x-y|^r, r in (0,2) have exceptional properties which allow their efficient computation. We prove that the MMD of Riesz kernels, which is also known as energy distance, coincides with the MMD of their sliced version. As a consequence, the computation of gradients of MMDs can be performed in the one-dimensional setting. Here, for r=1, a simple sorting algorithm can be applied to reduce the complexity from O(MN+N^2) to O((M+N)log(M+N)) for two measures with M and N support points. As another interesting follow-up result, the MMD of compactly supported measures can be estimated from above and below by the Wasserstein-1 distance. For the implementations we approximate the gradient of the sliced MMD by using only a finite number P of slices. We show that the resulting error has complexity O(d/P), where d is the data dimension. These results enable us to train generative models by approximating MMD gradient flows by neural networks even for image applications. We demonstrate the efficiency of our model by image generation on MNIST, FashionMNIST and CIFAR10.

Recently, evolutionary reinforcement learning has obtained much attention in various domains. Maintaining a population of actors, evolutionary reinforcement learning utilises the collected experiences to improve the behaviour policy through efficient exploration. However, the poor scalability of genetic operators limits the efficiency of optimising high-dimensional neural networks. To address this issue, this paper proposes a novel cooperative coevolutionary reinforcement learning (CoERL) algorithm. Inspired by cooperative coevolution, CoERL periodically and adaptively decomposes the policy optimisation problem into multiple subproblems and evolves a population of neural networks for each of the subproblems. Instead of using genetic operators, CoERL directly searches for partial gradients to update the policy. Updating policy with partial gradients maintains consistency between the behaviour spaces of parents and offspring across generations. The experiences collected by the population are then used to improve the entire policy, which enhances the sampling efficiency. Experiments on six benchmark locomotion tasks demonstrate that CoERL outperforms seven state-of-the-art algorithms and baselines. Ablation study verifies the unique contribution of CoERL's core ingredients.

Generative modeling of complex behaviors from labeled datasets has been a longstanding problem in decision making. Unlike language or image generation, decision making requires modeling actions - continuous-valued vectors that are multimodal in their distribution, potentially drawn from uncurated sources, where generation errors can compound in sequential prediction. A recent class of models called Behavior Transformers (BeT) addresses this by discretizing actions using k-means clustering to capture different modes. However, k-means struggles to scale for high-dimensional action spaces or long sequences, and lacks gradient information, and thus BeT suffers in modeling long-range actions. In this work, we present Vector-Quantized Behavior Transformer (VQ-BeT), a versatile model for behavior generation that handles multimodal action prediction, conditional generation, and partial observations. VQ-BeT augments BeT by tokenizing continuous actions with a hierarchical vector quantization module. Across seven environments including simulated manipulation, autonomous driving, and robotics, VQ-BeT improves on state-of-the-art models such as BeT and Diffusion Policies. Importantly, we demonstrate VQ-BeT's improved ability to capture behavior modes while accelerating inference speed 5x over Diffusion Policies. Videos and code can be found https://sjlee.cc/vq-bet

While Large Language Models (LLMs) demonstrate exceptional performance in surface-level text generation, their nature in handling complex multi-step reasoning tasks often remains one of ``statistical fitting'' rather than systematic logical deduction. Traditional Reinforcement Learning (RL) attempts to mitigate this by introducing a ``think-before-speak'' paradigm. However, applying RL directly in high-dimensional, discrete token spaces faces three inherent challenges: sample-inefficient rollouts, high gradient estimation variance, and the risk of catastrophic forgetting. To fundamentally address these structural bottlenecks, we propose DeepLatent Reasoning (DLR), a latent-space bidirectional contrastive reinforcement learning framework. This framework shifts the trial-and-error cost from expensive token-level full sequence generation to the continuous latent manifold. Specifically, we introduce a lightweight assistant model to efficiently sample K reasoning chain encodings within the latent space. These encodings are filtered via a dual reward mechanism based on correctness and formatting; only high-value latent trajectories are fed into a frozen main model for single-pass decoding. To maximize reasoning diversity while maintaining coherence, we design a contrastive learning objective to enable directed exploration within the latent space. Since the main model parameters remain frozen during optimization, this method mathematically eliminates catastrophic forgetting. Experiments demonstrate that under comparable GPU computational budgets, DLR achieves more stable training convergence, supports longer-horizon reasoning chains, and facilitates the sustainable accumulation of reasoning capabilities, providing a viable path toward reliable and scalable reinforcement learning for LLMs.

The curse-of-dimensionality taxes computational resources heavily with exponentially increasing computational cost as the dimension increases. This poses great challenges in solving high-dimensional PDEs, as Richard E. Bellman first pointed out over 60 years ago. While there has been some recent success in solving numerically partial differential equations (PDEs) in high dimensions, such computations are prohibitively expensive, and true scaling of general nonlinear PDEs to high dimensions has never been achieved. We develop a new method of scaling up physics-informed neural networks (PINNs) to solve arbitrary high-dimensional PDEs. The new method, called Stochastic Dimension Gradient Descent (SDGD), decomposes a gradient of PDEs into pieces corresponding to different dimensions and randomly samples a subset of these dimensional pieces in each iteration of training PINNs. We prove theoretically the convergence and other desired properties of the proposed method. We demonstrate in various diverse tests that the proposed method can solve many notoriously hard high-dimensional PDEs, including the Hamilton-Jacobi-Bellman (HJB) and the Schrödinger equations in tens of thousands of dimensions very fast on a single GPU using the PINNs mesh-free approach. Notably, we solve nonlinear PDEs with nontrivial, anisotropic, and inseparable solutions in 100,000 effective dimensions in 12 hours on a single GPU using SDGD with PINNs. Since SDGD is a general training methodology of PINNs, it can be applied to any current and future variants of PINNs to scale them up for arbitrary high-dimensional PDEs.

Maintaining consistency in long-term dialogues remains a fundamental challenge for LLMs, as standard retrieval mechanisms often fail to capture the temporal evolution of historical states. While memory-augmented frameworks offer a structured alternative, current systems rely on static prompting of closed-source models or suffer from ineffective training paradigms with sparse rewards. We introduce MemBuilder, a reinforcement learning framework that trains models to orchestrate multi-dimensional memory construction with attributed dense rewards. MemBuilder addresses two key challenges: (1) Sparse Trajectory-Level Rewards: we employ synthetic session-level question generation to provide dense intermediate rewards across extended trajectories; and (2) Multi-Dimensional Memory Attribution: we introduce contribution-aware gradient weighting that scales policy updates based on each component's downstream impact. Experimental results show that MemBuilder enables a 4B-parameter model to outperform state-of-the-art closed-source baselines, exhibiting strong generalization across long-term dialogue benchmarks.

Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.

Bayesian filtering approximates the true underlying behavior of a time-varying system by inverting an explicit generative model to convert noisy measurements into state estimates. This process typically requires either storage, inversion, and multiplication of large matrices or Monte Carlo estimation, neither of which are practical in high-dimensional state spaces such as the weight spaces of artificial neural networks. Here, we frame the standard Bayesian filtering problem as optimization over a time-varying objective. Instead of maintaining matrices for the filtering equations or simulating particles, we specify an optimizer that defines the Bayesian filter implicitly. In the linear-Gaussian setting, we show that every Kalman filter has an equivalent formulation using K steps of gradient descent. In the nonlinear setting, our experiments demonstrate that our framework results in filters that are effective, robust, and scalable to high-dimensional systems, comparing well against the standard toolbox of Bayesian filtering solutions. We suggest that it is easier to fine-tune an optimizer than it is to specify the correct filtering equations, making our framework an attractive option for high-dimensional filtering problems.

Large Language Models (LLMs) today are powerful problem solvers across many domains, and they continue to get stronger as they scale in model size, training set size, and training set quality, as shown by extensive research and experimentation across the industry. Training a frontier model today requires on the order of tens to hundreds of yottaflops, which is a massive investment of time, compute, and energy. Improving pretraining efficiency is therefore essential to enable the next generation of even more capable LLMs. While 8-bit floating point (FP8) training is now widely adopted, transitioning to even narrower precision, such as 4-bit floating point (FP4), could unlock additional improvements in computational speed and resource utilization. However, quantization at this level poses challenges to training stability, convergence, and implementation, notably for large-scale models trained on long token horizons. In this study, we introduce a novel approach for stable and accurate training of large language models (LLMs) using the NVFP4 format. Our method integrates Random Hadamard transforms (RHT) to bound block-level outliers, employs a two-dimensional quantization scheme for consistent representations across both the forward and backward passes, utilizes stochastic rounding for unbiased gradient estimation, and incorporates selective high-precision layers. We validate our approach by training a 12-billion-parameter model on 10 trillion tokens -- the longest publicly documented training run in 4-bit precision to date. Our results show that the model trained with our NVFP4-based pretraining technique achieves training loss and downstream task accuracies comparable to an FP8 baseline. These findings highlight that NVFP4, when combined with our training approach, represents a major step forward in narrow-precision LLM training algorithms.

We revisit a basic question in sequence modeling: is explicit self-attention actually necessary for strong performance and reasoning? We argue that standard multi-head attention is best seen as a form of tensor lifting: hidden vectors are mapped into a high-dimensional space of pairwise interactions, and learning proceeds by constraining this lifted tensor through gradient descent. This mechanism is extremely expressive but mathematically opaque, because after many layers it becomes very hard to describe the model with a small family of explicit invariants. To explore an alternative, we propose an attention-free architecture based on Grassmann flows. Instead of forming an L by L attention matrix, our Causal Grassmann layer (i) linearly reduces token states, (ii) encodes local token pairs as two-dimensional subspaces on a Grassmann manifold via Plucker coordinates, and (iii) fuses these geometric features back into the hidden states through gated mixing. Information therefore propagates by controlled deformations of low-rank subspaces over multi-scale local windows, so the core computation lives on a finite-dimensional manifold rather than in an unstructured tensor space. On the Wikitext-2 language modeling benchmark, purely Grassmann-based models with 13 to 18 million parameters achieve validation perplexities within about 10 to 15 percent of size-matched Transformers. On the SNLI natural language inference task, a Grassmann-Plucker head on top of DistilBERT slightly outperforms a Transformer head, with best validation and test accuracies of 0.8550 and 0.8538 compared to 0.8545 and 0.8511. We analyze the complexity of Grassmann mixing, show linear scaling in sequence length for fixed rank, and argue that such manifold-based designs offer a more structured route toward geometric and invariant-based interpretations of neural reasoning.

Motivated by variational inference methods, we propose a zeroth-order algorithm for solving optimization problems in the space of Gaussian probability measures. The algorithm is based on an interacting system of Gaussian particles that stochastically explore the search space and self-organize around global minima via a consensus-based optimization (CBO) mechanism. Its construction relies on the Linearized Bures-Wasserstein (LBW) space, a novel parametrization of Gaussian measures we introduce for efficient computations. LBW is inspired by linearized optimal transport and preserves key geometric features while enabling computational tractability. We establish well-posedness and study the convergence properties of the particle dynamics via a mean-field approximation. Numerical experiments on variational inference tasks demonstrate the algorithm's robustness and superior performance with respect to deterministic gradient-based method in presence of low-dimensional non log-concave targets.

Tool-using large language model (LLM) agents produce long, multi-turn trajectories, making gradient-based post-training memory-intensive. Evolution strategies (ES) enable memory-efficient full-parameter post-training without backpropagation and can eventually match the performance of gradient-based reinforcement learning (RL). However, resource-constrained settings typically offer only a few GPUs, so the high GPU-hour requirements of ES translate into prohibitively long training times. To address this, we introduce Cooperative Parameter-subspace Evolution Strategy (CoPES), a cooperative coevolutionary method that decomposes the full parameter space into lower-dimensional subspaces and searches over them cooperatively to improve optimization efficiency. We post-train a Qwen3.5-4B tool-using agent for the math task and evaluate it on five benchmarks of varying difficulty. Under the GPU-hour budget of full-parameter GRPO's best validation checkpoint, CoPES recovers 92% of GRPO's validation-accuracy gain, versus 67% for standard ES, while its theoretical GPU memory requirement is less than one-eighth that of full-parameter GRPO. It consistently outperforms standard ES and LoRA-based GRPO on all evaluated pass@k metrics across the five benchmarks. Additional experiments further show the advantage of CoPES on the question-answering task. These results demonstrate an improved trade-off between memory requirements and training time for agentic LLM post-training under resource constraints. The code is open-sourced in https://github.com/MetaronWang/CoPES

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Bilevel optimization has been recently revisited for designing and analyzing algorithms in hyperparameter tuning and meta learning tasks. However, due to its nested structure, evaluating exact gradients for high-dimensional problems is computationally challenging. One heuristic to circumvent this difficulty is to use the approximate gradient given by performing truncated back-propagation through the iterative optimization procedure that solves the lower-level problem. Although promising empirical performance has been reported, its theoretical properties are still unclear. In this paper, we analyze the properties of this family of approximate gradients and establish sufficient conditions for convergence. We validate this on several hyperparameter tuning and meta learning tasks. We find that optimization with the approximate gradient computed using few-step back-propagation often performs comparably to optimization with the exact gradient, while requiring far less memory and half the computation time.

Structural fidelity is essential to scientific methodology diagrams. To communicate research logic, these diagrams must faithfully render components, directional relations, and textual annotations. Since a single error, such as a reversed arrow or an unreadable equation, can invalidate the entire figure, structural fidelity is inherently conjunctive: correctness on one axis cannot compensate for failure on another. Current open-source models fail to satisfy this criterion. Supervised fine-tuning (SFT) learns plausible layouts but cannot reliably ensure structural correctness, while scalar reward-based post-training obscures which structural dimension has failed. To address this, we introduce SciForma, a framework for the structure faithful generation of scientific methodology diagrams. Specifically, SciForma decomposes diagram quality into three structural axes: Component, Arrow, and Text, guided by a structural inventory. Built on this foundation, we curate SciFormaData-700K for structured training and SciFormaBench-2K for logic-verified evaluation. To close the gap left by SFT, we develop Multi-Dimensional Conjunctive Preference Optimization (M-DPO), which enforces simultaneous correctness across all axes and adaptively routes gradients to the most deficient dimension in post-training. The same structural inventory also enables iterative editing at inference time to correct residual errors. This combination allows SciForma-9B to exceed all open-source baselines and GPT-Image-1.5 on both SciFormaBench-2K and AIBench, bringing open scientific diagram generation close to proprietary-level structural fidelity. Our code and data will be available at: https://github.com/microsoft/SciForma.

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.

The complexity of legal language and limited accessibility to legal information pose significant challenges to justice delivery in Nepal. Traditional legal services remain inaccessible to many citizens due to language barriers, information fragmentation, and a critical shortage of legal expertise, particularly in rural areas. We present NepLEGiT (Nepali Legal Expertise through Generative and Extractive Pre-trained Transformers), a specialized small language model (SLM) designed to democratize legal knowledge and enhance legal-service delivery in Nepal. We pre-train a decoder-based GPT-2 SLM from scratch on a curated corpus of ~4 million tokens of Nepali legal text, covering constitutional law, civil and criminal codes, and administrative regulations. The model comprises ~30 million parameters in a 6-layer, 6-head, 384-dimensional transformer trained with warmup cosine-decay scheduling, gradient accumulation, and mixed-precision arithmetic. On a held-out validation split, NepLEGiT attains a cross-entropy loss of 0.5684, a perplexity of 1.8, and a next-token prediction accuracy of 82.9%. We further evaluate continual masked-language-model pre-training of mBERT and MuRIL on the same corpus; mBERT achieves a perplexity of 2.35 (eval loss 0.8565), outperforming MuRIL (perplexity 6.07, eval loss 1.8026), providing a strong encoder baseline complementary to NepLEGiT's generative orientation.

Aligning multimodal generative models with human preferences demands reward signals that respect the compositional, multi-dimensional structure of human judgment. Prevailing RLHF approaches reduce this structure to scalar or pairwise labels, collapsing nuanced preferences into opaque parametric proxies and exposing vulnerabilities to reward hacking. While recent Rubrics-as-Reward (RaR) methods attempt to recover this structure through explicit criteria, generating rubrics that are simultaneously reliable, scalable, and data-efficient remains an open problem. We introduce Auto-Rubric as Reward (ARR), a framework that reframes reward modeling from implicit weight optimization to explicit, criteria-based decomposition. Before any pairwise comparison, ARR externalizes a VLM's internalized preference knowledge as prompt-specific rubrics, translating holistic intent into independently verifiable quality dimensions. This conversion of implicit preference structure into inspectable, interpretable constraints substantially suppresses evaluation biases including positional bias, enabling both zero-shot deployment and few-shot conditioning on minimal supervision. To extend these gains into generative training, we propose Rubric Policy Optimization (RPO), which distills ARR's structured multi-dimensional evaluation into a robust binary reward, replacing opaque scalar regression with rubric-conditioned preference decisions that stabilize policy gradients. On text-to-image generation and image editing benchmarks, ARR-RPO outperforms pairwise reward models and VLM judges, demonstrating that explicitly externalizing implicit preference knowledge into structured rubrics achieves more reliable, data-efficient multimodal alignment, revealing that the bottleneck is the absence of a factorized interface, not a deficit of knowledge.

Zeroth-order (ZO) optimization enables fine-tuning large language models when backpropagation is unavailable or memory-prohibitive, but existing methods often perturb full model weights or randomly constructed low-dimensional subspaces, yielding high-variance estimates and limited performance. We propose ZO-Act, an activation-informed ZO fine-tuning method that restricts perturbations to a fixed low-rank subspace derived from input activations. For each linear layer, ZO-Act computes a small activation basis once at initialization and optimizes only lightweight coefficient matrices using forward-only loss evaluations. This reduces the effective perturbation dimension, exposes explicit trainable variables compatible with momentum-based optimizers such as Adam, and naturally supports quantized LLM fine-tuning by keeping low-bit weights frozen. We analyze ZO-Act as zeroth-order optimization over a restricted coefficient space and show that perturbing the low-dimensional coefficients reduces both the variance-dependent convergence term and the finite-difference error of the ZO estimator, at the cost of a controlled subspace approximation bias that is mitigated by the low-rank structure of LLM activations and gradients. Experiments on Llama-3-8B, OPT-13B, and INT4 Llama-3-8B show consistent gains over strong ZO fine-tuning baselines across language understanding, question answering, and commonsense reasoning.

Large language model agents increasingly solve long-horizon tasks through multi-agent harnesses in which a central agent coordinates specialized sub-agents, tools, and environments. Training the central policy in such a harness raises two challenges. First, an action label is a low-cardinality decision, whereas its args form a high-dimensional conditional sequence; optimizing both with a shared sequence-level signal can produce conflicting gradients. Second, dynamic scheduling creates interdependent sessions with branches, parallel calls, and rewritten contexts, which cannot be faithfully reduced to one flat token sequence. We introduce Harness-RL, a structured reinforcement learning framework that combines Conflict-Aware Policy Optimization (CAPO) with interface-level black-box trajectory construction. The black-box component captures Interface Call Records, builds per-session prefix trees, and aligns outcome and process rewards with trainable tokens. CAPO uses forward activations to identify parameter partitions associated with action and args tokens, then routes their policy gradients to the corresponding subspaces. Harness-RL supports both central-only and joint multi-agent training. Across seven multi-hop question answering and agentic retrieval benchmarks, it reaches average F1 scores of 42.93 and 47.79 with Qwen2.5-1.5B and Qwen2.5-3B, respectively, while ablations validate the contribution of CAPO and favor central-only optimization in the evaluated setting. Our code is available at https://github.com/jiangxinke/Harness-RL.

In this work, we aim to teach robots to manipulate various thin-shell materials. Prior works studying thin-shell object manipulation mostly rely on heuristic policies or learn policies from real-world video demonstrations, and only focus on limited material types and tasks (e.g., cloth unfolding). However, these approaches face significant challenges when extended to a wider variety of thin-shell materials and a diverse range of tasks. While virtual simulations are shown to be effective in diverse robot skill learning and evaluation, prior thin-shell simulation environments only support a subset of thin-shell materials, which also limits their supported range of tasks. We introduce ThinShellLab - a fully differentiable simulation platform tailored for robotic interactions with diverse thin-shell materials possessing varying material properties, enabling flexible thin-shell manipulation skill learning and evaluation. Our experiments suggest that manipulating thin-shell objects presents several unique challenges: 1) thin-shell manipulation relies heavily on frictional forces due to the objects' co-dimensional nature, 2) the materials being manipulated are highly sensitive to minimal variations in interaction actions, and 3) the constant and frequent alteration in contact pairs makes trajectory optimization methods susceptible to local optima, and neither standard reinforcement learning algorithms nor trajectory optimization methods (either gradient-based or gradient-free) are able to solve the tasks alone. To overcome these challenges, we present an optimization scheme that couples sampling-based trajectory optimization and gradient-based optimization, boosting both learning efficiency and converged performance across various proposed tasks. In addition, the differentiable nature of our platform facilitates a smooth sim-to-real transition.

The integration of large language models (LLMs) into medical practice holds transformative potential, yet their real-world clinical utility remains limited by critical alignment challenges: (1) a disconnect between static evaluation benchmarks and dynamic clinical cognitive needs, (2) difficulties in adapting to evolving, multi-source medical standards, and (3) the inability of conventional reward models to capture nuanced, multi-dimensional medical quality criteria. To address these gaps, we propose MR-RML (Multidimensional Rubric-oriented Reward Model Learning) via GPRC (Geometric Projection Reference Constraints), a novel alignment framework that integrates medical standards into a structured "Dimensions-Scenarios-Disciplines" matrix to guide data generation and model optimization. MR-RML introduces three core innovations: (1) a "Dimensions-Scenarios-Disciplines" medical standard system that embeds domain standards into the full training pipeline; (2) an independent multi-dimensional reward model that decomposes evaluation criteria, shifting from real-time rubric-based scoring to internalized reward modeling for improved consistency and cost-efficiency; (3) geometric projection reference constraints that transform medical cognitive logic into mathematical regularization, aligning scoring gradients with clinical reasoning and enabling synthetic data-driven training. Through extensive evaluations on the authoritative medical benchmark Healthbench, our method yields substantial performance gains over the base LLM Qwen-32B (45% on the full subset and 85% on Hard subset, respectively). It achieves a SOTA among open-source LLMs with scores of 62.7 (full subset) and 44.7 (hard subset), while also outperforming the majority of closed-source models.

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient computation, such as locking and memorization requirements. The cost is the requirement to guess the step direction, which is hard in high dimensions. While current solutions rely on weighted averages over isotropic guess vector distributions, we propose to strongly bias our gradient guesses in directions that are much more promising, such as feedback obtained from small, local auxiliary networks. For a standard computer vision neural network, we conduct a rigorous study systematically covering a variety of combinations of gradient targets and gradient guesses, including those previously presented in the literature. We find that using gradients obtained from a local loss as a candidate direction drastically improves on random noise in Forward Gradient methods.

We show that in a variety of large-scale deep learning scenarios the gradient dynamically converges to a very small subspace after a short period of training. The subspace is spanned by a few top eigenvectors of the Hessian (equal to the number of classes in the dataset), and is mostly preserved over long periods of training. A simple argument then suggests that gradient descent may happen mostly in this subspace. We give an example of this effect in a solvable model of classification, and we comment on possible implications for optimization and learning.

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.

Drawing motivation from the manifold hypothesis, which posits that most high-dimensional data lies on or near low-dimensional manifolds, we apply manifold learning to the space of neural networks. We learn manifolds where datapoints are neural networks by introducing a distance between the hidden layer representations of the neural networks. These distances are then fed to the non-linear dimensionality reduction algorithm PHATE to create a manifold of neural networks. We characterize this manifold using features of the representation, including class separation, hierarchical cluster structure, spectral entropy, and topological structure. Our analysis reveals that high-performing networks cluster together in the manifold, displaying consistent embedding patterns across all these features. Finally, we demonstrate the utility of this approach for guiding hyperparameter optimization and neural architecture search by sampling from the manifold.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

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

Recent advances in diffusion and flow matching models have highlighted a shift in the preferred prediction target -- moving from noise (varepsilon) and velocity (v) to direct data (x) prediction -- particularly in high-dimensional settings. However, a formal explanation of why the optimal target depends on the specific properties of the data remains elusive. In this work, we provide a theoretical framework based on a generalized prediction formulation that accommodates arbitrary output targets, of which varepsilon-, v-, and x-prediction are special cases. We derive the analytical relationship between data's geometry and the optimal prediction target, offering a rigorous justification for why x-prediction becomes superior when the ambient dimension significantly exceeds the data's intrinsic dimension. Furthermore, while our theory identifies dimensionality as the governing factor for the optimal prediction target, the intrinsic dimension of manifold-bound data is typically intractable to estimate in practice. To bridge this gap, we propose k-Diff, a framework that employs a data-driven approach to learn the optimal prediction parameter k directly from data, bypassing the need for explicit dimension estimation. Extensive experiments in both latent-space and pixel-space image generation demonstrate that k-Diff consistently outperforms fixed-target baselines across varying architectures and data scales, providing a principled and automated approach to enhancing generative performance.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

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.

We study a version of adversarial classification where an adversary is empowered to corrupt data inputs up to some distance varepsilon, using tools from variational analysis. In particular, we describe necessary conditions associated with the optimal classifier subject to such an adversary. Using the necessary conditions, we derive a geometric evolution equation which can be used to track the change in classification boundaries as varepsilon varies. This evolution equation may be described as an uncoupled system of differential equations in one dimension, or as a mean curvature type equation in higher dimension. In one dimension, and under mild assumptions on the data distribution, we rigorously prove that one can use the initial value problem starting from varepsilon=0, which is simply the Bayes classifier, in order to solve for the global minimizer of the adversarial problem for small values of varepsilon. In higher dimensions we provide a similar result, albeit conditional to the existence of regular solutions of the initial value problem. In the process of proving our main results we obtain a result of independent interest connecting the original adversarial problem with an optimal transport problem under no assumptions on whether classes are balanced or not. Numerical examples illustrating these ideas are also presented.

Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean space, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.

Dimensionality reduction is crucial both for visualization and preprocessing high dimensional data for machine learning. We introduce a novel method based on a hierarchy built on 1-nearest neighbor graphs in the original space which is used to preserve the grouping properties of the data distribution on multiple levels. The core of the proposal is an optimization-free projection that is competitive with the latest versions of t-SNE and UMAP in performance and visualization quality while being an order of magnitude faster in run-time. Furthermore, its interpretable mechanics, the ability to project new data, and the natural separation of data clusters in visualizations make it a general purpose unsupervised dimension reduction technique. In the paper, we argue about the soundness of the proposed method and evaluate it on a diverse collection of datasets with sizes varying from 1K to 11M samples and dimensions from 28 to 16K. We perform comparisons with other state-of-the-art methods on multiple metrics and target dimensions highlighting its efficiency and performance. Code is available at https://github.com/koulakis/h-nne

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

We design a physics-aware auto-encoder to specifically reduce the dimensionality of solutions arising from convection-dominated nonlinear physical systems. Although existing nonlinear manifold learning methods seem to be compelling tools to reduce the dimensionality of data characterized by a large Kolmogorov n-width, they typically lack a straightforward mapping from the latent space to the high-dimensional physical space. Moreover, the realized latent variables are often hard to interpret. Therefore, many of these methods are often dismissed in the reduced order modeling of dynamical systems governed by the partial differential equations (PDEs). Accordingly, we propose an auto-encoder type nonlinear dimensionality reduction algorithm. The unsupervised learning problem trains a diffeomorphic spatio-temporal grid, that registers the output sequence of the PDEs on a non-uniform parameter/time-varying grid, such that the Kolmogorov n-width of the mapped data on the learned grid is minimized. We demonstrate the efficacy and interpretability of our approach to separate convection/advection from diffusion/scaling on various manufactured and physical systems.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

In this paper, we propose a general deep learning training framework XGrad which introduces weight prediction into the popular gradient-based optimizers to boost their convergence and generalization when training the deep neural network (DNN) models. In particular, ahead of each mini-batch training, the future weights are predicted according to the update rule of the used optimizer and are then applied to both the forward pass and backward propagation. In this way, during the whole training period, the optimizer always utilizes the gradients w.r.t. the future weights to update the DNN parameters, making the gradient-based optimizer achieve better convergence and generalization compared to the original optimizer without weight prediction. XGrad is rather straightforward to implement yet pretty effective in boosting the convergence of gradient-based optimizers and the accuracy of DNN models. Empirical results concerning the most three popular gradient-based optimizers including SGD with momentum, Adam, and AdamW demonstrate the effectiveness of our proposal. The experimental results validate that XGrad can attain higher model accuracy than the original optimizers when training the DNN models. The code of XGrad will be available at: https://github.com/guanleics/XGrad.

The manifold hypothesis posits that high-dimensional data often lies on a lower-dimensional manifold and that utilizing this manifold as the target space yields more efficient representations. While numerous traditional manifold-based techniques exist for dimensionality reduction, their application in self-supervised learning has witnessed slow progress. The recent MSimCLR method combines manifold encoding with SimCLR but requires extremely low target encoding dimensions to outperform SimCLR, limiting its applicability. This paper introduces a novel learning paradigm using an unbalanced atlas (UA), capable of surpassing state-of-the-art self-supervised learning approaches. We investigated and engineered the DeepInfomax with an unbalanced atlas (DIM-UA) method by adapting the Spatiotemporal DeepInfomax (ST-DIM) framework to align with our proposed UA paradigm. The efficacy of DIM-UA is demonstrated through training and evaluation on the Atari Annotated RAM Interface (AtariARI) benchmark, a modified version of the Atari 2600 framework that produces annotated image samples for representation learning. The UA paradigm improves existing algorithms significantly as the number of target encoding dimensions grows. For instance, the mean F1 score averaged over categories of DIM-UA is ~75% compared to ~70% of ST-DIM when using 16384 hidden units.

A growing literature in computational neuroscience leverages gradient descent and learning algorithms that approximate it to study synaptic plasticity in the brain. However, the vast majority of this work ignores a critical underlying assumption: the choice of distance for synaptic changes - i.e. the geometry of synaptic plasticity. Gradient descent assumes that the distance is Euclidean, but many other distances are possible, and there is no reason that biology necessarily uses Euclidean geometry. Here, using the theoretical tools provided by mirror descent, we show that the distribution of synaptic weights will depend on the geometry of synaptic plasticity. We use these results to show that experimentally-observed log-normal weight distributions found in several brain areas are not consistent with standard gradient descent (i.e. a Euclidean geometry), but rather with non-Euclidean distances. Finally, we show that it should be possible to experimentally test for different synaptic geometries by comparing synaptic weight distributions before and after learning. Overall, our work shows that the current paradigm in theoretical work on synaptic plasticity that assumes Euclidean synaptic geometry may be misguided and that it should be possible to experimentally determine the true geometry of synaptic plasticity in the brain.