Wasserstein Gradient Flows

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Period ending 2026-09-21

4 new papers

A weekly snapshot of new work published in Wasserstein Gradient Flows.

Period ending 2026-09-07

3 new papers

A weekly snapshot of new work published in Wasserstein Gradient Flows.

54 papers

Latest in Wasserstein Gradient Flows

Sep 16, 2026cs.LG

A GAN-Based Framework for Robust DDoS Attack Detection

The availability and consistency of online services remain vulnerable due to Distributed Denial of Service (DDoS) attacks. These attacks are evolving by adopting more complex strategies to evade traditional network security systems. Despite the effectiveness of machine learning models in detecting DDoS traffic, targeted adversarial attacks can degrade their classification accuracy. This work proposes a robust detection framework that integrates generative adversarial modelling with advanced machine learning models. We trained Random Forests, Deep Neural Ensembles, and Transformer-based models using the CICDDoS2019 dataset to establish the frameworks baseline performance. To enhance the models defensive capacity, we generated synthetic adversarial flows that simulate potential evasion attempts and adversarial traffic using a Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP). Then, we combined the generated traffic with benign and malicious traffic to construct hybrid datasets to train the models to learn more generalizable decision boundaries. The experimental results indicate that the proposed methodology significantly enhances detection accuracy and resilience, especially against unseen adversarial traffic. We also tested the designed framework using real-world generated traffic, which demonstrates its capability in practical settings. The scalable and efficient solution against adversarial DDoS attacks, introduced in this work, paves the way towards more resilient and adaptive network defense systems that combine generative adversarial augmentation with recent advances in learning models.
Makram Chehayeb, Walid Fahs, Amina Rizk +2
Sep 16, 2026stat.ML

Preservation of Log-Concavity and Convergence of Wasserstein-Fisher-Rao Gradient Flows

We study the convergence of Wasserstein-Fisher-Rao (WFR) gradient flows for sampling from probability distributions known up to a normalisation constant. By combining Wasserstein transport with Fisher-Rao birth-death dynamics, WFR flows balance exploration and selection. These flows have been recognised as a promising mechanism to accelerate convergence beyond Langevin dynamics. We show that for a class of strongly log-concave target distributions satisfying additional curvature conditions, WFR flows preserve strong log-concavity, in contrast to Wasserstein flows which enjoy this property only in the Gaussian setting. Exploiting this result, we derive explicit non-asymptotic convergence rates for the symmetrised Kullback-Leibler divergence, without requiring a warm-start as required in current estimates. In particular, we show that the convergence rate decomposes additively into Wasserstein and Fisher-Rao contributions, thereby confirming a recent conjecture within this setting. These results provide refined convergence guarantees and further develop the theoretical foundations of WFR gradient flows for sampling and Bayesian inference.
Francesca Romana Crucinio, Sahani Pathiraja
Sep 15, 2026cs.LG

Online Gradient Computation for Warping Gaussian Process Transformations

Warped Gaussian processes (GPs) handle non-Gaussian observations by mapping them into a latent standard GP via a parametric transformation called warping. Existing streaming variants, however, either optimize the warping parameters periodically or sacrifice analytical tractability for a higher model capacity. To bridge this gap, we show that the gradient of the instantaneous negative log-likelihood of a warped GP admits an exact recursive computation. Based on this result, we propose a novel online method for warped GPs that jointly updates the latent GP moments and optimizes the warping parameters.
Emilio Ruiz-Moreno, Konstantinos Slavakis, Baltasar Beferull-Lozano
Sep 14, 2026cs.LG

How I learned to stop worrying and love StopGrads: Stationarity, Convergence, and a case study on Flow Map Learning

Stopgrads are widely used in training machine learning models, but stopgrads can alter the gradient, stationary points and convergence guarantees of the original objective, which can make stopgrad training theoretically ungrounded. We introduce a stopgrad regression principle, which identifies a general template for stopgrad objectives with a closed-form characterization of stationary points and their uniqueness, unifying stopgrad objectives for flow maps, reinforcement learning, and diffusion samplers. We provide theoretical grounding for optimizing stopgrad flow map objectives by showing their unique stationary point is the true flow map, and showing positive convergence results for Eulerian and Lagrangian objectives, including MeanFlow and improved MeanFlow. Remarkably, we show that under functional semi-gradient flow, the learned flow map has a closed-form expression composing the initial flow map and the true flow map. We additionally use our stopgrad regression principle to propose modified stopgrad placements for flow map objectives which reduce training memory by 2x.
Max W. Shen, Mark Goldstein, Zichu Wang +2
Sep 3, 2026math.NA

Learning Informative Prior with Infinite-Dimensional Continuous Normalizing Flow for Bayesian Inverse Problem

This paper addresses infinite-dimensional Bayesian inference for inverse problem of partial differential equations with model parameters in infinite-dimensional Hilbert space. To effectively incorporate prior information, we propose a novel continuous normalizing flows based infinite-dimensional model. Specifically, by introducing a well-defined neural ordinary differential equation in infinite-dimensional space, a simple reference measure can be transformed into a more complex measure which encodes the prior information. A corresponding theoretical framework is established to ensure the well-posedness of our proposed Bayesian prior in infinite-dimensional space. We also provide training methods of the prior for two distinct data settings, along with two sampling algorithms for the resulting Bayesian posterior. The proposed framework is applied to three representative inverse problems: the simple smooth inverse problem, inverse scattering problem, and the inverse heat conduction problem. Numerical experiments support the theoretical analysis and demonstrate the efficiency of the proposed algorithms.
Yang Zhao, Junxiong Jia, Tao Zhou
Sep 1, 2026stat.ML

On the Reliability of Generative Augmentation: A Wasserstein-Based Theoretical and Empirical Study

Generative data augmentation is widely used to mitigate class imbalance, yet its theoretical effect on downstream generalization remains poorly understood. In this work, we develop a statistical framework for conditional generative augmentation and analyze its impact on classification risk. We formalize augmentation as a distribution-mixing process and show that the resulting risk distortion is controlled by both the augmentation strength and the class-conditional Wasserstein discrepancy between real and generated distributions. We further derive a capacity-dependent generalization bound based on Rademacher complexity, revealing an explicit trade-off between hypothesis complexity, augmentation intensity, and generative fidelity. Empirically, we evaluate the framework on binary and multiclass imbalanced classification tasks using Conditional GAN and Conditional WGAN-GP augmentation. Across datasets, CWGAN-GP consistently achieves lower Wasserstein discrepancies than CGAN, indicating improved distributional fidelity. However, improved fidelity does not necessarily translate into superior classification performance, with classical oversampling methods often remaining competitive. These findings support the central theoretical prediction that augmentation reliability is governed by distributional approximation error rather than predictive performance alone. Overall, this work establishes generative augmentation as a distributional perturbation process whose reliability can be quantified through Wasserstein-based measures and supported by finite-sample generalization guarantees. The proposed framework provides a principled foundation for evaluating synthetic data quality beyond classification accuracy alone.
Chathurika S Abeykoon, Mathias Nthiani Muia, Mallory Goldstein
Aug 31, 2026cs.LG

Reciprocity Separates Gradient Flow from Rotation in Conservative Physical Learning

Physical learning lets a trainable material or network use its own physical response to carry error signals, reducing the need for a separately programmed backward computation. We ask what determines whether such a system follows conventional gradient descent or evolves along a genuinely different learning trajectory. Our canonical model is a directed layered transport network in which every node redistributes a fixed amount of flow, so learning preserves positivity and total mass. In this model, conservation constrains only the allowable learning directions. Within the matched response class studied here, adjoint matching gives the physical output response a symmetric form. Non-negative mode-wise feedback then produces a reciprocal closed-loop response and a reweighted gradient flow. Adding an antisymmetric boundary component makes the closed-loop response rotational: the learning path can turn while the error driving that update still decreases at that moment. Turning is not automatically beneficial. Its finite-step effect is set by local curvature, and its accumulated effect also depends on step selection and on the new states visited along the path. Numerical consistency checks reproduce the exact response structure, predict the sign of the local effect across new network families, and show how trajectory drift can negate a local advantage. These results separate the roles of conservation, reciprocity, and nonreciprocity in physical learning.
Ruiwu Niu, Xiaowen Bi, Michaël Antonie van Wyk
Aug 31, 2026stat.ML

Estimating Population-Risk Curves Along Nonconvex Gradient Flows from the Training Sample

We estimate the conditional population-risk curve of a realized smooth nonconvex gradient flow from the training sample. Flow approximate leave-one-out (Flow-ALO) propagates a deletion response and evaluates omitted observations at approximate deleted paths. The risk-curve error decomposes into response approximation, exact-LOO fluctuation, and deletion-to-full risk transfer. On each fixed finite horizon, bounded centered training-loss gradients, a one-sided Hessian lower bound, locally Lipschitz Hessians, and a strict tube-closure condition yield an explicit (n1)2(n-1)^{-2} bound for the deletion-response error. Bounded evaluation-loss gradients transfer the deletion-response bound to the score without requiring the Hessian to be invertible. Direct first-order jackknife cancellation and exact-LOO concentration control deletion-to-full risk transfer and fluctuation, respectively, completing recovery of the conditional population-risk curve. For bounded smooth two-layer mean-field networks training both layers, the score-error bound is uniform in width.
Mingzhi Song
Aug 30, 2026cs.LG

Reward-guided Fine-Tuning of One-Step Generative Models via Wasserstein Gradient Flow

To mitigate the time complexity of generative models, one-step generative models have recently emerged through direct mapping from noise to data in a single forward pass. However, the reward-guided fine-tuning method of one-step generative models remains largely unexplored. To address this, we consider one-step generators from an optimal transport view, investigating Wasserstein Gradient Flow (WGF) for modeling smooth and controlled distributional evolution in probability space. We then propose a novel reward-guided fine-tuning of a one-step generative model via WGF. We derive a practical training method that requires no reward gradients, thereby handling both non-differentiable and differentiable rewards. Moreover, our method provides smooth and stable reward-guided distributional updates while mitigating reward hacking and mode collapse. Experiments on 2D synthetic data, CIFAR-10, and ImageNet 256×\times256 with diverse rewards, including JPEG (in)compressibility, class probability, Black-and-White and CLIP alignment, show that our method achieves better reward alignment compared to baselines.
Hoseong Hwang, Woorim Han, Joungin Chun +2
Aug 12, 2026stat.ML

Fine-Tuning Generative Models for Extreme Events via CVaR-Penalized Wasserstein Gradient Flows

We propose CVaR-penalized Generative Particle Algorithm (CVaR-GPA), a robust, tail-agnostic algorithm for fine-tuning generative models to learn heavy-tailed distributions and capture extreme events, requiring no prior knowledge or estimation of the target's tail characteristics. The method is the Wasserstein gradient flow of the Lipschitz-regularized Kullback-Leibler (KL) divergence penalized by a Conditional Value-at-Risk (CVaR) discrepancy term: the Lipschitz-regularized KL divergence enables robust learning under minimal assumptions on the target distribution, while the CVaR penalty restores the velocity that otherwise vanishes prematurely in the under-sampled tails. The penalized flow admits a bounded but non-Lipschitz velocity field. This departs from the Lipschitz transport maps of standard generators, which preserve the tail behavior of a light-tailed source, and enables transport toward heavier-tailed targets. To define this flow on empirical measures, we derive the first-variation subgradients of CVaR from its Rockafellar-Uryasev representation, valid precisely where the classical density-based formula fails. The particle algorithm CVaR-GPA fine-tunes the output samples of any pre-trained model, without access to its architecture, and runs on an adaptive time horizon set by a kinetic-energy stopping criterion rather than a preset depth. On synthetic isotropic and anisotropic Student-tt target distributions, Neal's funnel distribution, and the real-world high-dimensional Fama-French 25 portfolio dataset, CVaR-GPA dramatically improves global and tail accuracy on heavy-tailed targets over the pre-trained baseline.
Thejani Gamage, Hyemin Gu, Zhizhen Zhang +3
Jul 28, 2026cs.AI

Quotient Dynamics, Effective Curvature, and Implicit Bias in Positive Quadratic Networks

Positive quadratic networks admit the low-rank representation f_U(x)=x^top UU^top x, where Uinmathbb{R}^{dtimes r} is identifiable only up to right orthogonal multiplication, representing a rank-r PSD matrix Q=UU^top. We study how this quotient structure governs training dynamics, curvature, recovery, and interpolation bias. On the full-column-rank stratum, we identify mathbb{R}^{dtimes r}_*/O(r) with the rank-r PSD manifold. For smooth objectives L(U)=ell(UU^top), the Euclidean factor gradient is horizontal. Thus, factor gradient flow projects exactly to quotient Riemannian gradient flow, while finite-step gradient descent induces an exact congruence recursion for the predictor. For quadratic regression, we derive the effective Hessian at interpolators as the empirical measurement Gram form restricted to the tangent space relative to the quotient metric. Under Gaussian rank-one measurements, we compute population curvature, prove uniform deviation bounds for the empirical normal operator, construct a spectral initializer, and establish local exponential convergence for gradient flow and linear convergence for small-step descent. Recovery guarantees are explicit but conservative due to reliance on full-space second-moment control. In underdetermined commuting regimes, factor gradient flow becomes an exact entropy mirror flow in joint spectral coordinates. Strictly positive initializations converge to Bregman projections onto the interpolation set. With isotropic initialization q(0)=varepsilon^2mathbf{1}, predictors approach the minimum-trace solution set as varepsilondownarrow0, resolving nonuniqueness via weighted entropy within the invariant joint spectral algebra. Finite-step descent selects interpolants differing from continuous-time Bregman projections by O(eta). Numerical experiments verify these quotient identities, curvature predictions, recovery behaviors, and selection laws.
Pengcheng Cheng
Jul 15, 2026eess.IV

TCAM-Diff: Triplane-Aware Cross-Attention Medical Diffusion Model

We introduce TCAM-Diff, a novel 3D medical image generation model that reduces the memory requirements to encode and generate high-resolution 3D data. This model utilizes a decoder-only autoencoder method to learn triplane representation from dense volume and leverages generalization operations to prevent overfitting. Subsequently, it uses a triplane-aware cross-attention diffusion model to learn and integrate these features effectively. Furthermore, the features generated by the diffusion model can be rapidly transformed into 3D volumes using a pre-trained decoder module. Our experiments on three different scales of medical datasets, BrainTumour 128 x 128 x 128, Pancreas 256 x 256 x 256, and Colon 512 x 512 x 512, demonstrate outstanding results. We utilized MSE and SSIM to assess reconstruction quality and leveraged the Wasserstein Generative Adversarial Network (W-GAN) critic to assess generative quality. Comparisons with existing approaches show that our method gives better reconstruction and generation results than other encoder-decoder methods with similar-sized latent spaces.
Zhenkai Zhang, Krista A. Ehinger, Tom Drummond
Jul 6, 2026cs.LG

The Map Behind the Flow: Finite-Step Gradient Descent as a Dynamical System

Many phenomena of deep learning are dynamical: they concern not only which minima exist, but how gradient descent reaches, avoids, or selects among them. Edge-of-stability behavior, sharpness oscillations, catapult phases, balancing, and movement toward flatter representations are effects of the training map itself, and are poorly captured by the small-step gradient-flow limit. This paper studies fixed-step gradient descent as a discrete dynamical system in a hierarchy of exactly solvable models retaining basic structures of deep learning: depth, factorization, width, data coupling, activation, and stochasticity. The starting point is the balanced scalar reduction of a deep linear chain, giving a quartic loss and a cubic gradient map whose post-edge behavior is explicit. Under the natural large-depth scaling, this dynamics converges to a universal Ricker-type map. The edge of stability is therefore not a breakdown of optimization, but the first bifurcation of the training map. Embedding the scalar dynamics back into factored models turns these regimes into learning phenomena. Finite steps break conservation laws of gradient flow and contract factorization imbalance; residual oscillations move parameters toward flatter, more balanced representations. Wider linear networks produce a ladder of spectral edges, so the optimal learning rate can lie beyond the first edge. Data coupling, nonlinear activations, and stochastic targets preserve the same organizing principle: finite-step oscillations drive alignment, balancing, and representation selection. Thus the learning rate is not merely a numerical stability parameter. It is a structural parameter of the training dynamics, determining its attractors and shaping the representations gradient descent selects.
Thomas Hofmann
Jul 6, 2026stat.ML

Wasserstein Residuals: Learning Gradient Flows from Population Dynamics

Reconstructing population dynamics is a central problem in the physical and data sciences. Often, the dynamics are modeled as a Wasserstein gradient flow (WGF): a curve of distributions driven by an energy functional. Though there are multiple mathematical characterizations of a WGF, the dominant algorithmic approach relies on the Jordan--Kinderlehrer--Otto (JKO) scheme. JKO-based methods are inflexible to time discretisation and require solving costly optimal transport problems. We take a residual approach, enforcing the continuity equations via a non-negative loss function whose minimum is the WGF. Combined with a data-fitting divergence, this gives a single global objective. This perspective unifies several existing methods and leads to a new particle-based method, stitching, that is simulation-free and robust to large gaps between observations. We demonstrate that the stitching method achieves state-of-the-art performance across trajectory inference benchmarks. For code see github.com/BasisResearch/wasserstein-residuals.
Markus Heinonen, Yair Shenfeld, Ricardo Baptista +4
Jun 23, 2026cs.AI

The Geometry Behind Diffusion and Flow Matching: Gradient Flows and Geodesics in Wasserstein Space

The space P2(Rd\mathcal{P}_2(\mathbb{R}^d) of probability measures with finite second moment carries a natural geometry: the quadratic Wasserstein distance W_2 makes it a complete metric space and, following Otto, a (formal) Riemannian manifold whose geodesics are the optimal-transport interpolations. On this manifold, the gradient flow of the free energy F(rho) = KL(rho || π) is exactly the Fokker-Planck equation, and its implicit-Euler discretization is the JKO scheme. This is the geometry underlying diffusion models: the forward process descends the free energy, and each denoising step realizes one JKO step, which recovers DDPM, DDIM, NCSN/SMLD, and Energy Matching; this is one scheme, not separate theories. The same manifold supports a second variational principle. Its geodesics - the minimum-action curves of the Benamou-Brenier formula - are precisely the optimal-transport paths that Flow Matching learns. Fixing both endpoints and following the geodesic, generation becomes a deterministic ODE along a straight line, hence far fewer sampling steps. Placing both families of models on one manifold makes their relationship exact: diffusion follows a free-energy gradient flow, an initial-value problem; optimal-transport Flow Matching follows a Wasserstein geodesic, a boundary-value problem. The two reach the same endpoints along different paths.
Yian Yao, Weiwei Zhang
Jun 21, 2026cs.LG

Generative Robust Optimisation

Classical uncertainty sets for robust optimisation impose fixed geometric shapes that cannot represent the complex dependencies present in real-world data. We propose Generative Robust Optimisation (GRO), a framework in which a deep generative model defines the uncertainty set as the image of a neural network decoder over a calibrated latent set, naturally accommodating nonlinear correlations, asymmetry, and multimodality. A five-point evaluation framework (reconstruction fidelity, distribution matching, latent regularity, robust relevance, and computational tractability) provides systematic, model-agnostic criteria for assessing any neural network-based uncertainty set. We instantiate this framework with a Wasserstein Adversarial Autoencoder employing Gaussian mixture model-guided training for latent regularity and constraint-consistency regularisation for robust relevance. Restricting the decoder to ReLU activations enables exact worst-case verification through mixed-integer programming embedding. Extensive experiments on a production planning problem across six uncertainty distributions and six generative architectures, together with a multi-period facility location study, validate the framework and demonstrate that systematic attention to all five criteria yields uncertainty sets that are simultaneously expressive, well-calibrated, and optimisation-tractable.
Yuhui Yin, Vassilis M. Charitopoulos
Jun 17, 2026cs.LG

Dual-Channel Grounded World Modeling (DCGWM): Structural Prevention of Objective Interference Collapse via Heterogeneous External Grounding with Inward-Only Gradient Flow

Joint Embedding Predictive Architectures (JEPAs) are a leading approach to world model representation learning. We identify a failure mode in JEPA-based world models grounded against two qualitatively distinct external signals: physical dynamics (sparse, high-magnitude, constraint-satisfying gradient corrections) and social-behavioral dynamics (diffuse, distribution-matching corrections). We term this Objective Interference Collapse (OIC): we argue that joint learning in a shared latent space causes the dominant channel to systematically collapse the subordinate channel's representational subspace, in a manner not resolvable by loss weighting alone. We propose Dual-Channel Grounded World Modeling (DCGWM), designed to structurally prevent OIC through a partitioned latent space (physical subspace Z_p, behavioral subspace Z_b) with inward-only gradient flow. A Physical Grounding Channel updates only Z_p via VICReg-style alignment to physical measurements; a Social-Behavioral Grounding Channel updates only Z_b via alignment to trajectories from an emergent multi-agent simulation. An Inter-Channel Interface Module couples the subspaces at the task level without cross-subspace gradients. An Asymmetric Grounding Adherence Loss penalizes rollout drift with a hard hinge for physical violations and a soft KL for behavioral divergence. A Generative Rendering Layer is architecturally isolated from the latent world model. We present three theoretical results: the partition removes the gradient-interference pathway implicated in OIC; each grounded subspace inherits anti-collapse guarantees from its alignment objective; and generative isolation is necessary under a stated assumption on the generative objective's geometry. This manuscript establishes the problem formulation and architecture; experimental validation is ongoing and will be reported in a future revision.
Akshay Hazare
Jun 17, 2026cs.LG

Correcting Sensor-Induced Distribution Drift with Wasserstein Adversarial Learning

The quality of recorded data depends on the stability of the sensor system that acquires it. Sensor motion and aging can degrade the performance and stability of downstream data-driven methods. We present a Wasserstein-GAN-inspired approach for unsupervised inference of physically interpretable transformation parameters that map a changed detector response distribution back to a nominal reference distribution. In contrast to standard generative modeling, the generator is used as a learnable calibration transformation whose trainable weights represent the sought parameters, while the critic provides a distributional distance signal via the Wasserstein objective. We validate the approach on a tracking-detector toy model with controlled layer shifts and demonstrate its application on high-granularity Geant4-simulated calorimeter data with cell-wise aging effects. The method recovers aging coefficients for individual cells with correlation to ground truth and improves agreement between calibrated and reference energy-sum distributions, while exhibiting the expected degradation at increasing channel-to-channel noise levels. These results indicate that adversarial distribution matching can serve as a data-driven component of calibration strategies in settings where direct labels for degradation parameters are unavailable.
Saraa Ali, Vladimir Bocharnikov, Fedor Ratnikov +3
Jun 15, 2026stat.ML

Diffusion Flow Matching: Dimension-Improved KL Bounds and Wasserstein Guarantees

Diffusion Flow Matching (DFM) has recently emerged as a versatile framework for generative modeling, yet its theoretical convergence properties remain only partially understood. In this work, we provide refined and novel convergence guarantees for Brownian motion based DFMs, focusing on the discretization error. Our analysis is conducted under the Kullback-Leibler (KL) divergence and the 2-Wasserstein distance. Under finite-moment conditions and a mild score integrability assumption, we derive KL convergence bounds with improved dimensional dependence compared to prior work, achieving, up to our knowledge, state-of-the-art scaling under minimal conditions. We further extend the analysis to the 2-Wasserstein distance: under an additional first-order score integrability assumption and a weak log-concavity condition, we obtain convergence guarantees with dimensional dependence consistent with the KL case.
Marta Gentiloni Silveri, Giovanni Conforti, Alain Durmus
Jun 3, 2026math.OC

Gradient descent at the Edge of Stability: free energy model and kinetic description of the two-layer network

We study the dynamics of gradient descent in the Edge of Stability regime, where the learning rate is large enough to induce persistent oscillations in the loss and the sharpness. We propose a continuous-time effective model that tracks the evolution of the average trajectory coupled with the time-averaged covariance of its fast oscillations. Our analysis reveals that the natural quantity to monitor in such unstable regimes is an effective free energy, which combines the original risk functional with a curvature-related "entropic" term. Our model allows us to track the envelope of the oscillations even in situations where its dynamics evolve on similar timescales as the averaged weights. Otherwise stated, we can track the spikes that occur during the training of some neural network architectures. For wide two-layer neural networks optimized under stable non-vanishing oscillations, we derive a mean-field limit that results in a novel kinetic equation describing the joint distribution of weights and their fluctuations. We show that this equation can be interpreted as a Wasserstein-2 gradient flow of a macroscopic free energy. Finally, we provide numerical evidence on matrix factorization and deep learning tasks (CIFAR-10) to demonstrate the model's accuracy in capturing the envelope of the oscillations and the predictive power of the effective free energy.
Antonin Chodron de Courcel
May 29, 2026cs.LG

A Unifying View of Variational Generative Wasserstein Flows

Many modern generative models can be viewed as minimizing divergences between probability distributions, yet they rely on different algorithmic and geometric principles. Wasserstein gradient flows provide a continuous-time formulation for optimizing over distributions, and can be approximated through their implicit discretization via the Jordan-Kinderlehrer-Otto (JKO) scheme. In this work, we present a unified theoretical framework for generative modeling based on Wasserstein gradient flows, which we refer to as Generative Wasserstein Flows (GWF). We show that a broad class of existing methods can be derived as instances of parametric JKO schemes for ff-divergence objectives, and we establish equivalences between several recently proposed algorithms. We extend this framework beyond f-divergence to Integral Probability Metrics and squared Maximum Mean Discrepancy, deriving new JKO-based generative algorithms, and clarifying their connections with GANs. We study empirically the impact of the JKO regularization for a wide set of objectives. Finally, we analyze parametric Wasserstein flows, where the dynamics are restricted to distributions induced by parametrized maps.
Paul Caucheteux, Clément Bonet, Anna Korba
May 29, 2026cs.LG

Reachability and asymptotics of Gaussian Transformer dynamics

We formulate data propagation through the Transformer, the machine learning architecture powering large language models, as a nonlinear control system on the space of probability measures. For the mean-field Transformer model with self-attention and affine feed-forward layers, we prove that Gaussian distributions remain exactly Gaussian along the induced flow. This invariance reduces the infinite-dimensional measure dynamics to a finite-dimensional bilinear control system governing the evolution of the mean and covariance, reformulates the expressive capacity of Transformers as a reachability problem for prescribed Gaussian moments, and reveals a novel connection with Riccati-type equations from classical filtering and control. For time-varying controls, we prove exact finite-time reachability of any target Gaussian distribution whose covariance matrix has the same rank as the initial one, this rank constraint being an intrinsic invariant of the dynamics. For time-invariant parameters, we derive explicit spectral conditions leading either to asymptotic stability toward positive-definite equilibria or to finite-time blow-up of the covariance. Numerical experiments complement the theory by showing that practical Transformers with Gaussian inputs remain close to moment-matched Gaussian distributions through early and intermediate layers, while Transformers with prescribed attention matrices reproduce the predicted covariance regimes: bounded evolution in stabilizing configurations and blow-up in destabilizing ones.
Albert Alcalde, Zhengping Ji, Enrique Zuazua
May 28, 2026cs.LG

The Little Book of Generative AI Foundations: An Intuitive Mathematical Primer

This book provides a compact, derivation-oriented introduction to the mathematical foundations of modern generative artificial intelligence. Rather than surveying every recent architecture or implementation detail, it develops a coherent route through the ideas connecting major families of generative models, from PCA, probabilistic PCA, variational autoencoders, and diffusion models to normalising flows, autoregressive factorisations, GANs, Wasserstein GANs, and energy-based models. The aim is to make the structure of generative modelling more accessible without removing the mathematical substance needed to understand how these models are derived and related. The book is intended as a foundation-building primer for mathematically curious researchers, practitioners, and students.
Tianhua Chen
May 25, 2026cs.LG

Global Convergence of Wasserstein Policy Gradient for Entropy-Regularized Reinforcement Learning

Wasserstein policy gradient (WPG) is a policy optimization method for reinforcement learning (RL) that exploits the optimal-transport geometry of action distributions. For the entropy-regularized RL objective, WPG evolves each state-conditional policy by transporting it along the action gradient of the soft Q-function together with a Langevin-type diffusion. Despite its appeal for continuous-control problems, its global convergence properties remain poorly understood. Standard Langevin analyses do not directly apply, because the RL objective depends on the policy through the Bellman recursion rather than through a static convex functional, and the Langevin drift is determined by the soft Q-function, whose regularity must be controlled along the policy iterates. In this paper, we develop a global convergence theory for WPG by exploiting the Bellman structure of entropy-regularized RL. We show that the role usually played by convexity can be replaced by a Bellman-based argument: the soft Bellman residual admits a statewise KL representation with respect to a Gibbs policy; Bellman contraction relates this residual to the global optimality gap; and a Bellman resolvent identity connects value improvement to relative Fisher information. Combined with a uniform log-Sobolev inequality (LSI) for the evolving Gibbs family, these ingredients yield a distributional Polyak--Łojasiewicz condition. We further establish the regularity and uniform bounds needed to control the discretization error, thereby obtaining geometric contraction up to a discretization bias. Conceptually, our analysis shows that although entropy-regularized RL is not convex in the usual flat sense, the Bellman recursion induces a favorable Polyak--Lojasiewicz-type (PL) geometry that supports global convergence of WPG.
Zhaoyu Zhu, Rui Gao, Shuang Li
May 24, 2026cs.LG

Leveraging Gauge Freedom for Learning Non-Gradient Population Dynamics of Stochastic Systems

Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are optimal in a specific sense: they minimize kinetic energy. The selection of fields based on different criteria corresponds to a gauge freedom when determining population dynamics, which we leverage in this work. We propose Non-Gradient Inference Flows (NGIF), an algorithm to infer non-gradient population dynamics using a weak formulation of the continuity equation. This allows us to parameterize general vector fields and choose other selection criteria beyond minimal kinetic energy. We demonstrate on a variety of low- and high-dimensional physics problems that this more general approach improves distributional accuracy over gradient-restricted baselines and better captures non-potential transport.
Jules Berman, Tobias Blickhan, Benjamin Peherstorfer
May 22, 2026stat.ML

On the Stability of Spherical Hellinger-Kantorovich Flows and Their Implications for Differential Privacy

Gradient-flow sampling interprets a Gibbs distribution as the minimizer of an energy functional over probability measures and generates dynamics converging to this target. Under spherical Hellinger-Kantorovich (SHK) geometry, the flow couples transport and reaction and coincides with birth-death Langevin dynamics. In this work, we develop a perturbation theory for SHK gradient flows. For two potentials VV and VV^{\prime}, we compare the associated flows from a common initialization and quantify how potential discrepancies propagate over time. A uniform perturbation bound yields dimension-free, pointwise control of the log-likelihood ratio and Rényi divergence, while additional structure allows us to derive bounds for the KL divergence as well. We apply these results to approximate sampling for the exponential mechanism in differential privacy. The likelihood-ratio control provides explicit time-dependent Pure-DP guarantees for SHK-based samplers, while the KL bound yields Approximate-DP certificates via hockey-stick divergence. We also derive a utility bound separating intrinsic exponential-mechanism suboptimality from finite-time sampling error.
Aratrika Mustafi, Soumya Mukherjee
May 22, 2026stat.ML

Move on Muon : A Hamiltonian probability gradient flow perspective of Muon optimizer

We develop a gradient flow on the space of probability measures defined on matrix-valued parameters induced by regularized Muon, an analytically smoothed version of the idealized Muon optimizer. The key observation is that the regularized orthogonalization map is the gradient of a smooth Fenchel-dual smoothing of the nuclear norm. This identifies the (regularized) Muon update as a mirror/prox step in the update variable, with momentum acting as the dual coordinate. We use this structure to lift Muon from a single matrix parameter to finite-particle probability objectives of the form J(ρ)=R(Fdρ)J(ρ)=R\left(\int F d ρ\right), a setting motivated by mean-field descriptions of neural-network training, and derive the inertial continuous-time limit. Using this structure, we derive the finite-particle continuous-time limit under the inertial scaling of step size and momentum, and then pass to a phase-space mean-field equation over probability laws on parameter-momentum pairs. The resulting flow can be shown to be a damped Hamiltonian probability dynamics whose kinetic energy is induced by the regularized Muon mirror potential. We prove an exact Hamiltonian dissipation identity, showing that the Hamiltonian energy decreases monotonically. While the target objective itself need not be monotone along the inertial Muon dynamics, under additional gradient-dominance, bounded-momentum, and curvature/alignment assumptions, we obtain continuous and discrete-time exponential convergence rates for the objective gap. We also study the well-posedness of the mean-field limit equation and establish propagation of chaos guarantees for the interacting particle system. Finally, we extend the formulation to Hilbert-valued feature maps on product matrix spaces, yielding a blockwise Muon probability flow applicable to smooth transformer mixture-of-experts models.
Aratrika Mustafi, Soumya Mukherjee, Bharath K. Sriperumbudur
May 21, 2026cs.LG

A note on convergence of Wasserstein policy optimization

Wasserstein Policy Optimization (WPO) is a recently proposed reinforcement learning algorithm that leverages Wasserstein gradient flows to optimize stochastic policies in continuous action spaces. Despite its empirical success, the theoretical convergence properties of WPO in environments with continuous state and action spaces have yet to be fully established. In this note, we argue that WPO within the framework of entropy-regularised Markov Decision Processes converges linearly. This is done by leveraging recent advances in mean-field analysis for convergence of gradient flows using log-Sobole inequalities. Assuming existence of sufficiently regular solution to the gradient flow equation we demonstrate monotonic energy dissipation along the flow and establish a local log-Sobolev inequality. Ultimately, these properties allow us to argue that the value function should converge linearly to the global optimum.
David Šiška, Yufei Zhang
May 21, 2026stat.ML

Uniform-in-Time Weak Propagation-of-Chaos in Shallow Neural Networks

We consider one-hidden layer neural networks trained in the feature-learning regime using gradient descent, and relate the output of the finite-width network fρ^tmf_{\hatρ_t^m} to its infinite-width counterpart fρtMFf_{ρ_t^{MF}}, which evolves in the mean-field dynamics. While constant-time horizon bounds for fρtMFfρ^tm\|f_{ρ_t^{MF}} - f_{\hatρ_t^m}\| may be obtained via standard Grönwall estimates, the long-time behavior of the fluctuation is a more delicate matter. Uniform-in-time bounds often rely on (local) strong convexity in the landscape or Logarithmic Sobolev inequalities present in noisy gradient dynamics. In this work, we establish non-asymptotic weak propagation-of-chaos that holds uniformly in time, obtained by exploiting instead the convergence rate of the mean-field deterministic Wasserstein-gradient-flow dynamics. Specifically, denoting by LtL_t the mean-field excess MSE loss at time tt and mm the number of neurons, under standard regularity assumptions and the condition 0Lt1/2dt=O(logd)\int_0^\infty L_t^{1/2} dt =O(\log d), we obtain the uniform in time bound fρtMFfρ^tm2poly(d)mmin(1,c/6)\|f_{ρ_t^{MF}}- f_{\hatρ_t^m}\|^2 \lesssim \text{poly}(d) m^{-\min(1,c/6)} whenever LttcL_t \lesssim t^{-c}. Our result holds in a noiseless setting and does not make any assumptions on the geometry of the landscape near the optimum, and extends seamlessly to other forms of discretization, including finite number of samples and time discretization. A key takeaway of our result is that whenever the convergence rate of the mean-field, population-loss dynamics is faster than t2t^{-2}, we can attain a loss of εε with only poly(d/ε)\text{poly}(d/ε) neurons, training samples, and GD steps.
Margalit Glasgow, Joan Bruna
May 18, 2026cs.RO

Scenario Generation in Roundabouts with Adjustable Interaction Intensity

Roundabouts, characterized by frequent merging and yielding interactions, remain a safety-critical corner case for the development and testing of intelligent driving functions. However, extracting sufficient near-critical scenarios from naturalistic data is inefficient. Most existing scenario generation methods provide limited controllability over interaction intensity and criticality, making systematic safety testing and detailed analysis difficult. This paper presents an interaction-aware roundabout scenario generator with continuously adjustable interaction intensity. Geometric routes and temporal progress profiles are first decoupled and mapped to latent codes using pretrained autoencoders. Conditional latent generation is then performed with Wasserstein Generative Adversarial Networks (WGAN) to generate scenarios. Yielding is modeled as a controllable timing intervention via a compact yield code during the approach-to-entry segment, where interaction intensity is modulated by scaling the code with a factor λλ. Results demonstrate enhanced timing-latent fidelity and plausible interaction responses compared to a baseline model. Under criticality-calibrated scaling, increasing λλ expands the safety margin, providing a scalable and controlled testing mechanism.
Li Li, Till Temmen, Tobias Brinkmann +3
May 18, 2026cs.LG

A Unified Framework for Data-Free One-Step Sampling via Wasserstein Gradient Flows

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form V(x)=w(r(x))β(x)\mathbf{V}(x)=w(r(x))\,β(x), where β(x)=log(p(x)/q(x))β(x)=\nabla \log (p(x)/q(x)) is shared across objectives and ww is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution pp and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.
Chenguang Wang, Tianshu Yu
May 15, 2026cs.LG

Multi-Headed Transformer Architectures as Time-dependent Wasserstein Gradient Flows

In recent years, transformer architectures have revolutionized the field of language processing, opening the door to previously unforeseen possibilities. However, from a theoretical point of view, the mathematical models proposed in the literature often lack direct contact with the actual architectures and depend on strong simplifying assumptions. In this paper, we reduce this gap by modelling the data flow in multi-headed transformer architectures as time-dependent gradient flows for a suitable interaction energy capturing the design of the attention mechanism. The explicit dependence on time allows us to consider different weights for each head and for each layer, without imposing constraints on the initialization method. Moreover, we prove that, under a suitable integrability assumption on the evolution of the weights, each element of the ωω-limit set of the gradient flows is a stationary point of the interaction energy at a limiting weight distribution. Finally, we analyse the stability of the gradient flows considering perturbations of both the initial data and the weights. Specifically, on the one hand, we study the robustness of the proposed models with respect to noisy inputs, establishing a continuous dependence of the gradient flows on the initial data and uniqueness of the flows. On the other hand, we prove the ΓΓ-convergence of the perturbed interaction energy to the unperturbed one, leading to the convergence of the corresponding gradient flows. We complement these theoretical results with numerical experiments that confirm the predicted energy-dissipation identity and clarify the asymptotic behavior of the dynamics in both the autonomous-like (Ornstein--Uhlenbeck) and the genuinely non-autonomous (oscillating-weights) regimes.
Alex Massucco, Leonardo Del Grande, Marcello Carioni +2
May 12, 2026cs.LG

Sobolev Regularized MMD Gradient Flow

We propose Sobolev-regularized Maximum Mean Discrepancy (SrMMD) gradient flow, a regularized variant of maximum mean discrepancy (MMD) gradient flow based on a gradient penalty on the witness function. The proposed regularization mitigates the non-convexity of the MMD objective and yields provable \emph{global} convergence guarantees in MMD in both continuous and discrete time. A more surprising appeal is that our convergence analysis does not rely on isoperimetric assumptions on the target distribution. Instead, it is based on a regularity condition on the difference between kernel mean embeddings. A key highlight of the proposed flow is that it is applicable in both sampling (from an unnormalized target distribution) -- using Stein kernels -- and generative modeling settings, unlike previous works, where a gradient flow is suitable for only generative modeling or sampling but not both. The effectiveness of the proposed flow is empirically verified on a broad range of tasks in both generative modelling and sampling.
Chenyang Tian, Bharath K. Sriperumbudur, Arthur Gretton +1
May 12, 2026cs.LG

Metric-Gradient Projection for Stable Multi-Agent Policy Learning

General-sum multi-agent learning is often governed by a stacked update field in which each agent's policy update changes the optimization landscape faced by the others. This coupling can entangle an integrable component of collective improvement with cyclic interaction dynamics, leading to slow or unstable multi-agent learning. Existing approaches, such as regularization, credit assignment, and consensus methods, stabilize MARL through local or algorithmic modifications; HPML complements them by projecting the joint update field onto a metric-gradient component. We introduce \textbf{HPML} (\textbf{H}odge-\textbf{P}rojected \textbf{M}ulti-agent \textbf{L}earning), which views the joint update field of a multi-agent system as an element of an L2L^2 space of vector fields and computes a Hodge-type projection onto the closest metric-gradient potential flow. HPML follows the projected component as the update direction, yielding the closest metric-gradient field under the chosen metric and sampling measure. The projection is defined variationally, characterized by a Poisson-type equation, and implemented through graph-based and amortized neural realizations that recover projected directions from samples. We show that the projected dynamics admit a Lyapunov potential and yield equilibrium-gap bounds with an explicit additive non-potentiality term. Controlled experiments validate the geometric mechanism, and CTDE benchmarks show improved stability and normalized return when HPML is used as a plug-in projection layer in MARL pipelines.
Zuyuan Zhang, Sizhe Tang, Mahdi Imani +1
May 11, 2026cs.LG

Kernel-Gradient Drifting Models

We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because it enables fast, high-quality generation without distilling a large pretrained diffusion model, but its theory is currently understood mainly for Gaussian kernels, where the drift coincides with smoothed score matching and is identifiable. Our gradient-based reformulation exposes this score-based structure for general kernels: the resulting drift is the score difference between kernel-smoothed data and model distributions, yielding identifiability for characteristic kernels and a smoothed-KL descent interpretation of the drifting dynamics. Since kernel gradients are intrinsic tangent vectors, the same construction extends naturally to Riemannian manifolds and to discrete data via the Fisher-Rao geometry of the probability simplex. Across spherical geospatial data, promoter DNA and molecule generation, kernel-gradient drifting enables state-of-the-art one-step generation beyond the Euclidean setting without distillation.
Maria Esteban-Casadevall, Jorge Carrasco-Pollo, Max Welling +3
May 11, 2026math.ST

Extended Wasserstein-GAN Approach to Causal Distribution Learning: Density-Free Estimation and Minimax Optimality

Distributional causal inference requires estimating not only average treatment effects but also interventional outcome distributions, including quantiles, tail risks, and policy-dependent uncertainty. As a method for distributional causal inference, generative adversarial network (GAN)-based counterfactual methods are flexible tools for this task. However, these methods have several limitations. First, the objectives of certain techniques do not coincide with the statistical risk of the identifiable causal target, and therefore provide limited theoretical guarantees regarding estimable counterfactual distributions or optimality. Second, they tend to rely on unstable density-based methods, such as density ratio estimation. In this paper, we propose GANICE (GAN for Interventional Conditional Estimation) with several advantages: it (i) clarifies the conditional interventional distribution for each treatment--covariate state as the causal estimation target; (ii) estimates the conditional distribution such that its averaged Wasserstein risk is minimized; (iii) establishes minimax optimality. GANICE achieves these advantages through the introduction of the extended Wasserstein distance, the incorporation of a cellwise critic in its dual, and an optimality proof based on Besov space theory. Our experiments demonstrate that GANICE consistently outperforms existing methods.
Shu Tamano, Masaaki Imaizumi
May 10, 2026stat.ML

Quantitative Local Convergence of Mean-Field Stein Variational Gradient Flow

Stein Variational Gradient Descent (SVGD) is a deterministic interacting-particle method for sampling from a target probability measure given access to its score function. In the mean-field and continuous-time limit, it is known that the flow converges weakly toward the target, but no quantitative rate is known for the last iterate. In this paper, we establish quantitative local convergence in strong norms for this dynamics, when the interaction kernel is of Riesz type on the dd-dimensional torus. Specifically, assuming that the initial density and the target are smooth and close in L2L^2-norm, we obtain explicit polynomial convergence rates in L2L^2-norm that depend on the dimension and on the regularity parameters of the kernel, the initialization and the target. We further show that these rates are sharp in certain regimes, and support the theory with numerical experiments. In the edge case of kernels with a Coulomb singularity, we recover the global exponential convergence result established in prior work. Our analysis is inspired by recent results on Wasserstein gradient flows of kernel mean discrepancies.
Lénaïc Chizat, Maria Colombo, Roberto Colombo +1
May 9, 2026cs.CV

Probability-Flow Distillation: Exact Wasserstein Gradient Flow for High-Fidelity 3D Generation

Score Distillation Sampling (SDS) and its variants have been widely used for text-to-3D generation by distilling 2D image diffusion priors. However, the standard SDS objective is prone to severe mode collapse, frequently yielding over-smoothed and over-saturated results. Although recent advancements, such as Score Distillation via Inversion (SDI), mitigate these artifacts and produce visually sharper models, they ultimately fail to faithfully capture the full target distribution. In this work, we show that the bottleneck limiting the sampling capacity of SDI stems from its reliance on the posterior mean estimator, which is mathematically equivalent to a single-step Euler approximation of the deterministic reverse DDIM trajectory. To address this, we propose a naturally motivated extension termed Probability-Flow Distillation (PFD). We establish that PFD corresponds exactly to a Wasserstein gradient flow, thereby inducing principled distribution-matching dynamics. Finally, we show that PFD can synthesize 3D assets with fine-grained, high-fidelity details and achieve improved quality compared to existing methods.
Rohith Ramanan, A. N. Rajagopalan
May 8, 2026stat.ML

Consistency Regularised Gradient Flows for Inverse Problems

Vision-Language Latent Diffusion Models (LDMs) (Rombach et al., 2022) provide powerful generative priors for inverse problems. However, existing LDM-based inverse solvers typically require a large number of neural function evaluations (NFEs) and backpropagation through large pretrained components, leading to substantial computational costs and, in some cases, degraded reconstruction quality. We propose a unified Euclidean-Wasserstein-2 gradient-flow framework that jointly performs posterior sampling and prompt optimization in the latent space through a single flow that aligns the prior and posterior with the observed data. Combined with few-step latent text-to-image models, this formulation enables low-NFE inference without backpropagation through autoencoders. Experiments across several canonical imaging inverse problems show that our method achieves state-of-the-art performance with significantly reduced computational cost.
Alessio Spagnoletti, Tim Y. J. Wang, Marcelo Pereyra +1
May 8, 2026cs.LG

Drifting Field Policy: A One-Step Generative Policy via Wasserstein Gradient Flow

We propose Drifting Field Policy (DFP), a non-ODE one-step generative policy built on the drifting model paradigm. We frame the policy update as a reverse-KL Wasserstein-2 gradient flow toward a soft target policy, so that each DFP update corresponds to a gradient step in probability space. By construction, this gradient is decomposed into an ascent toward higher action-value regions and a score matching with the anchor policy as a trust region. We further derive a simple, tractable surrogate of the otherwise intractable update loss, akin to behavior cloning on top-K critic-selected actions. We find empirically that this mechanism uniquely benefits the drifting backbone owing to its non-ODE parameterization. With one-step inference, DFP achieves state-of-the-art performance on several manipulation tasks across Robomimic and OGBench, outperforming ODE-based policies.
Juil Koo, Mingue Park, Jiwon Choi +2
May 7, 2026cs.CV

Learning Discrete Autoregressive Priors with Wasserstein Gradient Flow

Discrete image tokenizers are commonly trained in two stages: first for reconstruction, and then with a prior model fitted to the frozen token sequences. This decoupling leaves the tokenizer unaware of the model that will later generate its tokens. As a result, the learned tokens may preserve image information well but still be difficult for an autoregressive (AR) prior to predict from left to right. We analyze this mismatch using Tripartite Variational Consistency (TVC), which decomposes latent-variable learning into three consistency conditions: conditional-likelihood consistency, prior consistency, and posterior consistency. TVC shows that two-stage training preserves the reconstruction side but leaves prior consistency outside the tokenizer objective: the overall token distribution is fixed before the AR prior participates in training. Motivated by this view, we add a distribution-level prior-matching signal during tokenizer training, while keeping the reconstruction objective unchanged. We optimize this signal with a Wasserstein-gradient-flow update. For hard categorical tokens, the update reduces to a token-level contrast between an auxiliary AR model that tracks the tokenizer's current token distribution and the target AR prior. It requires only forward passes through the two AR models and does not backpropagate through either of them. The resulting tokenizer, wAR-Tok, reduces AR loss and improves generation FID on CIFAR-10 and ImageNet at comparable reconstruction quality.
Bowen Zheng, Yihong Luo, Tianyang Hu
May 7, 2026math.ST

Optimal Confidence Band for Kernel Gradient Flow Estimator

In this paper, we investigate the supremum-norm generalization error and the uniform inference for a specific class of kernel regression methods, namely the kernel gradient flows. Under the widely adopted capacity-source condition framework in the kernel regression literature, we first establish convergence rates for the supremum norm generalization error of both continuous and discrete kernel gradient flows under the source condition s>α0s>α_0, where α0(0,1)α_0\in(0,1) denotes the embedding index of the kernel function. Moreover, we show that these rates match the minimax optimal rates. Building on this result, we then construct simultaneous confidence bands for both continuous and discrete kernel gradient flows. Notably, the widths of the proposed confidence bands are also optimal, in the sense that their shrinkage rates are greater than, while can be arbitrarily close to, the minimax optimal rates.
Yuqian Cheng, Zhuo Chen, Qian Lin
May 7, 2026cs.LG

Energy Generative Modeling: A Lyapunov-based Energy Matching Perspective

Generative models based on static scalar energy functions represent an emerging paradigm in which a single time independent potential drives sample generation through its gradient field, eliminating the need for time conditioning entirely. We unify the training and sampling phases of this paradigm, conventionally treated as separate procedures, within a single framework: density transport on the Wasserstein space, cast as a nonlinear control problem in which the Kullback Leibler (KL) divergence serves as a Lyapunov function. Training and sampling are then two instances of this same master dynamics, differing only in initial condition. Within this autonomous framework we develop two analytic results. First, since the Lyapunov certificate is asymptotic, we derive a finite step stopping criterion for Langevin sampling and prove that no Lyapunov certificate exists for the deterministic gradient flow on the same energy landscape. Second, the reformulation brings the toolkit of nonlinear control theory to bear on static scalar energy generative modeling, that is, we show that additive composition of trained scalar energies retains an explicit Gibbs invariant measure and inherits the closed-loop Lyapunov certificate. Beyond these immediate results, this reformulation bridges static scalar energy generative models with the full toolkit of nonlinear control theory, opening the door to barrier functions for constrained generation and contraction metrics for accelerated sampling. Experiments on synthetic distributions validate the theoretical predictions.
Yixuan Wang, Wenqian Xue, Warren E. Dixon
May 6, 2026cs.LG

On the Wasserstein Gradient Flow Interpretation of Drifting Models

Recently, Deng et al. (2026) proposed Generative Modeling via Drifting (GMD), a novel framework for generative tasks. This note presents an analysis of GMD through the lens of Wasserstein Gradient Flows (WGF), i.e., the path of steepest descent for a functional in the space of probability measures, equipped with the geometry of optimal transport. Unlike previous WGF-based contributions, GMD can be thought of as directly targeting a fixed point of a specific WGF flow. We demonstrate three main results: first, that one algorithm proposed by Deng et al. (2026) corresponds to finding the limiting point of a WGF on the KL divergence, with Parzen smoothing on the densities. Second, that the algorithm actually implemented by Deng et al. (2026) corresponds to a different procedure, which bears some resemblance to the fixed point of a WGF on the Sinkhorn divergence, but lacks certain desirable properties of the latter. Third, the same same idea can be extended to the limiting point of other WGFs, including the Maximum Mean Discrepancy (MMD), the sliced Wasserstein distance, and GAN critic functions.
Arthur Gretton, Li Kevin Wenliang, Alexandre Galashov +3
May 3, 2026cs.LG

Finite-Size Gradient Transport in Large Language Model Pretraining: From Cascade Size to Intensive Transport Efficiency

We introduce a finite-size gradient-transport framework for real language-model training, based on five observables (D,z,β,δ,vrel)(D,z,β,δ,v_{\mathrm{rel}}) that separate cascade size, duration, absolute transport, and intensive transport efficiency. We analyze direct raw-gradient measurements from Pico-LM across four scales and 125 aligned steps, together with a five-scale Pythia companion dataset built from 153 aligned checkpoint-difference update fields. The same algebraic closure holds in both families, and both share a near-unity cascade-size backbone, but they occupy distinct transport regimes: Pico-LM shows positive duration scaling and negative intensive-efficiency scaling, whereas Pythia remains near the D=1D=1 baseline with only weak positive efficiency scale dependence. Randomized-field controls give nearly matched null floors in the intensive and duration channels, indicating that the contrast reflects different real departures from a shared null skeleton rather than different null calibrations. The families also differ in stepwise power-law compressibility: Pico-LM retains clean duration and efficiency power laws, whereas Pythia preserves the size backbone but shows weaker one-slope compressibility in those channels. External performance associations are correspondingly channel-level, carried mainly by vrelv_{\mathrm{rel}} and normalized cascade duration, while D(t)D(t) acts as a shared size backbone without a significant exponent-level performance association. These results support a reusable transport measurement framework without claiming a universal fixed point or a first-principles derivation of neural scaling laws.
Ping Wang, Yan-Qi Du
Apr 22, 2026stat.ML

Properties and limitations of geometric tempering for gradient flow dynamics

We consider the problem of sampling from a probability distribution ππ. It is well known that this can be written as an optimisation problem over the space of probability distributions in which we aim to minimise the Kullback--Leibler divergence from ππ. We consider the effect of replacing ππ with a sequence of moving targets (πt)t0(π_t)_{t\ge0} defined via geometric tempering on the Wasserstein and Fisher--Rao gradient flows. We show that convergence occurs exponentially in continuous time, providing novel bounds in both cases. We also consider popular time discretisations and explore their convergence properties. We show that in the Fisher--Rao case, replacing the target distribution with a geometric mixture of initial and target distribution never leads to a convergence speed up both in continuous time and in discrete time. Finally, we explore the gradient flow structure of tempered dynamics and derive novel adaptive tempering schedules.
Francesca Romana Crucinio, Sahani Pathiraja
Apr 20, 2026stat.ML

Random Matrix Theory of Early-Stopped Gradient Flow: A Transient BBP Scenario

Empirical studies of trained models often report a transient regime in which signal is detectable in a finite gradient descent time window before overfitting dominates. We provide an analytically tractable random-matrix model that reproduces this phenomenon for gradient flow in a linear teacher--student setting. In this framework, learning occurs when an isolated eigenvalue separates from a noisy bulk, before eventually disappearing in the overfitting regime. The key ingredient is anisotropy in the input covariance, which induces fast and slow directions in the learning dynamics. In a two-block covariance model, we derive the full time-dependent bulk spectrum of the symmetrized weight matrix through a 2×22\times 2 Dyson equation, and we obtain an explicit outlier condition for a rank-one teacher via a rank-two determinant formula. This yields a transient Baik-Ben Arous-Péché (BBP) transition: depending on signal strength and covariance anisotropy, the teacher spike may never emerge, emerge and persist, or emerge only during an intermediate time interval before being reabsorbed into the bulk. We map the corresponding phase diagrams and validate the theory against finite-size simulations. Our results provide a minimal solvable mechanism for early stopping as a transient spectral effect driven by anisotropy and noise.
Florentin Coeurdoux, Grégoire Ferré, Jean-Philippe Bouchaud
Feb 4, 2026cs.LG

Gradient Flow Through Diagram Expansions: Learning Regimes and Explicit Solutions

We develop a general mathematical framework to analyze scaling regimes and derive explicit analytic solutions for gradient flow (GF) in large learning problems. Our key innovation is a formal power series expansion of the loss evolution, with coefficients encoded by diagrams akin to Feynman diagrams. We show that this expansion has a well-defined large-size limit that can be used to reveal different learning phases and, in some cases, to obtain explicit solutions of the nonlinear GF. We focus on learning Canonical Polyadic (CP) decompositions of high-order tensors, and show that this model has several distinct extreme lazy and rich GF regimes such as free evolution, NTK and under- and over-parameterized mean-field. We show that these regimes depend on the parameter scaling, tensor order, and symmetry of the model in a specific and subtle way. Moreover, we propose a general approach to summing the formal loss expansion by reducing it to a PDE; in a wide range of scenarios, it turns out to be first-order and solvable by the method of characteristics. We observe a very good agreement of our theoretical predictions with experimental results.
Dmitry Yarotsky, Eugene Golikov, Yaroslav Gusev
Nov 22, 2025stat.ML

An operator splitting analysis of Wasserstein--Fisher--Rao gradient flows

Wasserstein-Fisher-Rao (WFR) gradient flows have been recently proposed as a powerful sampling tool that combines the advantages of pure Wasserstein (W) and pure Fisher-Rao (FR) gradient flows. Existing algorithmic developments implicitly make use of operator splitting techniques to numerically approximate the WFR partial differential equation, whereby the W flow is evaluated over a given step size and then the FR flow (or vice versa). This works investigates the impact of the order in which the W and FR operator are evaluated and aims to provide a quantitative analysis. Somewhat surprisingly, we show that with a judicious choice of step size and operator ordering, the split scheme can converge to the target distribution faster than the exact WFR flow (in terms of model time). We obtain variational formulae describing the evolution over one time step of both splitting schemes and investigate in which settings the W-FR split should be preferred to the FR-W split. As a step towards this goal we show that the WFR gradient flow preserves log-concavity and obtain the first sharp decay bound for WFR flow.
Francesca Romana Crucinio, Sahani Pathiraja
Sep 23, 2025stat.ML

A Gradient Flow Approach to Solving Inverse Problems with Latent Diffusion Models

Solving ill-posed inverse problems requires powerful and flexible priors. We propose leveraging pretrained latent diffusion models for this task through a new training-free approach, termed Diffusion-regularized Wasserstein Gradient Flow (DWGF). Specifically, we formulate the posterior sampling problem as a Wasserstein gradient flow in the latent space of an expected negative log posterior objective, regularized by a Kullback-Leibler divergence to the diffusion prior. We demonstrate the performance of our method on standard benchmarks using StableDiffusion (Rombach et al., 2022) as the prior.
Tim Y. J. Wang, O. Deniz Akyildiz
Jan 13, 2025cs.LG

Derivation of effective gradient flow equations and dynamical truncation of training data in Deep Learning

We derive explicit equations governing the cumulative biases and weights in Deep Learning with ReLU activation function, based on gradient descent for the Euclidean loss in the input layer, and under the assumption that the weights are, in a precise sense, adapted to the coordinate system distinguished by the activations. We show that gradient descent corresponds to a dynamical process in the input layer, whereby clusters of data are progressively reduced in complexity ("truncated") at an exponential rate that increases with the number of data points that have already been truncated. We provide a detailed discussion of several types of solutions to the gradient flow equations. A main motivation for this work is to shed light on the interpretability question in supervised learning.
Thomas Chen
Oct 31, 2024stat.ML

Inclusive KL Gradient Flows: Otto-Wasserstein, Fisher-Rao-Gaussian, and Local-Estimator Dynamics

Otto's Wasserstein gradient flow of the inclusive (forward) Kullback--Leibler (KL) divergence offers a principled framework for analyzing statistical inference algorithms, yet algorithms targeting the exclusive (reverse) KL divergence are rarely studied with such tools. We establish a unified gradient-flow and PDF framework for inclusive KL inference. We show that maximum mean discrepancy minimization can be viewed as inclusive KL inference with an approximate gradient estimator, and we develop the Fisher--Rao and Wasserstein--Fisher--Rao gradient flows that directly target the inclusive KL divergence. Restricting these flows to the manifold of Gaussian distributions yields explicit gradient-flow ODEs, providing a foundation for Gaussian variational inference. Building on this viewpoint, we further introduce a local-estimator Wasserstein gradient flow whose velocity is obtained by local nonparametric regression, free of density-ratio evaluation or kernel gradients, improving the algorithmic performance over the MMD-based particle method.
Jia-Jie Zhu
Mar 28, 2024math.OC

Fisher-Rao Gradient Flows of Linear Programs and State-Action Natural Policy Gradients

Kakade's natural policy gradient method has been studied extensively in recent years, showing linear convergence with and without regularization. We study another natural gradient method based on the Fisher information matrix of the state-action distributions which has received little attention from the theoretical side. Here, the state-action distributions follow the Fisher-Rao gradient flow inside the state-action polytope with respect to a linear potential. Therefore, we study Fisher-Rao gradient flows of linear programs more generally and show linear convergence with a rate that depends on the geometry of the linear program. Equivalently, this yields an estimate on the error induced by entropic regularization of the linear program which improves existing results. We extend these results and show sublinear convergence for perturbed Fisher-Rao gradient flows and natural gradient flows up to an approximation error. In particular, these general results cover the case of state-action natural policy gradients.
Johannes Müller, Semih Çaycı, Guido Montúfar
Oct 28, 2022cs.LG

A Functional-Space Mean-Field Theory of Partially-Trained Three-Layer Neural Networks

To understand the training dynamics of neural networks, prior studies have considered the mean-field limit of two-layer neural networks as the width tends to infinity, establishing theoretical guarantees for its convergence under gradient flow training as well as approximation and generalization capabilities. In this work, we study the infinite-width limit of a type of three-layer neural network where the first-layer weights are randomly sampled and untrained. To rigorously define the limiting model, we extend the mean-field theory by lifting the representation of neurons from Euclidean to functional spaces. This allows us to establish the mean-field training dynamics as a functional gradient flow with a time-varying kernel that remains positive-definite under suitable assumptions, thus proving a linear-rate convergence of its training loss. Furthermore, we define novel function spaces that contain the solutions obtained through the mean-field training dynamics and prove Rademacher complexity bounds for these spaces. Notably, our analysis applies to a range of scaling choices of the model, resulting in two distinct regimes of the mean-field limit that both exhibit feature learning through training.
Zhengdao Chen, Eric Vanden-Eijnden, Joan Bruna