Wasserstein Distance

The population dynamics of molecules, cells, and organisms are governed by a number of unknown forces. In the last decade, population dynamics have predominantly been modeled with Wasserstein gradient flows. However, since gradient flows minimize free energy, they fail to capture important dynamical properties, such as periodicity. In this work, we propose a change in perspective by considering dynamics that minimize a population-level action under a damped Wasserstein Lagrangian. By deriving the corresponding Hamiltonian equations of motion, we formalize Wasserstein Lagrangian Mechanics, a structured class of second-order dynamics that encompasses classical mechanics, quantum mechanics, and gradient flows. We then propose WLM as the first algorithm that learns these second-order dynamics from observed marginals, without specifying the Lagrangian. By directly learning the population mechanics, WLM can both forecast and interpolate unseen marginals, and outperforms existing gradient flow and flow matching methods across a wide range of dynamics, including vortex dynamics, embryonic development, and flocking.

Quantile-based distributional reinforcement learning methods learn return distributions through sampled quantile regression, but their bootstrapped target quantiles may induce distorted or degenerate distribution estimates. We propose Robust Quantile-based Implicit Quantile Networks (RQIQN), a lightweight Wasserstein distributionally robust enhancement boosted from a quantile estimation perspective. We first reinterpret a snapshot of IQN loss as a collection of local empirical quantile estimation problems over sampled current fractions. We then robustify each local slot with a Wasserstein distributionally robust quantile estimation formulation, yielding a closed-form, fraction-dependent correction to the Bellman target. This correction directly addresses distributional degeneration: its median antisymmetry preserves the risk-neutral quantile average, while its monotonicity enlarges upper-lower quantile gaps and counteracts collapsed distributional spread. RQIQN thus regularizes quantile geometry without changing the underlying value objective or requiring additional sample set reconstruction. Finally, we empirically show that the proposed RQIQN outperforms other existing quantile-based distributional reinforcement learning algorithms in risk-sensitive navigation and Atari games.

We study expected generalization bounds for the Hierarchical Federated Learning (HFL) setup using Wasserstein distance. We introduce a generalized framework in which data is sampled hierarchically, and we model it with a multi-layered tree structure that induces dependencies among the clients' datasets. We derive generalization bounds in terms of Wasserstein distance under the Lipschitz assumption on the loss function, by applying a supersample construction that allows us to measure the sensitivity of the algorithm to the change of a single node in the sampling tree. By leveraging the FL structure, we recover and strictly imply existing state-of-the-art conditional mutual information (CMI) bounds in the case of bounded losses. We also show that our bound can be applied together with Differential Privacy assumptions, to recover generalization bounds based on algorithmic privacy. To assess the tightness of our bounds, we study the Gaussian Location Model (GLM) and show that we recover the actual asymptotic rate of the generalization error.

Group Relative Policy Optimization (GRPO) performs coarse-grained credit assignment in reinforcement learning with verifiable rewards (RLVR) by assigning the same advantage to all tokens in a rollout. Process reward models can provide finer-grained supervision, but they require step-level annotation or additional reward modeling. We show that hidden-state distributions contain a useful signal for local reasoning quality that can be extracted using only outcome-level correctness labels available in RLVR. Specifically, within each GRPO group, the Wasserstein distance between span-level hidden state distributions of correct and incorrect rollouts increases around regions where their local reasoning quality diverges. This association holds both across examples and within individual trajectories, suggesting that hidden-state distributional divergence can serve as a self-supervision signal for fine-grained credit assignment. We formalize this observation with a separation theorem showing that, under mild structural assumptions, post-divergence spans have larger Wasserstein distances than pre-divergence spans whenever the population-level distributional gap exceeds finite-sample noise. Motivated by this result, we propose \textbf{S}pan-level \textbf{H}idden state \textbf{E}nabled \textbf{A}dvantage \textbf{R}eweighting (SHEAR), which modifies GRPO by using span-level Wasserstein distances to scale token-level advantages, amplifying updates on tokens whose hidden states are more separated from the opposing group. The method requires no additional model and only minimal changes to the training pipeline. Experiments on five mathematical reasoning benchmarks and five code generation benchmarks show improvements over standard GRPO and strong performance relative to supervised process reward models, while requiring no additional annotation or reward model training.

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.

According to the United Nations Office for Disaster Risk Reduction (2025), the average annual cost of natural catastrophes increased from 70--80 billion USD between 1970 and 2000 to 180--200 billion USD between 2001 and 2020. Reports from organizations such as the IFOA and the WWF highlight the need for the insurance sector to adapt to this rapidly evolving context by developing medium- to long-term strategies that go beyond the one-year horizon of prudential regulations such as Solvency II. This paper introduces an artificial intelligence framework based on Conditional Generative Adversarial Networks (Conditional GANs) to generate future spatio-temporal trajectories of climatic indices. The approach focuses on the Soil Wetness Index (SWI), a key indicator used in France to assess drought severity. Drought accounts for approximately 30% of the indemnities paid under the French natural catastrophe insurance scheme. The proposed model, SwiGAN, simulates plausible drought propagation patterns up to 2050 for a region of France particularly exposed to this hazard. By generating realistic sequences of SWI maps, SwiGAN provides insights into drought dynamics under climate change scenarios and supports the design of adaptive risk management and insurance strategies. The methodology is also generalizable to other climate-related perils and actuarial applications such as economic scenario generation.

We propose a distributionally robust approach to risk-sensitive estimation of an unknown signal x from an observed signal y. The observation and unknown signal are modeled as random vectors whose joint probability distribution is unknown, but assumed to belong to a given type-2 Wasserstein ball of distributions, termed the ambiguity set. The performance of an estimator is measured according to the conditional value-at-risk (CVaR) of the squared estimation error. Within this framework, we study the problem of computing affine estimators that minimize the worst-case CVaR over all distributions in the given ambiguity set. As our main result, we show that, when the nominal distribution at the center of the Wasserstein ball is finitely supported, such estimators can be exactly computed by solving a tractable semidefinite program. We evaluate the proposed estimators on a wholesale electricity price forecasting task using real market data and show that they deliver lower out-of-sample CVaR of squared error compared to existing methods.

We introduce the Tan-HWG framework (Hebbian-Wasserstein-Geometry), a geometric theory of Hebbian plasticity in which memory states are modeled as probability measures evolving through Wasserstein minimizing movements. Hebbian learning rules are formalized as Hebbian energies satisfying a sequential stability condition, ensuring well-posed fiberwise JKO updates, optimal-transport realizations, and an energy descent inequality. This variational structure induces a fundamental separation between internal and observable dynamics. Internal memory states evolve along Wasserstein geodesics in a latent curved space, while observable quantities, such as effective synaptic weights, arise through geometric projection maps into external spaces. Simplicial projections recover classical affine schemes (including exponential moving averages and mirror descent), while revealing synaptic competition and pruning as geometric consequences of mass redistribution. Hilbertian projections provide a geometric account of phase alignment and multi-scale coherence. Classical neural networks appear as flat projections of this curved dynamics, while the framework naturally accommodates richer distributional representations, including structural weights and embedding memories, and their spectral extensions in complex internal spaces. Under mild Lipschitz regularity assumptions, including a quasi-stationary "sleep-mode" regime, we establish the existence of continuous-time limit curves. This yields a variational formulation of memory consolidation as a perturbed Wasserstein gradient flow. The framework thus provides a unified geometric foundation for synaptic plasticity, representation dynamics, and context-dependent computation.

We present a geometric framework for Reinforcement Learning (RL) that views policies as maps into the Wasserstein space of action probabilities. First, we define a Riemannian structure induced by stationary distributions, proving its existence in a general context. We then define the tangent space of policies and characterize the geodesics, specifically addressing the measurability of vector fields mapped from the state space to the tangent space of probability measures over the action space. Next, we formulate a general RL optimization problem and construct a gradient flow using Otto's calculus. We compute the gradient and the Hessian of the energy, providing a formal second-order analysis. Finally, we illustrate the method with numerical examples for low-dimensional problems, computing the gradient directly from our theoretical formalism. For high-dimensional problems, we parameterize the policy using a neural network and optimize it based on an ergodic approximation of the cost.

Ollivier-Ricci curvature (ORC), defined via the Wasserstein distance that captures rich geometric information, has received growing attention in both theory and applications. However, the high computational cost of Wasserstein distance evaluation has significantly limited the broader practical use of ORC. To alleviate this issue, previous work introduced a computationally efficient lower bound as a proxy for ORC based on 1-hop random walks, but this approach empirically exhibits large gaps from the exact ORC. In this paper, we establish a substantially tighter lower bound for ORC than the existing lower bound, while retaining much lower computational cost than exact ORC computation, with practical speedups of tens of times. Moreover, our bound is not restricted to 1-hop random walks, but also applies to k-hop random walks (k > 1). Experiments on several fundamental graph structures demonstrate the effectiveness of our bound in terms of both approximation accuracy and computational efficiency.

Quantum generative modeling is a rapidly evolving discipline at the intersection of quantum computing and machine learning. Contemporary quantum machine learning is generally limited to toy examples or heavily restricted datasets with few elements. This is not only due to the current limitations of available quantum hardware but also due to the absence of inductive biases arising from application-agnostic designs. Current quantum solutions must resort to tricks to scale down high-resolution images, such as relying heavily on dimensionality reduction or utilizing multiple quantum models for low-resolution image patches. Building on recent developments in classical image loading to quantum computers, we circumvent these limitations and train quantum Wasserstein GANs on the established classical MNIST and Fashion-MNIST datasets. Using the complete datasets, our system generates full-resolution images across all ten classes and establishes a new state-of-the-art performance with a single end-to-end quantum generator without tricks. As a proof-of-principle, we also demonstrate that our approach can be extended to color images, exemplified on the Street View House Numbers dataset. We analyze how the choice of variational circuit architecture introduces inductive biases, which crucially unlock this performance. Furthermore, enhanced noise input techniques enable highly diverse image generation while maintaining quality. Finally, we show promising results even under quantum shot noise conditions.

Constant-stepsize stochastic approximation (SA) is widely used in learning for computational efficiency, yet the distribution of the iterates is typically intractable. Classical asymptotics results give $X_k^{(α)} \approx X^{(α)} \approx x^\star+\sqrtαY$, where $X^{(α)}$ is the steady state and $Y$ is an appropriate Gaussian limit, by progressively taking the time $k\uparrow\infty$ and stepsize $α\downarrow0$. Such limit results, however, do not quantify finite-time, finite-stepsize errors. We develop an explicit pre-limit characterization for SA with i.i.d.\ and Markovian noise. We establish existence and uniqueness of the stationary law, a geometric Wasserstein convergence to stationarity, and almost-sure and $L^3$ convergence of the steady state to the root $x^\star$, identifying the scale $\sqrtα$ as first-order fluctuation. At this scale, we derive a higher-order quantitative Gaussian approximation with a Wasserstein error, using Stein's method and Poisson equation techniques. We further obtain non-uniform Berry--Esseen-type tail bounds, incorporating both steady-state approximation and finite-time convergence errors. We instantiate the theory for strongly convex smooth SGD, linear SA, and nonlinear contractive SA. Beyond strong convexity, for general convex SGD, we identify a Gibbs limiting law and prove a pre-limit Wasserstein approximation error under stability and Stein-equation hypothesis, which are validated numerically.

We study the slice-matching scheme, an efficient iterative method for distribution matching based on sliced optimal transport. We investigate convergence to the target distribution and derive quantitative non-asymptotic rates. To this end, we establish Lojasiewicz-type inequalities for the Sliced-Wasserstein objective. A key challenge is to control along the trajectory the constants in these inequalities. We show that this becomes tractable for Gaussian distributions. Specifically, eigenvalues are controlled when matching along random orthonormal bases at each iteration. We complement our theory with numerical experiments and illustrate the predicted dependence on dimension and step-size, as well as the stabilizing effect of orthonormal-basis sampling.

Understanding the distributional structure of high-dimensional datasets has become an important topic, yet direct visual characterization is difficult. In this work, we develop a geometric framework for characterizing the distributional structure of empirical datasets by quantifying their deviation from the Gaussian family under the geometry induced by optimal transport theory. Building on the cone structure of the relative translation invariant quadratic Wasserstein $(RW_2)$ space, we define two geometric quantities---the \emph{relative Wasserstein angle} and the \emph{orthogonal projection distance}---and show that they are well-defined because of the flat geometry of the filling cone between distributional rays. This formulation recasts the problem of measuring deviation from the Gaussian family as an orthogonal projection problem onto the Gaussian cone and reveals that the commonly used moment-matching Gaussian is, in general, not the $W_2$-nearest Gaussian to a non-Gaussian distribution. In one dimension, we derive closed-form expressions for the proposed quantities and extend closed-form expressions to several other location--scale families, including uniform, Laplace, and logistic distributions. In higher dimensions, we develop a numerical approximation method for the proposed quantities based on empirical optimal transport and covariance-shape optimization. Our experimental results show the empirical convergence and stability of the proposed methods and reveal that the $RW_2$ angle provides a robust and consistent measure of distributional non-Gaussianity. Moreover, these results provide empirical support for its potential use as an indicator of distributional heterogeneity.

Distributionally robust optimization (DRO) is widely used for decision-making under uncertainty, but its adversarial focus on worst-case loss can lead to overly conservative policies. To mitigate this, we study ex-ante Distributionally Robust Regret Optimization (DRRO) with Wasserstein ambiguity sets, designed to balance robustness with upside potential. We develop a theory of Wasserstein DRRO (WDRRO) paralleling Wasserstein DRO. Under smoothness and regularity, WDRRO selects among ERM optima by a first-order gradient-discrepancy rule. If the ERM optimizer is unique, first-order sensitivity vanishes and a second-order expansion governs deviations. For convex quadratics ERM and DRRO coincide for any radius. We then study regimes where these assumptions fail: nondifferentiable max-affine losses, discrete references, and larger radii, where WDRRO can differ from ERM and WDRO. We show that computing WDRRO regret is NP-hard even without bilinear terms. Nevertheless, we develop exact algorithms, a tractable convex relaxation with guarantees, and experiments showing tightness and loss-dependent behavior.

Motivated by the rapidly growing field of mathematics for operator approximation with neural networks, we present a novel universal operator approximation theorem for broad classes of encoder-decoder architectures and a wide range of input and output spaces. In this study, we focus on the approximation of continuous operators between infinite-dimensional normed or metric spaces in the topology of uniform convergence on compact sets. Unlike standard results in the operator learning literature, we additionally investigate the case where the approximating sequence of encoder-decoder architectures can be chosen independently of the compact sets. Taking a topological perspective, we point out that compact-set-independent approximation is a strictly stronger property in most relevant operator learning frameworks. To establish our results, we introduce new approximation properties of input and output spaces tailored to encoder-decoder architectures. These properties enable us to prove a universal operator approximation theorem ensuring uniform convergence on every compact subset of the input space. Our results unify and extend existing universal operator approximation theorems for various encoder-decoder architectures, including classical DeepONets, BasisONets, MIONets, architectures based on frames and other related approaches. A notable feature of our framework is that it also applies to metric spaces beyond the normed setting. In particular, it allows the consideration of $p$-Wasserstein spaces of probability measures as input or output spaces, and Skorohod spaces of càdlàg functions as input spaces. This generality also opens up potential applications in optimal transport.

We study a class of stochastic nonsmooth optimization problems in which an outer variable minimizes the expectation of a pointwise maximum. This minimization--expectation--maximization (minEmax) problem arises in Wasserstein distributionally robust optimization and adversarially robust training, and it cannot in general be reformulated as a finite-dimensional minimax problem when the underlying distribution is not empirical. We propose a stochastic smoothing proximal gradient method based on log-mean-exp smoothing of the value function. Under compactness and Lipschitz-type assumptions, we present nonasymptotic analysis in terms of Goldstein stationarity and show that every almost-sure cluster point generated by our method is a Clarke stationary point; by Clarke regularity, such a point is also directional stationary for the original problem. Numerical experiments on newsvendor, robust regression, and adversarially robust learning problems show that the proposed method is competitive with existing baselines.

We study distributionally robust optimization (DRO) for robust inference when the worst-case distribution is continuous, leading to significant computational challenges due to the infinite-dimensional nature of the optimization problem. Unlike traditional discrete DRO approaches, which often suffer from scalability issues, limited generalization, and costly worst-case inference, our framework exploits Brenier's theorem to characterize the least favorable distribution as the pushforward of a transport map from a continuous reference measure. This characterization motivates our study of the minimax problem in Wasserstein space. We propose an iterative algorithmic framework with multiple variants and establish global convergence guarantees under mild assumptions, deriving complexity bounds in terms of subgradient evaluations and inexact Jordan-Kinderlehrer-Otto updates. Numerical results with neural network-based transport maps demonstrate that the proposed method enables both stable training of robust classifiers and effective worst-case inference for classification tasks.

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.

We introduce a novel Wasserstein-1 ($W_1$) path-space divergence for stochastic and deterministic dynamics and establish a Wasserstein Uncertainty Propagation (WUP) theorem that bounds the $W_1$ distance between terminal distributions by the proposed divergence, equivalently characterized by a weighted $L^2$ discrepancy between the underlying drifts and the $W_1$ distance between their initial measures. A key ingredient is a probabilistic framework combining adjoint Feynman-Kac representations with synchronous coupling (and reflection coupling on bounded domains), yielding Wasserstein stability estimates beyond existing PDE- and Girsanov-based approaches. The framework accommodates time-varying and possibly degenerate diffusion coefficients, empirical and singular measures, and remains valid in the deterministic limit of flow matching. Unlike KL-based uncertainty quantification bounds, it does not require absolute continuity of path measures and therefore remains well-defined in singular settings. As consequences of the WUP theorem, we derive $W_1$ robustness and generalization bounds for score-based generative models and flow matching at both population and finite-sample levels. We further specialize the framework to group-symmetric targets, providing the first error analysis of equivariant flow-based models and the first quantitative comparison between data augmentation and equivariant inductive bias. Our analysis identifies a symmetry-aware Wasserstein path-space divergence that quantifies the model-form error induced by non-equivariant parametrizations. We prove that this error cannot be removed by additional data or training and vanishes only under equivariant architectures, establishing a precise theoretical advantage of equivariant inductive bias over data augmentation. Numerical experiments on group-symmetric Gaussian mixtures corroborate the theory.

We study the approximation of probability measures in the Wasserstein-$p$ distance by structured classes of approximators, motivated by applications in imaging, machine learning, and physical measurement under sensor constraints. We obtain three sets of results. First, for measures with densities bounded away from zero on a bounded Lipschitz domain $Ω$, we prove that any approximation scheme for functions in $\mathrm{L}_p(Ω)$ transfers, with linear rate, to a corresponding approximation scheme for measures in $\mathrm{W}_p(Ω)$. The argument applies a theorem of Bogovskii on regularity of solutions to the continuity equation in the Benamou-Brenier formulation of optimal transport. We exhibit concrete approximation schemes (polynomials, shift-invariant spaces, cardinal interpolation with radial basis functions, kernel density estimators, and piecewise approximations on nonuniform Voronoi partitions) that fit the framework. As a matter of independent interest, we prove a negative Sobolev lower bound that generalizes existing bounds from $p=2$ to all $p\in(1,\infty)$. We also consider deterministic bounds for discrete approximations to arbitrary measures in terms of the mesh norm of a quasi-uniform set of points. We specialize these bounds to show that compactly supported measures admit a deterministic $N$-term approximation $μ_N$ such that $\mathrm{W}_p(μ,μ_N) = O(N^{-\frac{1}{d}})$ for all $d\geq 1$, which matches the asymptotic optimal quantizer rate. We also extend these results to non-compactly supported measures with appropriate tail decay.

Recent studies revealed the mathematical connection between deep neural networks (DNNs) and dynamic systems. However, the specific dynamics that DNNs, especially deep residual networks (ResNets), tend to learn during training remain insufficiently characterized. To this end, we model the forward propagation of deep residual networks using continuity equations, in which the measure is conserved and infinite curves in the measure space connect the input distribution to the output one of a ResNet. We find ResNets with $L_2$ regularization attempt to learn the geodesic curve in the Wasserstein space, induced by the optimal transport map. Compared with plain networks, ResNets can better approximate the geodesic curve, which explains why ResNets can be optimized and generalize better. Numerical experiments show that the data tracks of a ResNet tend to be line-shaped in terms of the line-shape score, and the map learned by a ResNet is closer to the optimal transport map in terms of the optimal transport score. In a word, we conclude that ResNets learn the geodesic curve in the Wasserstein space and discretely engineer the data transformation in high-dimensional spaces.

Reconstructing complex network topologies from data is a fundamental challenge in cybernetics and graph signal processing, with applications in neuroscience, sensor, and social networks. In practice, target-domain samples are scarce while heterogeneous source-domain data are abundant. Fusing these sources is challenging: Euclidean averaging works for homogeneous sources but degrades sharply as inter-source divergence grows, collapsing distinct geometries into an inflated, biased consensus. We exploit the Wasserstein metric's distribution-preserving properties to counter heterogeneity while preserving each source's intrinsic geometry. We propose MS-WDRO, a multi-source Wasserstein distributionally robust graph learning framework that fuses heterogeneous sources via their weighted Wasserstein barycenter, a geometrically principled nominal distribution, then builds an ambiguity ball around it to hedge residual uncertainty. Minimizing worst-case risk yields a tractable regularized Laplacian estimator solved efficiently via a provably convergent ADMM scheme. We establish non-asymptotic guarantees: a finite-sample concentration bound for the empirical barycenter, a pooling bias lower bound proving naive aggregation is suboptimal, and an out-of-sample excess risk bound decaying at a parametric rate with only logarithmic dependence on source count. To calibrate hyperparameters governing robustness, sparsity, and source fusion, we unroll the solver into a differentiable architecture trained end-to-end, achieving data-adaptive calibration beyond cross-validation while retaining interpretability. Experiments on synthetic benchmarks and the multi-site ABIDE~I neuroimaging dataset show MS-WDRO consistently outperforms seven baselines in graph recovery, sample efficiency, and downstream diagnostic utility, with the largest gains in the sample-scarce regime.