Langevin Dynamics

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.

Generative thermodynamic computers turn thermal noise into structured data through Langevin dynamics. We train these systems with a local update at each integration step. The reverse-path Onsager-Machlup objective yields a coupling gradient that is a symmetric sum of local residual-state correlations. We apply this gradient immediately rather than accumulating it over a full trajectory. In digital simulations using MNIST prototypes, online and trajectory-batch training reach similar validation losses on fixed noising paths. Models trained online release less heat on average in all five independently seeded pairs, with both models' parameters held fixed during sampling. Auxiliary classifier and nearest-prototype measures change modestly, while pairwise diversity decreases. The response to noise depends strongly on where the errors enter: independent zero-mean errors in the formed updates produce little heat change over a finite range of noise amplitudes, whereas residual offset and temporal correlation have much larger effects. Storing trained couplings requires substantially less precision than resolving deterministic updates during training. Together, these results establish a local online training method and show how update timing, noise structure, and precision affect generative thermodynamic computing.

We study the classical Moreau--Yosida unadjusted Langevin algorithm (MYULA) for $\pi(\,\mathrm{d} x)\propto e^{-f(x)-g(x)}\,\mathrm{d} x$, where $f\in C^2(\mathbb{R}^d)$ is $m$-strongly convex with $L_f$-Lipschitz gradient and $g:\mathbb{R}^d\to\mathbb{R}$ is convex and globally $G$-Lipschitz. For the Moreau-smoothed target $\pi_\lambda$ and the MYULA invariant law $\widehat\pi_{\lambda,h}$, we prove $$\sqrt m\,W_2(\pi_\lambda,\widehat\pi_{\lambda,h}) =O(h)+\widetilde O(h^{3/4})$$ under $0<h(L_f+\lambda^{-1})\le c$, with only logarithmic dependence on $\lambda^{-1}$ in the error coefficients. Combining this estimate with the Moreau approximation bias yields $\widetilde O(\varepsilon^{-4/3})$ iterations to achieve $\sqrt m\,W_2(\mu_N,\pi)\le\varepsilon$, for fixed model parameters and initialization. The proof combines a discrete Poisson corrector with active-trace estimates and a shared-noise bound for the exact--Euler two-point curvature.

A token's representation is carried through the network layer by layer. The whole vocabulary carried together forms a flow. We fit this flow's equation of motion as a discrete Langevin model over corpus-mean trajectories of Pythia-160M and Pythia-410M, and score the predicted steps on held-out tokens. Linear maps are often used as cheap surrogates for a layer. The flow they summarize is not linear: a quadratic drift beats the linear linear map at every transition of both models, and the Kramers--Moyal estimator agrees wherever its neighborhoods stay local. We then characterize the flow further. First, we show that it does not descend its own log-density. The drift instead descends a potential that is not the density. Second, the rotational component is not negligible, $4$ to $45\%$ of the explainable drift, and the circulation shows in what the flow preserves: a token keeps its angular rank across all thirteen layers while its norm rank is shuffled and its concentration rank is reversed by the last block.

We study the Moreau--Yosida unadjusted Langevin algorithm (MYULA) for the nonsmooth composite target $$π(dx)\propto \exp\{-f(x)-g(x)\}\,dx, \qquad x\in\mathbb R^d,$$ where $f$ is $m$-strongly convex with $L_f$-Lipschitz gradient and $g$ is convex and $G$-Lipschitz. Let $g_λ$ be the Moreau envelope of $g$, $π_λ$ the corresponding smoothed target, and $a_λ=\operatorname{tr}H_λ$, where $H_λ$ is the a.e./weak Hessian of $g_λ$. We show that the leading MYULA discretization error is controlled by the reference active trace $B_{\mathrm{ref}}$, the average of $a_λ$ along the heat substep of one MYULA update started from $π_λ$, rather than by the global curvature bound $d/λ$. If $M_λ$ is an a.e. upper bound for $a_λ$, then, up to logarithmic factors, $$N \lesssim \frac{1}{m} \left[ L_f + \frac{ τ_f+G^2+B_{\mathrm{ref}} }{ \varepsilon_{\mathrm{alg}}^2 } + \frac{M_λ}{\varepsilon_{\mathrm{alg}}} \right], \qquad τ_f:= \sup_x\operatorname{tr}\nabla^2 f(x),$$ iterations suffice to ensure $\sqrt m\,W_2(μ_N,π_λ)\leq\varepsilon_{\mathrm{alg}}$, where $μ_N$ is the law of the $N$-th iterate and $W_2$ is the quadratic Wasserstein distance. We also prove the Moreau-bias bound $$\sqrt m\,W_2(π_λ,π) \leq \frac{G^2λ}{4}.$$ Thus, choosing $λ\asymp\varepsilon/G^2$ gives an end-to-end guarantee for $π$. The universal estimate $B_{\mathrm{ref}}\leq d/λ$ yields $\widetilde O(\varepsilon^{-3})$ accuracy dependence. For the structured piecewise-linear, lasso-type, group, and total-variation penalties considered here, curvature--tube estimates make $B_{\mathrm{ref}}$ independent of $λ$, yielding $\widetilde O(\varepsilon^{-2})$ for the same classical MYULA kernel.

We study the problem of sampling from target distributions whose potentials are simultaneously non-smooth, subject to superlinear gradient growth, and non-convex. We introduce the Subgradient Tamed Unadjusted Langevin Algorithm (SG-TULA), a discretisation of the Langevin diffusion that operates directly on subgradients, without relying on computationally demanding smoothing procedures. To handle the superlinear regime, taming techniques are employed to produce a stable, explicit scheme. We derive non-asymptotic convergence bounds in Wasserstein-2 distance, with all constants tracked explicitly in terms of dimension and inverse temperature, improving upon the currently known rates for subgradient-based Langevin algorithms. We further provide excess risk estimates for the associated optimisation problem. We verify the assumptions, with explicit constants, for the regularized pretraining potential of a LLM in the GPT-2 lineage and the boosted coordinate-wise variant of SG-TULA pretrains the former competitively against finetuned AdamW and Muon, for which no comparable non-asymptotic guarantees are presently available.

Flow-based generative models are typically sampled by solving a deterministic ordinary differential equation (ODE), whereas online reinforcement learning requires stochastic rollouts for policy exploration and optimization. Existing GRPO methods for flow models therefore replace the inference-time ODE with a stochastic differential equation (SDE) during training. Although the ODE and SDE share the same marginal distributions in continuous time, their finite-step discretizations can differ substantially. In particular, SDE rollouts often become blurry as the exploration noise increases, creating a mismatch between the samples used for reinforcement learning and those generated by the test-time ODE sampler. We introduce LC-GRPO, a flow-based GRPO framework with Langevin correction. Each rollout transition first takes an inference-aligned ODE Euler step and then applies a stochastic Langevin correction targeting the marginal distribution at the resulting timestep. The required score is recovered directly from the flow velocity, requiring no additional score model, while the resulting transition remains an isotropic Gaussian with a tractable likelihood for policy optimization. We theoretically show that, under suitable conditions, one Langevin correction step reduces the Wasserstein error of an imperfect ODE Euler step. At a matched randomness level, we further show that the proposed transition can be more accurate than the standard Euler--Maruyama discretization of the reverse SDE. Experiments on SD3.5-Medium, FLUX.1-Dev, and HunyuanVideo demonstrate that LC-GRPO consistently improves reward optimization across text-to-image and text-to-video tasks, preserves generation quality, and substantially narrows the gap between stochastic training rollouts and deterministic test-time ODE inference.

We develop a class of diffusion-based stochastic particle optimisation methods for loss functions with intractable gradients. Specifically, we consider problems in which the loss gradient is an integral with respect to a parameter-dependent distribution, a structure that includes training generative models, fine-tuning, and learning latent-variable models. We introduce mean-field dynamics and its interacting-particle approximations, which contain several existing algorithms as special cases and provides a route to constructing new methods. Under well-posedness and joint contractivity assumptions, we prove exponential convergence and show that the continuous-time particle system admits a non-asymptotic error bound. We illustrate it by developing momentum and higher-order Langevin variants and evaluating them on maximum marginal-likelihood estimation and energy-based-model training.

We provide new estimates in Wasserstein distance for the asymptotic bias of the unadjusted Langevin algorithm, in the classical setting of log-smooth strongly log-concave measures. Our bound implies a Wasserstein mixing time of order $κ\sqrt{d}/\varepsilon$, where $κ$ is the condition number, $d$ is the dimension, and $\varepsilon$ is the target precision: this improves by a factor of $\sqrt{d}/\varepsilon$ over the previous state-of-the-art results.

We formulate a statistical physics framework to model a networked stochastic dynamical system exhibiting bistability, driven by additive noise and social conformity. We apply this model to understand and mitigate AI-induced delusional spiraling-a phenomenon where algorithmic sycophancy from Large Language Models continuously reinforces inaccurate beliefs within a socially interacting society. By partitioning the network into a majority of regular agents and a minority of "aware" nodes (Teachers) placed at topological hubs, we use a degree-weighted mean-field approximation to reduce high-dimensional coupled Langevin equations into a single macroscopic drift equation. We provide a closed-form analytical derivation for the deterministic critical tipping time through a saddle-node bifurcation. We validate this analytical boundary using finite-size scaling and demonstrate a universal data collapse across diverse network topologies. Finally, we optimize an intervention strategy under a strict budget constraint that balances the topological footprint against driving velocity. We prove mathematically that under certain conditions, a highly concentrated, rapid intervention targeting massive hubs strictly outperforms a distributed, slow approach to rescue the network.

To address the escalating energy and latency demands of machine-learning workloads, we introduce a blueprint for an energy-efficient and fast thermodynamic computing stack that leverages stochastic analog processes in physical hardware. In this work, we focus on energy-based thermodynamic computing where the stochastic process is well described by Langevin dynamics with tunable energy potentials. The implementation of such potentials in physical hardware enables us to generate and sample from basic parameterized energy-based models. We demonstrate how to construct and train popular classes of machine learning models based on these hardware-native energy-based models, using the framework of probabilistic graphical models. We analyze the runtime and energy consumption of different models in this thermodynamic paradigm based on theoretical considerations and numerical studies. As a preliminary experimental realization of such hardware, we present our stochastic analog superconducting circuits driven by thermal noise. Together, these results outline a path toward energy-efficient thermodynamic hardware for probabilistic machine learning.

Unadjusted samplers such as unadjusted Hamiltonian Monte Carlo and underdamped Langevin are well-known to be biased. Metropolis--Hastings adjustment has been conventionally incorporated into Hamiltonian Monte Carlo to eliminate the bias. However, this adjustment can significantly increase the iteration complexity due to the small step size required for reasonable Metropolis acceptance rates. In this work, we extend the \emph{delocalization of bias} phenomenon, previously established for the overdamped Langevin algorithm, to these two unadjusted algorithms. We show that to control the $W_2$ bias of any $K$-dimensional marginal of a high-dimensional distribution, $O(\sqrt{K})$ integration steps suffice up to $\log d$ terms, assuming either weak or sparse interactions among variables. The discrete-time integrators here introduce technical difficulties beyond those of the overdamped setting, which we address through a broadly applicable matrix-polynomial framework that characterizes their propagators. Our result for the underdamped Langevin algorithm is valid for all large friction parameters, implying that the Leimkuhler-Matthews integrator for the overdamped Langevin dynamics also exhibits delocalization of bias.

Stein variational gradient descent (SVGD) transports interacting particles toward a target distribution through deterministic kernelized dynamics. Singular Riesz kernels are attractive because they can provide quantitative population-level convergence, but at the finite-particle level the corresponding Stein energy has infinite self-interaction. We study periodic Riesz SVGD with self-interaction removed and prove a many-particle, long-time sampling theorem. Throughout the range in which the singular Stein energy is locally integrable, under a uniform bound on the initial relative entropy per particle, the time-averaged empirical-measure law converges weakly to the point mass $δ_π$ at the target as the particle number and any diverging averaging horizon tend to infinity. We also show that the empirical-measure laws induced by invariant particle laws of finite relative entropy converge weakly to $δ_π$, without a uniform entropy bound. Below the logarithmic singularity threshold, we obtain an explicit algebraic finite-particle error bound. These results extend the joint-entropy approach for smooth-kernel SVGD to singular interactions.

Nonlinear thermodynamic computers based on Langevin dynamics exploit thermal fluctuations as a physical substrate for computation. Recent work has shown that quartic-confined fluctuating degrees of freedom can act as thermodynamic neurons capable of nonlinear function approximation at finite observation times. Here we extend this paradigm from mean-only readout to moment-resolved readout. Instead of representing each driven reservoir solely by its first moment, we construct a response vector from the elementwise raw polynomial moments $\mathbb{E}[\bm{x}]$, $\mathbb{E}[\bm{x}^{\odot 2}]$, and $\mathbb{E}[\bm{x}^{\odot 4}]$. These observables combine displacement and central-shape contributions and are naturally aligned with the linear, quadratic, and quartic terms of the local driven dynamics. We further introduce a heterogeneous multi-reservoir architecture in which three reservoirs with distinct initialization and training histories form a joint $2304$-dimensional response representation. Under the fixed MNIST $60000/10000$ reproduction protocol, feature-level fusion achieves the best observed accuracy of $9695/10000=96.95\%$, compared with $9682/10000=96.82\%$ for the strongest single-reservoir model and $9684/10000=96.84\%$ for equal-weight logit averaging. An exact paired McNemar test does not establish a statistically significant improvement over the strongest single reservoir, but the ablation and wrong-set overlap results provide suggestive evidence of complementary classification errors. These results motivate higher-order polynomial-moment readout and reservoir heterogeneity as candidate design principles for finite-time Langevin computing.

Training a model with noisy gradient descent can be idealized as overdamped Langevin dynamics, and a natural safety question is to bound the probability $ν_t(\mathcal{A}_H) = \mathbb{P}(Q_t \in \mathcal{A}_H)$ that the trajectory lies in a designated failure region $\mathcal{A}_H$. We study this for a smooth, strongly convex loss in $d$ dimensions, with $\mathcal{A}_H$ separated from the minimizer by an energy gap. At the end of training, the equilibrium mass $π(\mathcal{A}_H)$ is exponentially small in $d$, with a complementary energy-barrier rate when the noise is small. Along the trajectory, a shape-free bound $ν_t(\mathcal{A}_H) \le π(\mathcal{A}_H)(1 + \sqrt{χ_0^2/π(\mathcal{A}_H)}\,e^{-mt})$ shows the in-set probability relaxes to (twice) the static value after a burn-in of order $d$, using only the global spectral gap $m$. A worked Ornstein-Uhlenbeck example shows this burn-in is necessary: an angular slice of the equilibrium shell can transiently swell by a factor exponential in $d$, though its equilibrium mass is tiny. To rule this out we introduce a local relaxation rate, defined through the spectral measure of the region's centered indicator rather than a Dirichlet-form Rayleigh quotient. For geometrically isolated regions this rate exceeds the global one, shrinking the burn-in, and with a maximum-principle ceiling it caps the trajectory probability uniformly in time. Strong convexity sets how fast training relaxes, but the shape of the unsafe set decides whether the trajectory bulges through it on the way to equilibrium.

Diffusion models (DMs) are a state-of-the-art generative method to approximately sample from an unknown distribution. Their training and evaluation primarily rely on an Evidence Lower Bound (ELBO), which relates the Kullback-Leibler (KL) divergence of model samples to the score matching loss along the path, which serves as a tractable surrogate. The difference between sample quality and the score matching loss produced by this bound leads to the \emph{score matching gap}, which is known to be tight in the worst-case but not descriptive of sample quality in general. In this work, we provide a theoretical analysis of this gap, developing tighter bounds for three metrics: KL divergence, reverse KL divergence, and Wasserstein distance, effectively exploiting the regularity of the class of score estimators. Our results suggest that the quality of the score approximation has more impact on closing the score matching gap for low noise scales. To obtain these bounds, our key technical insight is to exploit the contraction properties of the backward processes. In particular, we rely on entropy flows, logarithmic Sobolev inequalities and reflection couplings, rigorously linking the ergodicity of the Langevin diffusion to the score matching gap problem.

We study the leading-order fluctuation of stochastic gradient Euler-Maruyama estimators for generalized non-reversible Langevin dynamics. Under structural assumptions tailored to the small-stepsize central limit theorem and under an unbiased stochastic gradient oracle, we prove that the empirical average over a horizon of order the inverse squared stepsize satisfies a central limit theorem in the vanishing-stepsize regime. The limiting variance is characterized through the Poisson equation of the limiting full-gradient diffusion. We then rewrite this constant in an operator form that links it to the continuous-time asymptotic variance and, under standard operator-theoretic assumptions, derive a sufficient condition under which an anti-symmetric perturbation strictly reduces the leading-order fluctuation constant relative to the reversible baseline. We also identify bounded smooth predictive observables that re directly covered by the main theorem. As a separate Gaussian calculation beyond the bounded-test-function regime, we obtain closed-form formulas for quadratic Hamiltonians and linear observables. The framework covers non-reversible Langevin dynamics and augmented-state examples including Hessian-free high-resolution dynamics and a positive-definite subclass of gradient-adjusted underdamped Langevin dynamics that allow stochastic gradients. Numerical experiments on basic examples and Bayesian linear regression using synthetic data, and Bayesian logistic regression using real data support the predicted Gaussian fluctuations and show that the non-reversible schemes consistently reduce the root mean squared error (RMSE) relative to their reversible baselines.

We introduce an accelerated Langevin-based sampling method that is based on two complementary devices: \emph{SamAdams} adaptive timestepping, which automatically shrinks the effective integration step in stiff regions of phase space using a relaxed stiffness monitor, and \emph{position-adaptive Langevin} (PAL) dynamics, which concentrates friction along the local force direction while preserving the canonical distribution as the exact invariant measure. The resulting combined scheme (SA-PAL) is implemented in a palindromic integrator which requires only one force evaluation per iteration through suitable organisation of the integration steps and by exploiting the rank-one-plus-scalar structure of the PAL friction tensor. We test the method on various model problems: the Rosenbrock function, a thin entropic channel, the Mueller-Brown potential, and a Bayesian parameterisation problem with a sparsity-inducing shrinkage prior. On the Rosenbrock and Mueller-Brown potentials mixing rates are improved by 1.5-3 times compared to fixed stepsize integration. Efficiency gains of more than an order of magnitude are documented in the other examples.

Stochastic gradient Langevin algorithms often use tamed denominators to stabilize superlinear drifts. This paper shows that when the denominator depends on the current stochastic gradient, the transformed update can have a biased conditional mean even if the original stochastic gradient is unbiased. This creates a stationary mean-shift channel that is absent for deterministic denominators.We propose a structure-preserving framework for designing tamed denominators. The construction keeps the denominator deterministic given the current state, and uses localized deterministic envelopes to avoid unnecessary taming in typical regions. These kernels retain the stabilizing effect of taming while avoiding the bias introduced by a gradient-dependent denominator. Our theory bounds the stationary bias through Euler, envelope, and stochastic-gradient residuals. The analysis also shows why purely local taming rules can lose control in the far tail and motivates a hybrid construction with additional tail protection. Experiments confirm the stationary distortions of random denominators, the bias reduction of deterministic-envelope designs, and the stabilizing effect of the hybrid construction.

Molecular dynamics (MD) is a key tool for simulating the dynamical behavior of atomic systems. However, MD is inherently serial, which makes it difficult to increase single-system throughput with concurrent compute. To address this, we introduce Langevin Speculative Dynamics (LSD), a distributed and model-agnostic speculative sampler for accelerating MD without adding relative error. Inspired by speculative methods in language and diffusion modeling, LSD uses a draft model to propose fast simulation steps and verifies them in parallel with a slower target model, applying a transport map from the draft to the target distribution. We extend speculative sampling to second-order Langevin dynamics, derive the achievable speedup as a function of physical parameters, show that LSD generalizes across different systems and draft-target combinations with a 3-9x speedup, and confirm theoretically and empirically that LSD samples trajectories from its target model distribution.

Despite the remarkable fidelity of generative models, they frequently suffer from mode collapse. Existing strategies for enhancing diversity predominantly focus on intervening during the generation trajectory. We identify a critical oversight that the standard Gaussian initialization often causes trajectories to collapse into dominant modes because it is agnostic to the guidance potential landscape. In this work, we formulate selecting the initial noise from a guidance potential posterior, which effectively re-weights the prior towards diversity-rich regions. To sample from this distribution efficiently, we introduce Diversity-inducing Initialization (DivIn), which leverages Langevin dynamics to actively navigate the initialization landscape, steering initial noise away from collapsing regions while anchoring them to the valid data manifold. Our method serves as an inference-time diversity enhancement compatible with both diffusion and flow matching models. Extensive experiments show that DivIn exhibits a superior performance in both class-to-image and text-to-image scenarios. Furthermore, we highlight that as DivIn is orthogonal to trajectory-based methods, combining them significantly expands the diversity-quality Pareto frontier beyond what either achieves in isolation.

We establish improved nonasymptotic bounds for Langevin Monte Carlo in the strongly log-concave setting, when the error is measured by the Wasserstein distance. The main result shows that the discretization error is governed by an average coordinate-wise smoothness constant, rather than by the usual global smoothness constant. The proof is short and probabilistic, and relies on a refined use of the synchronous coupling. We further show that the same ideas lead to improved bounds for variable step sizes, for potentials whose Laplacian is Lipschitz-continuous, and for finite-sum problems sampled by stochastic-gradient Langevin dynamics with fixed point control variates. In the Laplacian-smooth case, the usual Hessian-Lipschitz contribution is replaced by a weaker trace-type third-order smoothness quantity. In the finite-sum setting, the resulting SGLD bound improves the dependence on the root mean square smoothness of the component functions. Applications to generalized linear models with Gaussian design show that these refinements can yield substantial, dimension-dependent improvements over previously known bounds, especially for correlated covariates.

Several important learning tasks can be formulated as minimizing an entropy-regularized objective over an appropriate space of probability distributions. Mean-field Langevin dynamics (MFLD) facilitate computation in this general context, casting the minimizer as the invariant distribution of a McKean--Vlasov process, which can be numerically discretized using $N$ particles and thus simulated. However, simulating this interacting particle system has computational complexity of order $N^2$. Motivated by recent research into \emph{kernel thinning}, we propose \texttt{KT-MFLD}, in which each particle interacts only with a thinned particle coreset of size $\mathcal{O}(N^{\frac{1}{2}})$. \texttt{KT-MFLD} thus reduces the computational complexity to order $N^{\frac{3}{2}}$ while, under mild regularity conditions, achieving the same convergence guarantees (up to logarithmic factors) as MFLD. Our theoretical analysis is empirically confirmed on tasks including the training of student-teacher neural networks, quantization with maximum mean discrepancy, and computation of predictively-oriented posteriors in a post-Bayesian framework.

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.

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 $V$ and $V^{\prime}$, 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.

Stochastic Gradient Descent (SGD) is commonly modeled as a Langevin process, assuming that minibatch noise acts as Brownian motion. However, this approximation relies on a continuous-time limit and a sqrt(eta) noise scaling that does not match the discrete SGD update at finite learning rate. In this work, we propose an alternative formulation of SGD as deterministic dynamics in a fluctuating loss landscape induced by minibatch sampling. Starting directly from the discrete update, we derive a master equation for the parameter distribution and obtain a discrete Fokker--Planck equation that differs from the standard Langevin form at order eta^2. Using this framework, we analyze SGD dynamics near critical points of the loss. We show that the behavior decomposes along the eigenbasis of the mean Hessian into qualitatively distinct regimes. In particular, nearly-flat directions do not admit a stationary distribution: the variance grows over time, corresponding to effective diffusion along valleys with a coefficient proportional to the learning rate. We provide empirical evidence supporting these predictions on neural network models in computer vision and natural language processing, observing a clear qualitative separation between confined and diffusive modes.

Compositional score-based approaches to simulation-based inference (SBI) approximate the posterior over a shared parameter given $n$ independent observations by aggregating individually learned posterior scores: currently, there are two main propositions of such methods (Geffner et al. (2023), Linhart et al. (2026)). As the resulting composite score does not correspond to the score of any distribution along the forward diffusion path of the true multi-observation posterior, sampling from it via a reverse SDE leads to an irreducible bias. Annealed Langevin dynamics provides a principled alternative: it treats the composite score as the genuine score of a sequence of tractable bridging densities and samples from them in succession. When properly tuned, it could lead to a controllable bias. However, its hyperparameters, namely step sizes, the number of steps per level, and the number of annealing levels, have so far been chosen empirically. We derive Wasserstein bounds for annealed Langevin with approximate scores and translate them into explicit decision rules for these hyperparameters that guarantee a prescribed sampling accuracy, while highlighting different theoretical aspects of each composite score formulation. In the Gaussian setting, we obtain closed-form expressions for all relevant quantities and prove that the bridging densities of Linhart et al. (2026) consistently admit larger step sizes and require fewer total Langevin steps than those of Geffner et al. (2023). Furthermore, we show empirically that the tuning obtained in the Gaussian setting generalizes to more complex problems, thus providing a well-understood and theoretically grounded starting point for practitioners using compositional score-based approaches.

Diffusion/score-based models have emerged as powerful generative models, capable of generating high-quality samples that mimic the training data distribution. However, it has been observed that they are prone to reproducing training samples-known as "memorization"-potentially violating copyright and privacy. In this paper, we study the effect of Higher-Order Langevin Dynamics (HOLD) on this phenomenon. HOLD diffusion processes introduce auxiliary variables; if the data variable is interpreted as "position," then the auxiliary variables can be interpreted as "velocity" and "acceleration," depending on the chosen order of the model. They were originally proposed based on the intuition that they regularize the trajectories of the data variable by implicitly imposing additional dynamical constraints. Our work provides, to our knowledge, the first theoretical characterization of the regularization effect of HOLD. Specifically, we show that in HOLD, the dynamics of the data variable are governed by a low-pass-filtered version of the learned score function, with smoothness increasing with the order of HOLD. We then analyze the optimal empirical score and the possibility of distribution collapse. Together, our results explain the mitigation of memorization as the model order increases. Finally, we present an empirical study on real-world data that supports our theory and highlights this distinct advantage of HOLD over standard diffusion in practice.

Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and long-term behavior. However, dynamical operators are typically estimated independently for each system, preventing the discovery of shared structure across related dynamics. To address this limitation, we posit that related dynamical systems lie near a low-dimensional manifold in spectral operator space. Based on this hypothesis, we introduce DOODL (Dynamical OperatOr Dictionary Learning), a framework that learns a dictionary of characteristic spectral dynamics whose combinations approximate this manifold and yield compact, interpretable embeddings of individual systems. Beyond representation learning, DOODL enables fast and interpretable operator estimation from short and partially observed trajectories by constraining the estimation to the learned operator manifold. Experiments on metastable Langevin dynamics and turbulent plasma simulations demonstrate that DOODL scales to highly complex multiscale regimes while capturing characteristic spectral structure governing the dynamics rather than merely fitting trajectories, achieving errors one to two orders of magnitude lower than independent operator estimation methods in challenging low-data regimes.

Diffusion and flow-based models are ubiquitously used for generative modelling and density estimation. They admit a deterministic probability flow ordinary differential equation (PF-ODE), analogous to continuous normalizing flows (CNFs), which describes the transport of the probability mass. Obtaining the likelihood from these models is of interest to many workflows, especially Bayesian analysis, and requires solving the trace of the Jacobian to compute the divergence of the learned PF-ODE, which is either $\mathcal{O}(D^2)$ to compute exactly or $\mathcal{O}(D)$ with a noisy estimate. We introduce StAD, a new distillation method to predict and learn the divergence of the PF-ODE using the Langevin-Stein operator without ever computing the Jacobian. We show that our method is competitive with the Hutchinson and Hutch++ on CIFAR-10, ImageNet and other density estimation tasks, consistently improving the variance and speed of the likelihood predictions compared to the Hutchinson. We additionally show our method will generalize to a varied class of generative models, and show that under some regularity conditions these learned vector fields can be made to satisfy the Stein class.

Obtaining stable diffusion-based samplers in high- and infinite-dimensional settings is challenging because errors can accumulate across high-frequency coordinates and make the dynamics unstable under refinement of the finite-dimensional approximation of the underlying function-space problem. Discretization is a typical source of such errors, and preconditioning with a suitable spectral decay is one way to control their accumulation. In this paper, we study this problem for preconditioned annealed Langevin dynamics (ALD) applied to Gaussian mixtures. We first show that Euler-Maruyama (EM) discretization, by treating the stiff linear part of the annealed score with a forward Euler step, imposes a stability constraint coupling the preconditioner with the annealed covariance scale. Together with the conditions ensuring dimension-uniform control of the annealed dynamics, this constraint forces the initial smoothed law to remain uniformly close to the target across dimensions. We then consider an exponential-integrator scheme that integrates the stiff linear part of the annealed score exactly. Under explicit spectral summability conditions coupling the smoothing covariance, the component covariance spectra, and the preconditioner, we prove a dimension-uniform Kullback-Leibler (KL) bound for this scheme. This bound can be made arbitrarily small, uniformly in dimension, by allowing enough time for annealing and then refining the time mesh accordingly. Importantly, these conditions allow regimes in which the KL divergence between the target and the initial smoothed law diverges with dimension, showing that the restrictions imposed by EM are scheme-dependent rather than intrinsic to ALD.

We study the query complexity of obtaining a relative Fisher information guarantee for sampling from a log-smooth non-log-concave distribution; this is a sampling analog of finding an approximate stationary point in optimization. Our algorithm is based on the proximal sampler, which is an implicit discretization of the Langevin diffusion, and requires an implementation of the backward step known as the restricted Gaussian oracle (RGO). We show that by leveraging the recent results for log-concave sampling with high-accuracy guarantees in Rényi divergence, we can obtain an approximate RGO implementation that -- when used with the proximal sampler -- yields a complexity guarantee in relative Fisher information that inherits the same dimension dependence as log-concave sampling, and improves upon prior work for non-log-concave sampling. We also show a converse reduction that any improvement in the dimension dependence in relative Fisher information for non-log-concave sampling will yield an improved dimension dependence for high-accuracy log-concave sampling.

Diffusion models generate samples by denoising along the score of a perturbed target distribution. In practice, one trains a neural diffusion model, which is computationally expensive. Recent work suggests that score matching implicitly smooths the empirical score, and that this smoothing bias promotes generalization by capturing low-dimensional data geometry. We propose moment-matched score-smoothed overdamped Langevin dynamics (MM-SOLD), a training-free interacting particle sampler that enforces the target moments throughout the sampling trajectory. We prove that, in the large-particle limit, the empirical particle density converges to a deterministic limit whose one-particle stationary marginal is a Gibbs--Boltzmann density obtained by exponentially tilting a naive score-smoothed diffusion target. The mean and covariance of this distribution agree with the empirical moments of the training data. Experiments on 2D distributions and latent-space image generation show that MM-SOLD enables fast, robust, training-free sampling on CPUs, with sample fidelity and diversity competitive with neural diffusion baselines.

Existing reward alignment methods for diffusion and flow models rely on multi-step stochastic trajectories, making them difficult to extend to deterministic generators. A natural alternative is noise-space optimization, but existing approaches require backpropagation through the generator and reward pipeline, limiting applicability to differentiable settings. To address this, here we present ZeNO (Zeroth-order Noise Optimization), a gradient-free framework that formulates noise optimization as a path-integral control problem, estimable from zeroth-order reward evaluations alone. When instantiated with an Ornstein--Uhlenbeck reference process, the update connects to Langevin dynamics implicitly targeting a reward-tilted distribution. ZeNO enables effective inference-time scaling and demonstrates strong performance across diverse generators and reward functions, including a protein structure generation task where backpropagation is infeasible.

Sampling from score-based diffusion models incurs bias due to both time discretisation and the approximation of the score function. A common strategy for reducing this bias is to apply corrector steps based on the unadjusted Langevin algorithm (ULA) at each noise level within a predictor-corrector framework. However, ULA is itself a biased sampler, as it discretises a continuous diffusion process. In this work, we consider adjusted Langevin correctors that employ Metropolis--Hastings (MH) or Barker's accept-reject steps to correct for this bias. Since the target density ratio typically required by MH-based algorithms is unavailable, we propose methods that instead utilise the score function to compute the correct acceptance probability. We introduce the first exact method for adjusting Langevin corrections in diffusion models, based on a two-coin Bernoulli factory algorithm. We also propose an efficient approximation based on Simpson's rule that achieves accuracy of order $5/2$ in the step size at near-zero marginal cost. We demonstrate that these procedures improve sample quality on both synthetic and image datasets, yielding consistent gains in Fréchet Inception Distance (FID) on the latter.

We study Slowly Annealed Langevin Dynamics (SALD), a sampler for tracking a path of moving target distributions and approximating the terminal target through time slowdown. We establish non-asymptotic convergence guarantees via a KL differential inequality, showing that slowdown improves tracking through contraction of intermediate targets and the complexity of the path. Motivated by training-free guided generation with pretrained score-based generative models, we further introduce Velocity-Aware SALD (VA-SALD), which explicitly incorporates the underlying marginal distributions of the pretrained model and uses slowdown to correct the additional deviation induced by guidance. This yields a principled framework for training-free guided generation for diffusion-based and related generative model families, together with convergence guarantees that clarify the roles of intermediate functional inequalities and guidance bias. Code is available at https://github.com/anitan0925/sald.

Modern generative modeling is dominated by transport from a noise prior to data. We propose an alternative paradigm in which generation is performed by a discrete stochastic dynamics that leaves the data distribution invariant, initialized from data-supported states rather than from noise. The framework can utilize any pretrained flow model. We develop two probability-preserving sampling mechanisms, a corrected Langevin dynamics with a Metropolis adjustment and a predictor-corrector flow, that operate directly on existing checkpoints. We validate the framework on a synthetic Swiss-roll target, ImageNet-256 and Oxford Flowers-102, where our samplers consistently improve over the original generation procedures.

Langevin sampling from distributions of the form $p(x) \propto \exp(-Ψ(x))$ faces two major challenges: (global) mode coverage and (local) mode exploration. The first challenge is particularly relevant for multi-modal distributions with disjoint modes, whereas the second arises when the potential $Ψ$ exhibits diverse and ill-conditioned local mode geometry. To address these challenges, a common approach is to precondition Langevin dynamics with problem-specific information, such as the sample covariance or the local curvature of $Ψ$. However, existing preconditioner choices inherently involve a trade-off between global mode coverage and local mode exploration, and no prior method resolves both simultaneously. To overcome this limitation, we propose the TIPreL, which introduces a time- and position-dependent preconditioner. This design effectively addresses both challenges mentioned above within a single framework. We establish convergence of the resulting dynamics in the Wasserstein-2 distance both in continuous time and for a tamed Euler discretization. In particular, our analysis extends the existing state of the art by proving convergence under time- and space-dependent diffusion coefficients, and only locally Lipschitz drifts, which has not been covered by prior work. Finally, we experimentally compare TIPreL with competing preconditioning schemes on a two-dimensional, severely ill-posed example and on a Bayesian logistic regression task in higher dimensions, confirming the efficiency of the proposed method.

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.

We study zero-shot conditional sampling with pretrained diffusion models for linear inverse problems, including inpainting and super-resolution. In these problems, the observation determines only part of the unknown signal. The remaining degrees of freedom must be sampled according to the correct conditional data distribution. Existing projection-based samplers enforce measurement consistency by correcting the observed component during reverse diffusion. However, measurement consistency alone does not determine how probability mass should be distributed along the feasible set, and this can lead to biased conditional samples. We analyze this issue through a normal--tangent decomposition of the score function. For Gaussian noising, the observed-direction score is exactly determined by the measurement; only the tangent conditional score is unknown. We prove that the error from replacing this score by the unconditional tangent score is upper bounded by a dimension-free conditional mutual information between observed and unobserved components. This gives an information-theoretic decomposition into initialization and pathwise score-mismatch errors. Motivated by the theory, we propose a projected-Langevin initialization followed by guided reverse denoising, which outperforms a strong projection-based baseline in inpainting and super-resolution experiments.

Energy-based models (EBMs) are a flexible class of deep generative models and are well-suited to capture complex dependencies in multimodal data. However, learning multimodal EBM by maximum likelihood requires Markov Chain Monte Carlo (MCMC) sampling in the joint data space, where noise-initialized Langevin dynamics often mixes poorly and fails to discover coherent inter-modal relationships. Multimodal VAEs have made progress in capturing such inter-modal dependencies by introducing a shared latent generator and a joint inference model. However, both the shared latent generator and joint inference model are parameterized as unimodal Gaussian (or Laplace), which severely limits their ability to approximate the complex structure induced by multimodal data. In this work, we study the learning problem of the multimodal EBM, shared latent generator, and joint inference model. We present a learning framework that effectively interweaves their MLE updates with corresponding MCMC refinements in both the data and latent spaces. Specifically, the generator is learned to produce coherent multimodal samples that serve as strong initial states for EBM sampling, while the inference model is learned to provide informative latent initializations for generator posterior sampling. Together, these two models serve as complementary models that enable effective EBM sampling and learning, yielding realistic and coherent multimodal EBM samples. Extensive experiments demonstrate superior performance for multimodal synthesis quality and coherence compared to various baselines. We conduct various analyses and ablation studies to validate the effectiveness and scalability of the proposed multimodal framework.

Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging. Standard approaches often rely on short-time trajectory increments, state-space partitioning, or repeated simulation of candidate models, which become unreliable or computationally expensive for high-dimensional systems, coarse temporal sampling, or unevenly sampled data. We introduce a data-driven calibration method based on a novel relationship between the coefficients of a stochastic reduced model and the conditional score of the finite-time transition density, defined as the gradient of the logarithm of the transition density with respect to the initial state. The resulting identity expresses derivatives of lagged correlation functions as stationary expectations over observed lagged pairs involving this conditional score and the unknown model coefficients. This formulation allows the drift and diffusion structure to be constrained directly from finite-lag statistics, without differentiating trajectories, partitioning state space, or repeatedly integrating candidate reduced models during calibration, yielding a least-squares fitting problem over stationary lagged pairs. We validate the approach on three systems of increasing complexity: an analytically tractable Cox--Ingersoll--Ross diffusion, a two-dimensional nonequilibrium diffusion with affine multiplicative noise, and a periodic soft-spin stochastic Landau--Lifshitz chain. Across these tests, the inferred models preserve the invariant statistics while reproducing finite-lag dynamical correlations. The framework provides a scalable route for learning stochastic reduced-order models from data that reproduce prescribed statistical and dynamical properties.

The reverse process in score-based diffusion models is formally equivalent to overdamped Langevin dynamics in a time-dependent energy landscape. In our prior work we showed that a bilinearly-coupled analog substrate can physically realize this dynamics at a projected three-to-four orders of magnitude energy advantage over digital inference by replacing dense skip connections with low-rank inter-module couplings. Whether the \emph{training} loop can be closed on the same substrate -- without routing gradients through an external digital accelerator -- has remained open. We resolve this affirmatively: Equilibrium Propagation applied directly to the bilinear energy yields an unbiased estimator of the denoising score-matching gradient in the zero-nudge limit. For finite nudging we derive a sharp bias bound controlled solely by substrate stiffness, local curvature, and the norm of the loss-gradient signal, with a bilinear-specific corollary showing that one dominant bias term vanishes identically for coupling-parameter updates. Symmetric nudging further upgrades the leading bias from $\mathcal{O}(β)$ to $\mathcal{O}(β^2)$ at negligible extra cost. Under realistic finite-relaxation budgets this upgrade is essential, as one-sided EqProp produces anti-correlated gradients while symmetric EqProp yields well-aligned updates. Bias-variance analysis determines the optimal operating point, and end-to-end physical-unit accounting projects a $10^3$-$10^4\times$ energy advantage per training step over a matched GPU baseline. Symmetric bilinear EqProp is the first local, readout-only training rule that preserves the low-rank coupling enabling scalable thermodynamic diffusion models.

Stochastic dynamical systems with slow or metastable behavior evolve, on long time scales, on an unknown low-dimensional manifold in high-dimensional ambient space. Building a reduced simulator from short-burst ambient ensembles is a long-standing problem: local-chart methods like ATLAS suffer from exponential landmark scaling and per-step reprojection, while autoencoder alternatives leave tangent-bundle geometry poorly constrained, and the errors propagate into the learned drift and diffusion. We observe that the ambient covariance~$Λ$ already encodes coordinate-invariant tangent-space information, its range spanning the tangent bundle. Using this, we construct a tangent-bundle penalty and an inverse-consistency penalty for a three-stage pipeline (chart learning, latent drift, latent diffusion) that learns a single nonlinear chart and the latent SDE. The penalties induce a function-space metric, the $ρ$-metric, strictly weaker than the Sobolev $H^1$ norm yet achieving the same chart-quality generalization rate up to logarithmic factors. For the drift, we derive an encoder-pullback target via Itô's formula on the learned encoder and prove a bias decomposition showing the standard decoder-side formula carries systematic error for any imperfect chart. Under a $W^{2,\infty}$ chart-convergence assumption, chart-level error propagates controllably to weak convergence of the ambient dynamics and to convergence of radial mean first-passage times. Experiments on four surfaces embedded in up to $201$ ambient dimensions reduce radial MFPT error by $50$--$70\%$ under rotation dynamics and achieve the lowest inter-well MFPT error on most surface--transition pairs under metastable Müller--Brown Langevin dynamics, while reducing end-to-end ambient coefficient errors by up to an order of magnitude relative to an unregularized autoencoder.

We study the mean-field Langevin descent-ascent (MFL-DA), a coupled optimization dynamics on the space of probability measures for entropically regularized two-player zero-sum games, together with its associated interacting particle system. For general nonconvex-nonconcave payoffs, Wang and Chizat (COLT 2024) asked whether the original single-timescale MFL-DA converges to the mixed Nash equilibrium and, if so, at what rate. We prove a local affirmative answer in Wasserstein space: if the initial datum is sufficiently close to the mixed Nash equilibrium, then the mean-field dynamics converges to it exponentially fast at a quantitative rate. We further show that the finite-$N$ particle system inherits this stability up to times exponential in $N$, with an $N$-independent exponential rate modulo a finite-particle error floor. Combined with the recent counterexample of Mourrat and Pillaud-Vivien for MFL-DA, which shows that global convergence cannot hold in general, our theorem completes the positive local counterpart of the Wang-Chizat question: the mixed Nash equilibrium has a robust basin of attraction, stable under both the mean-field flow and its finite-particle approximation.

We develop interacting particle algorithms for learning latent variable models with energy-based priors. To do so, we leverage recent developments in particle-based methods for solving maximum marginal likelihood estimation (MMLE) problems. Specifically, we provide a continuous-time framework for learning latent energy-based models, by defining stochastic differential equations (SDEs) that provably solve the MMLE problem. We obtain a practical algorithm as a discretisation of these SDEs and provide theoretical guarantees for the convergence of the proposed algorithm. Finally, we empirically validate the effectiveness of our method on synthetic and image datasets and demonstrate that using a particle based approach offers significant improvement in computational efficiency.

Fixed points of recurrent neural networks can be leveraged to store and generate information. These fixed points are captured by the Boltzmann-Gibbs measure, which leads to neural Langevin dynamics that relax to those fixed points for generative learning of a real dataset. We call this type of generative model a neural Langevin machine, which derives an asymmetric and firing-rate-speed-adjusted learning rule requiring only local neural signals, thereby bearing biological relevance in terms of local predictive learning. An out-of-equilibrium regime of the generative process is revealed, together with a memorization-to-generalization transition with increasing training data size. The neuro-inspired machine can also realize a continuous exploration of the phase space for different kinds of generative images and can denoise a corrupted image as well.

We develop sampling methods, which consist of Gaussian invariant versions of random walk Metropolis (RWM), Metropolis adjusted Langevin algorithm (MALA) and second order Hessian or Manifold MALA. Unlike standard RWM and MALA, we show that Gaussian invariant sampling can lead to ergodic estimators with improved statistical efficiency. This is due to a remarkable property of Gaussian invariance that allows us to obtain exact analytical solutions to the Poisson equation for Gaussian targets. These solutions can be used to construct efficient and easy to use control variates for variance reduction of estimators under any intractable target. We demonstrate the new samplers and estimators in several examples, including high dimensional targets in latent Gaussian models where we compare against several advanced methods and obtain state-of-the-art results. We also provide theoretical results regarding geometric ergodicity, and an optimal scaling analysis that shows the dependence of the optimal acceptance rate on the Gaussianity of the target.

We introduce a continuous policy-value iteration algorithm where the approximations of the value function of a stochastic control problem and the optimal control are simultaneously updated through Langevin-type dynamics. This framework applies to both the entropy-regularized relaxed control problems and the classical control problems, with infinite horizon. We establish policy improvement and demonstrate convergence to the optimal control under the monotonicity condition of the Hamiltonian. By utilizing Langevin-type stochastic differential equations for continuous updates along the policy iteration direction, our approach enables the use of distribution sampling and non-convex learning techniques in machine learning to optimize the value function and identify the optimal control simultaneously.

Many learning algorithms can be represented as Markov processes, and understanding their generalization error is a central topic in learning theory. For specific continuous-time noisy algorithms, a prominent analysis technique relies on information-theoretic tools and the so-called ``entropy flow'' method. This technique is compatible with a broad range of assumptions and leverages the convergence properties of learning dynamics to produce meaningful generalization bounds, which can also be informative or extend to discrete-time settings. Despite their success, existing entropy flow formulations are limited to specific noise and algorithm structures (\eg, Langevin dynamics). In this work, we exploit new technical tools to extend its applicability to all learning algorithms whose iterative dynamics is governed by a time-homogeneous Markov process. Our approach builds on a principled continuous-time approximation of Markov algorithms and introduces a new, exact entropy flow formula for such processes. Within this unified framework, we establish novel connections to a well-studied family of modified logarithmic Sobolev inequalities, which we use to connect the generalization error to the ergodic properties of Markov processes. Finally, we provide a detailed analysis of all the terms appearing in our theory and demonstrate its effectiveness by deriving new generalization bounds for several concrete algorithms.

We study learning to learn through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a regression task with convex objective. For classification tasks, the LGD algorithm estimates the posterior probabilities of each class on the test set. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss on regression tasks, and for which LGD closely approximates the posterior probabilities for well-specified classification tasks. Subsequently, we study generalization guarantees on meta learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters $d$ and hyperparameter dimension $h$, we show a pseudo-dimension bound of $O(dh)$, up to logarithmic terms under mild assumptions on LGD. This matches the dependence of the bounds on number of parameters obtained in prior work for linear regression using the elastic net, which only allows for $h=2$ hyperparameters, and extends their bounds to regression on convex loss. Compared to bounds on regularized logistic regression that allow for only $h=1$ hyperparameter, our bounds improve greatly on the dependence on samples per task at the cost of worse dependence on the number of parameters by accounting for hardware-aware procedures. Finally, we show empirical evidence of the success of LGD and the meta learning procedure for few-shot learning on linear and logistic regression using synthetically created datasets.