Searcharxiv⌕ Search

arXiv subjects

Grigorios A. Pavliotis

Publications and source records attributed to Grigorios A. Pavliotis.

At least 19 recordsLinked to original sources

Reversible Stratonovich perturbations for accelerating convergence to equilibrium of Langevin dynamics

In this paper, we study the problem of sampling from a probability distribution using Langevin-type dynamics. We consider overdamped Langevin dynamics perturbed by adding a Stratonovich perturbation that preserves reversibility. We prove an optimal scaling for the Stratonovich perturbation applied to Gaussian target distributions and derive an algorithm to construct such perturbation. Our theoretical results are supplemented by numerical experiments in which we compare our proposed method with nonreversible samplers and overdamped Langevin dynamics. Our numerical experiments demonstrate the efficiency of the approach beyond the quadratic case.

math.NA↗

Bayesian statistical inverse problems for a coupled Fokker-Planck-Darcy system

We study the nonparametric statistical inverse problem of recovering the space-dependent permittivity in a coupled Fokker-Planck-Darcy system from discrete, noisy observations of the Fokker-Planck solution. We consider the coupled parabolic-elliptic system on a bounded domain with the physically natural no-flux boundary condition for the Fokker-Planck equation and homogeneous Dirichlet boundary conditions for the Darcy equation. The inverse problem is indirect, since the unknown coefficient enters only through the elliptic equation and is observed only through its effect on the density in the parabolic equation. We first develop the analytical theory of the forward problem required for the statistical analysis, establishing well-posedness and a priori bounds uniform over the admissible set of permittivities. We then derive two stability estimates for the inverse problem, namely a Lipschitz-type forward estimate and a generalized backward estimate. Placing a rescaled Gaussian process prior on the log-shifted permittivity, we show that the posterior contracts around the truth at an explicit polynomial rate in the number of observations, with the posterior mean converging at the same rate. Numerical experiments in one and two dimensions, using preconditioned Crank-Nicolson and ensemble Kalman filter algorithms, complement our theoretical results.

math.ST↗

Control Strategies for Multi-Species Wasserstein Gradient Flows

We stabilize stationary states of coupled multi-species McKean--Vlasov equations by feedback control, extending a spectral approach based on the Wasserstein Hessian and a Riccati equation from a single density to a product of Wasserstein spaces. We give necessary and sufficient conditions for local exponential stabilization at a prescribed rate when only one species is actuated, together with the minimum number of control inputs required. For two species, the condition reduces to a rank condition on the Fourier coefficients of the cross-interaction kernel over the eigenspaces of the unactuated species' linearized dynamics. A two-community noisy Kuramoto model and a cell-sorting model illustrate the results.

math.OC↗

Feedback Control and Local Convexification of Wasserstein Gradient Flows

Building on the feedback stabilization framework that we developed for McKean-Vlasov PDEs, we treat a class of entropy-regularized free energies $F = E + σ\mathrm{Ent}$ on the flat torus, with $E$ possibly nonconvex and nonlocal, and show that the resulting controlled system admits a gradient flow formulation in Wasserstein space. Specifically, we realize the Wasserstein Hessian at a target stationary measure $\barμ$ as a self-adjoint operator with compact resolvent and show that its negative is unitarily equivalent to the generator of the linearized dynamics. The resulting feedback stabilization can then be interpreted as a local convexification of the free energy landscape: for any prescribed threshold $δ> 0$, the control, obtained from an algebraic Riccati equation for the linearized problem, induces a finite-rank perturbation of the Wasserstein Hessian that lifts its spectrum above $δ$, yielding local displacement convexity on a Hölder neighborhood of $\barμ$ in regimes where the uncontrolled energy is nonconvex or slowly contracting. Under a local well-posedness assumption, $\barμ$ is moreover a locally exponentially stable equilibrium of the closed-loop dynamics, with rate at least $δ$. The framework covers McKean-Vlasov models and extends to moment-constrained Fokker-Planck dynamics and Fokker-Planck equations on closed Riemannian manifolds.

math.OC↗

Parameter Estimation for Weakly Interacting Hypoelliptic Diffusions

We study parameter estimation for interacting particle systems (IPSs) consisting of $N$ weakly interacting multivariate hypoelliptic SDEs. We propose a locally Gaussian approximation of the transition dynamics, carefully designed to address the degenerate structure of the noise (diffusion matrix), thus leading to the formation of a well-defined full likelihood. Our approach permits carrying out statistical inference for a wide class of hypoelliptic IPSs that are not covered by recent works as the latter rely on the Euler-Maruyama scheme. We analyze a contrast estimator based on the developed likelihood with $n$ high-frequency particle observations over a fixed period $[0,T]$ and show its asymptotic normality as $n, N \to \infty$ with a requirement that the step-size $Δ_n = T/n$ is such that $NΔ_n\rightarrow 0$, assuming that all particle coordinates (e.g.~position and velocity) are observed. In practical situations where only partial observations (e.g. particle positions but not velocities) are available, the proposed locally Gaussian approximation offers greater flexibility for inference, when combined with established Bayesian techniques. In particular, unlike the Euler-Maruyama-based approaches, we do not have to impose restrictive structures on the hypoelliptic IPSs. We present numerical experiments that illustrate the effectiveness of our approach, both with complete and partial particle observations.

math.ST↗

Multi-species McKean-Vlasov dynamics in non-convex landscapes

In this paper, we study multi-species stochastic interacting particle systems and their mean-field McKean-Vlasov partial differential equations (PDEs) in non-convex landscapes. Under general assumptions on non-convex confining and interaction potentials with polynomial growth, we establish the well-posedness of the multi-species SDE system, prove propagation of chaos, deriving the corresponding coupled McKean-Vlasov PDE system in the mean-field limit. Our focus is on the long-time and asymptotic behaviour of the mean-field PDEs. For quadratic interaction potentials and under an appropriate structural assumption, which implies that the generator of each species is multiple of a common generator, we show the existence and (non-) uniqueness of stationary solutions, study their linear stability and prove the existence of a phase transition at low noise strengths. For quadratic and symmetric interaction potentials (but no structural assumption), we construct a free-energy functional that plays the role of a Lyapunov function for the mean-field PDE system. Furthermore, we establish the convergence of solutions to the mean-field PDEs (and of their free energy) to a stationary state (and the corresponding free energy).

math.PR↗

On the diffusive-mean field limit of a kinetic weakly interacting particle system

We study the joint diffusive-mean field limit for a system of weakly interacting kinetic Langevin dynamics, extending the results of Delgadino, Gvalani and Pavliotis (Arch. Ration. Mech. Anal., 2021) to the hypoelliptic/hypocoercive case. We show that, in the absence of phase transitions, the two limits commute, and we calculate the covariance matrix of the limiting Brownian motion using the Green-Kubo/Kipnis-Varadhan formula. However, at low temperatures, and in the presence of phase transitions, the two limits may not commute. We demonstrate our findings by providing a detailed analysis of the diffusive-mean field limit for the $O(2)$ model in a magnetic field. Our analysis is based on the systematic use of recently developed hypocoercivity techniques, together with an appropriate linearization of the mean field McKean-Vlasov-Fokker-Planck partial differential equation.

math.AP↗

Cluster formation for weakly interacting kinetic Langevin dynamics

In this paper, we study the formation of clusters for stochastic interacting particle systems (IPS) that interact through short-range attractive potentials in a periodic domain. We consider kinetic (underdamped) Langevin dynamics and focus on the low-friction regime. Employing a linear stability analysis for the kinetic McKean-Vlasov equation, we show that, at sufficiently low temperatures, and for sufficiently short-ranged interactions, the particles form clusters that correspond to metastable states of the mean-field dynamics. We derive the friction and particle-count dependent cluster-formation time and numerically measure the friction-dependent times to reach a stationary state (given by a state in which all particles are bound in a single cluster). By providing both theory and numerical methods in the inertial stochastic setting, this work acts as a bridge between cluster formation studies in overdamped Langevin dynamics and the Hamiltonian (microcanonical) limit.

math.NA↗

Formation of clusters and coarsening in weakly interacting diffusions

This paper studies the clustering behavior of weakly interacting diffusions under the influence of sufficiently localized attractive interaction potentials on the one-dimensional torus. We describe how this clustering behavior is closely related to the presence of discontinuous phase transitions in the mean-field PDE. For local attractive interactions, we employ a new variant of the strict Riesz rearrangement inequality to prove that all global minimizers of the free energy are either uniform or single-cluster states, in the sense that they are symmetrically decreasing. We analyze different timescales for the particle system and the mean-field (McKean-Vlasov) PDE, arguing that while the particle system can exhibit coarsening by both coalescence and diffusive mass exchange between clusters, the clusters in the mean-field PDE are unable to move and coarsening occurs via the mass exchange of clusters. By introducing a new model for this mass exchange, we argue that the PDE exhibits dynamical metastability. We conclude by presenting careful numerical experiments that demonstrate the validity of our model.

math.AP↗

A theory of generalised coordinates for stochastic differential equations

Stochastic differential equations are ubiquitous modelling tools in physics and the sciences. In most modelling scenarios, random fluctuations driving dynamics or motion have some non-trivial temporal correlation structure, which renders the SDE non-Markovian; a phenomenon commonly known as ``colored'' noise. Thus, an important objective is to develop effective tools for mathematically and numerically studying (possibly non-Markovian) SDEs. In this report, we formalise a mathematical theory for analysing and numerically studying SDEs based on so-called `generalised coordinates of motion'. Like the theory of rough paths, we analyse SDEs pathwise for any given realisation of the noise, not solely probabilistically. Like the established theory of Markovian realisation, we realise non-Markovian SDEs as a Markov process in an extended space. Unlike the established theory of Markovian realisation however, the Markovian realisations here are accurate on short timescales and may be exact globally in time, when flows and fluctuations are analytic. This theory is exact for SDEs with analytic flows and fluctuations, and is approximate when flows and fluctuations are differentiable. It provides useful analysis tools, which we employ to solve linear SDEs with analytic fluctuations. It may also be useful for studying rougher SDEs, as these may be identified as the limit of smoother ones. This theory supplies effective, computationally straightforward methods for simulation, filtering and control of SDEs; amongst others, we re-derive generalised Bayesian filtering, a state-of-the-art method for time-series analysis. Looking forward, this report suggests that generalised coordinates have far-reaching applications throughout stochastic differential equations.

math.PR↗

Diffusion Models Preferentially Memorize Prototypical Examples or: Why Does My Diffusion Model Love Slop?

Generative models have a persistent limitation: their tendency to memorize training data can create legal liabilities and erode creative diversity. Understanding which samples are memorized in whole or in part, and under what conditions, therefore remains an important open problem. Here we answer the question "Are atypical or rare samples memorized first?" in the negative. We train diffusion models on strings generated according to the production rules of the Random Hierarchy Model (RHM), and find that samples composed of common substrings are preferentially memorized. This holds true even if the training data consists of entirely unique samples, indicating that deduplication at the data point level does not provide a meaningful privacy guarantee. Correspondingly we predict, then observe, delayed memorization for fat-tailed datasets (i.e., those with more atypical samples). This effect is amplified when fat-tails are introduced into high-level production rules. These together suggest that dataset diversity, particularly at higher levels of abstraction, plays an important role in staving off memorization. Finally, we identify an intermediate regime of partial memorization in which common substrings are learned first and subsequently overproduced during generation. If training is stopped in this regime, models will exhibit the reversion-to-the-mean blandness often derided as "slop".

cs.LG↗

Recursive Maximum Likelihood Estimation for Interacting Particle Systems using Virtual Particles

We study recursive maximum likelihood estimation for stochastic interacting particle systems based on continuous observation of a single particle. In this regime, consistent estimation of the finite-particle log-likelihood is not possible, even in the limit as the number of particles $N\rightarrow\infty$ and the time horizon $t\rightarrow\infty$. We thus seek to optimise the stationary log-likelihood of the limiting mean-field system. We achieve this via a form of stochastic gradient estimate in continuous time, with stochastic gradient estimates computed using the continuous trajectory of the single observed particle, alongside a virtual interacting particle system and a virtual tangent interacting particle system, which are integrated with the online parameter estimate. For fixed numbers of real and virtual particles, we show that the resulting algorithms drive the gradient of a finite-particle surrogate objective to zero as $t\to\infty$. We then prove that, in the iterated limit $t\to\infty$ followed by $N,M\to\infty$, these surrogate gradients converge uniformly to the gradient of the stationary log-likelihood of the limiting mean-field system, yielding convergence to its stationary points. We illustrate the method on several numerical examples, including a model with quadratic confinement and interaction potentials, a model of interacting FitzHugh--Nagumo neurons, and a stochastic Kuramoto model.

stat.ME↗

Linearization-Based Feedback Stabilization of McKean-Vlasov PDEs

We develop a feedback control framework for stabilizing the McKean-Vlasov PDE on the torus. Our goal is to steer the dynamics toward a prescribed stationary distribution or accelerate convergence to it using a time-dependent control potential. We reformulate the controlled PDE in a weighted, zero-mean space and apply the ground-state transform to obtain a Schrodinger-type operator. The resulting operator framework enables spectral analysis, verification of the infinite-dimensional Hautus test, and construction of a Riccati-based feedback law derived from the linearized dynamics, yielding local exponential stabilization with a chosen convergence rate. We rigorously prove local exponential stabilization via maximal regularity arguments and nonlinear estimates. Numerical experiments on well-studied models in one and two dimensions (the noisy Kuramoto model for synchronization, the O(2) spin model in a magnetic field, and the von Mises attractive interaction potential) showcase the effectiveness of our control strategy, demonstrating convergence acceleration and stabilization of unstable equilibria.

math.OC↗

Data-driven Reduction of Transfer Operators for Particle Clustering Dynamics

We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first construct a sequence of reduced representations: the operator is projected onto concentrations and then further reduced by representing the concentration dynamics on a geometric low-dimensional manifold and an adapted finite-state discretization. The resulting coarse-grained transfer operator is finally estimated from dynamical simulation data by inferring the transition probabilities between the Markov states. Applied to systems with multichromatic and Morse interaction potentials, the reduced model reproduces key features of the clustering process, including transitions between cluster configurations and the emergence of metastable states. Spectral analysis and transition-path analysis of the estimated operator reveal implied time scales and dominant transition pathways, providing an interpretable and efficient description of particle-clustering dynamics.

cond-mat.stat-mech↗

Critical coupling thresholds for tilted Kuramoto-Vicsek models with a confining potential

We study a Kuramoto-Vicsek model of self-propelled particles with periodic boundary conditions subject to a constant angular tilt and a confining potential, and its mean-field (Fokker-Planck) behaviour. In the absence of confinement, the uniform density is stationary and we compute the critical coupling for four normalisation variants of the interaction kernel, showing that the leading instability is always spatially homogeneous. When the confining field is present, the uniform state is no longer stationary. We construct the new steady state perturbatively and apply eigenvalue perturbation theory to derive an explicit formula for the critical coupling as a function of the field strength. The threshold increases quadratically with confinement strength, and the tilt enters through the steady-state correction despite having no effect on the threshold in the absence of confinement. We verify the prediction numerically and derive self-consistency equations for stationary states with general multichromatic potentials.

math-ph↗

Efficient Online Learning in Interacting Particle Systems

We introduce a new method for online parameter estimation in stochastic interacting particle systems, based on continuous observation of a small number of particles from the system. Our method recursively updates the model parameters using a stochastic approximation of the gradient of the asymptotic log likelihood, which is computed using the continuous stream of observations. Under suitable assumptions, we rigorously establish convergence of our method to the stationary points of the asymptotic log-likelihood of the interacting particle system. We consider asymptotics both in the limit as the time horizon $t\rightarrow\infty$, for a fixed and finite number of particles, and in the joint limit as the number of particles $N\rightarrow\infty$ and the time horizon $t\rightarrow\infty$. Under additional assumptions on the asymptotic log-likelihood, we also establish an $\mathrm{L}^2$ convergence rate and a central limit theorem. Finally, we present several numerical examples of practical interest, including a model for systemic risk, a model of interacting FitzHugh--Nagumo neurons, and a Cucker--Smale flocking model. Our numerical results corroborate our theoretical results, and also suggest that our estimator is effective even in cases where the assumptions required for our theoretical analysis do not hold.

math.ST↗

Identifiable learning of dissipative dynamics

Complex dissipative systems appear across science and engineering, from polymers and active matter to learning algorithms. These systems operate far from equilibrium, where energy dissipation and time irreversibility govern their behavior but are difficult to quantify from data. Here, we introduce a universal and identifiable neural framework that learns dissipative stochastic dynamics directly from trajectories while ensuring interpretability, expressiveness, and uniqueness. Our method identifies a unique energy landscape, separates reversible from irreversible motion, and allows direct computation of the entropy production, providing a principled measure of irreversibility and deviations from equilibrium. Applications to polymer stretching in elongational flow and to stochastic gradient Langevin dynamics reveal new insights, including super-linear scaling of barrier heights and sub-linear scaling of entropy production rates with the strain rate, and the suppression of irreversibility with increasing batch size. Our methodology thus establishes a general, data-driven framework for discovering and interpreting non-equilibrium dynamics.

cs.LG↗

Reversibility, covariance and coarse-graining for Langevin dynamics: On the choice of multiplicative noise

We study the interplay between reversibility, geometry, and the choice of multiplicative noise (in particular Itô, Stratonovich, Klimontovich) in stochastic differential equations (SDEs). Building on a unified geometric framework, we derive algebraic conditions under which a diffusion process is reversible with respect to a Gibbs measure on a Riemannian manifold. The condition depends continuously on a parameter $λ\in [0,1]$ which interpolates between the conventions of Itô ($λ= 0$), Stratonovich ($λ= \frac 1 2$) and Klimontovich ($λ= 1$). For reversible slow-fast systems of SDEs with a block-diagonal diffusion structure, we show, using the theory of Dirichlet forms, that both reversibility and the Klimontovich noise interpretation are preserved under coarse-graining. In particular, we prove that the effective dynamics for the slow variables, obtained via projection onto a lower-dimensional manifold, retain the Klimontovich interpretation and remain reversible with respect to the marginal Gibbs measure/free energy. Our results provide a flexible variational framework for modeling coarse-grained reversible dynamics with nontrivial geometric and noise structures.

math.PR↗