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Uniform-in-time Propagation-of-Chaos for Stein Variational Gradient Descent

arXiv.org Machine Learning

We study uniform-in-time propagation-of-chaos for continuous-time Stein Variational Gradient Descent (SVGD). Classical finite-time propagation-of-chaos estimates for mean-field systems typically deteriorate rapidly with time and therefore do not directly explain the long-time relation between the finite-particle system and its mean-field limit. We obtain two complementary classes of uniform-in-time propagation-of-chaos results. For broad distributional metrics, we introduce a cutoff strategy which combines finite-time propagation-of-chaos estimates up to an $N$-dependent horizon with independent quantitative long-time convergence estimates for the finite-particle and mean-field SVGD flows. This yields uniform-in-averaging-time propagation-of-chaos bounds in Langevin kernel Stein discrepancy, Wasserstein-1 distance, and Wasserstein-2 distance, with logarithmic or iterated-logarithmic rates depending on the metric, target and kernel class. We also develop a finite-dimensional theory for matrix-valued finite-rank kernels. For Gaussian targets with bilinear kernels, the SVGD dynamics close exactly on first and second moments, yielding genuine uniform-in-physical-time parametric propagation-of-chaos rates in finite-dimensional Stein-feature metrics. We then prove a conjugacy principle showing that these feature-level estimates transfer to conjugate target-kernel pairs under orientation-preserving diffeomorphisms, thereby extending the theory to broad classes of nonlinear, including multimodal, targets. Together, these results highlight the contrast between generic distributional metrics, for which our general approach yields logarithmic rates, and closed finite-dimensional Stein observables, for which parametric $N^{-1/2}$ propagation-of-chaos rates persist uniformly in time.


HypergraphEmbeddingSuperposition PrincipleUpdatedEmbeddingattractiondamping potential contournodes with a hyperedgenoiseuncertaintyrepulsion

Neural Information Processing Systems

We introduce a novel hypergraph message passing framework inspired by interacting particle systems, where hyperedges act as fields inducing shared node dynamics. By incorporating attraction, repulsion, and Allen-Cahn forcing terms, particles of varying classes and features achieve class-dependent equilibrium, enabling separability through the particle-driven message passing. We investigate both first-order and secondorder particle system equations for modeling these dynamics, which mitigate over-smoothing and heterophily thus can capture complete interactions. The more stable second-order system permits deeper message passing. Furthermore, we enhance deterministic message passing with stochastic element to account for interaction uncertainties. We prove theoretically that our approach mitigates oversmoothing by maintaining a positive lower bound on the hypergraph Dirichlet energy during propagation and thus to enable hypergraph message passing to go deep. Empirically, our models demonstrate competitive performance on diverse real-world hypergraph node classification tasks, excelling on both homophilic and heterophilic datasets. Source code is available at the link.


Attention as In-Context Empirical Bayes: A Two-Stage View via Particle Dynamics

arXiv.org Machine Learning

We study minimal attention-only transformers under all-token corruption and show they admit a two-stage empirical Bayes interpretation. A single attention step computes a kernel-weighted posterior mean with respect to the empirical distribution defined by the context. Depth refines this distribution through particle dynamics (Stage 1), while a long-range skip-connection carries the noisy input as a query for posterior inference (Stage 2), revealing distinct statistical roles for depth and attention residuals. The framework isolates a minimal setting in which the context itself induces a depth-dependent energy landscape governing in-context inference. We show that effective denoising can emerge without an explicit noise schedule: a fixed kernel bandwidth and finite integration horizon suffice, yielding a principled depth-noise relationship. We further establish a posterior-mean recovery guarantee for a class of well-behaved priors, where the empirical estimator converges to the Bayes-optimal predictor under asymptotic conditions. Connecting these dynamics to reverse-diffusion limits, our results provide a statistical interpretation of attention as in-context inference via sample-based posterior estimation, without explicit density modeling.


Recursive Maximum Likelihood Estimation for Interacting Particle Systems using Virtual Particles

arXiv.org Machine Learning

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.


Learning interacting particle systems from unlabeled data

arXiv.org Machine Learning

Learning the potentials of interacting particle systems is a fundamental task across various scientific disciplines. A major challenge is that unlabeled data collected at discrete time points lack trajectory information due to limitations in data collection methods or privacy constraints. We address this challenge by introducing a trajectory-free self-test loss function that leverages the weak-form stochastic evolution equation of the empirical distribution. The loss function is quadratic in potentials, supporting parametric and nonparametric regression algorithms for robust estimation that scale to large, high-dimensional systems with big data. Systematic numerical tests show that our method outperforms baseline methods that regress on trajectories recovered via label matching, tolerating large observation time steps. We establish the convergence of parametric estimators as the sample size increases, providing a theoretical foundation for the proposed approach.


SympFormer: Accelerated attention blocks via Inertial Dynamics on Density Manifolds

arXiv.org Machine Learning

Transformers owe much of their empirical success in natural language processing to the self-attention blocks. Recent perspectives interpret attention blocks as interacting particle systems, whose mean-field limits correspond to gradient flows of interaction energy functionals on probability density spaces equipped with Wasserstein-$2$-type metrics. We extend this viewpoint by introducing accelerated attention blocks derived from inertial Nesterov-type dynamics on density spaces. In our proposed architecture, tokens carry both spatial (feature) and velocity variables. The time discretization and the approximation of accelerated density dynamics yield Hamiltonian momentum attention blocks, which constitute the proposed accelerated attention architectures. In particular, for linear self-attention, we show that the attention blocks approximate a Stein variational gradient flow, using a bilinear kernel, of a potential energy. In this setting, we prove that elliptically contoured probability distributions are preserved by the accelerated attention blocks. We present implementable particle-based algorithms and demonstrate that the proposed accelerated attention blocks converge faster than the classical attention blocks while preserving the number of oracle calls.





4d215ab7508a3e089af43fb605dd27d1-Supplemental.pdf

Neural Information Processing Systems

Providing a very low critical probabilitypc means that certification occurs when the simulation ends after alarge number of iterationsm. On the other hand, the projection of X onto any other direction orthogonal tog remains normal distributed. For each couple of parameters(N,T)we make1000 runs and count the number of false positive(i.e. the number of times the algorithm wrongfully asserted thatp < pc). Combining the latter proposal withT we obtain again a proposal reversible w.r.t. Step4: Conclusionbyinduction Let l0 be any critical level such thatπ0(h(X) > l0) > 0. We consider the following induction hypothesisatiterationk: Hk On the event, Lk l0, The probability that the two particle systems are equal tends exponentiallyfastto1whent + .