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 langevin dynamic


Dimension-Uniform Discretization Analysis of Preconditioned Annealed Langevin Dynamics for Multimodal Gaussian Mixtures

arXiv.org Machine Learning

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.


Decentralized Proximal Stochastic Gradient Langevin Dynamics

arXiv.org Machine Learning

Decentralized learning is a learning process in which data is distributed across computational agents or collected by individual agents, and model parameters are computed as the consensus of the agents. It has gained a lot of interest for applications where agents can collaboratively learn a predictive model without sharing their own data, but sharing only their local models with their immediate neighbors to generate a global model [He et al., 2018, Hendrikx et al., 2019, Arjevani et al., 2020]. We assume there are N agents who are connected over an undirected communication network G = (V,E) where V = {1,...,N} represents the agents and E V V denotes the set of edges; i.e., if agent i and j are connected then (i,j) E implies (j,i) E. Suppose we have a collection of n independent and identically distributed (i.i.d.) data pairs zi = (ai,yi), where ai Rp is the feature vector and yi the label or response of the i-th observation. Let Z = [z1,z2,,zn] Rnp be sampled from the distribution p(Z|x) where the parameter x Rd has a common prior. The goal is to sample from the posterior distribution p(x|Z) p(Z|x)p(x) by distributing Z among N agents such that Zi = {zi1,zi2,,zini} is the subset of data exclusive to agent i.



Two-layer neural network on infinite-dimensional data: global optimization guarantee in the mean-field regime

Neural Information Processing Systems

Analysis of neural network optimization in the mean-field regime is important as the setting allows for feature learning. Existing theory has been developed mainly for neural networks in finite dimensions, i.e., each neuron has a finite-dimensional parameter. However, the setting of infinite-dimensional input naturally arises in machine learning problems such as nonparametric functional data analysis and graph classification. In this paper, we develop a new mean-field analysis of two-layer neural network in an infinite-dimensional parameter space. We first give a generalization error bound, which shows that the regularized empirical risk minimizer properly generalizes when the data size is sufficiently large, despite the neurons being infinite-dimensional. Next, we present two gradient-based optimization algorithms for infinite-dimensional mean-field networks, by extending the recently developed particle optimization framework to the infinite-dimensional setting. We show that the proposed algorithms converge to the (regularized) global optimal solution, and moreover, their rates of convergence are of polynomial order in the online setting and exponential order in the finite sample setting, respectively. To our knowledge this is the first quantitative global optimization guarantee of neural network on infinite-dimensional input and in the presence of feature learning.



Mirror Langevin Monte Carlo: the Case Under Isoperimetry

Neural Information Processing Systems

Motivated by the connection between sampling and optimization, we study a mirror descent analogue of Langevin dynamics and analyze three different discretization schemes, giving nonasymptotic convergence rate under functional inequalities such as Log-Sobolev in the corresponding metric. Compared to the Euclidean setting, the result reveals intricate relationship between the underlying geometry and the target distribution and suggests that care might need to be taken in order for the discretized algorithm to achieve vanishing bias with diminishing stepsize for sampling from potentials under weaker smoothness/convexity regularity conditions.



Kinetic Langevin Splitting Schemes for Constrained Sampling

arXiv.org Machine Learning

Constrained sampling is an important and challenging task in computational statistics, concerned with generating samples from a distribution under certain constraints. There are numerous types of algorithm aimed at this task, ranging from general Markov chain Monte Carlo, to unadjusted Langevin methods. In this article we propose a series of new sampling algorithms based on the latter of these, specifically the kinetic Langevin dynamics. Our series of algorithms are motivated on advanced numerical methods which are splitting order schemes, which include the BU and BAO families of splitting schemes.Their advantage lies in the fact that they have favorable strong order (bias) rates and computationally efficiency. In particular we provide a number of theoretical insights which include a Wasserstein contraction and convergence results. We are able to demonstrate favorable results, such as improved complexity bounds over existing non-splitting methodologies. Our results are verified through numerical experiments on a range of models with constraints, which include a toy example and Bayesian linear regression.


Improved Particle Approximation Error for Mean Field Neural Networks

Neural Information Processing Systems

Mean-field Langevin dynamics (MFLD) minimizes an entropy-regularized nonlinear convex functional defined over the space of probability distributions. MFLD has gained attention due to its connection with noisy gradient descent for mean-field two-layer neural networks. Unlike standard Langevin dynamics, the nonlinearity of the objective functional induces particle interactions, necessitating multiple particles to approximate the dynamics in a finite-particle setting. Recent works (Chen et al., 2022; Suzuki et al., 2023b) have demonstrated the uniform-in-time propagation of chaos for MFLD, showing that the gap between the particle system and its mean-field limit uniformly shrinks over time as the number of particles increases. In this work, we improve the dependence on logarithmic Sobolev inequality (LSI) constants in their particle approximation errors, which can exponentially deteriorate with the regularization coefficient. Specifically, we establish an LSI-constant-free particle approximation error concerning the objective gap by leveraging the problem structure in risk minimization. As the application, we demonstrate improved convergence of MFLD, sampling guarantee for the mean-field stationary distribution, and uniform-in-time Wasserstein propagation of chaos in terms of particle complexity.


The Poisson Midpoint Method for Langevin Dynamics: Provably Efficient Discretization for Diffusion Models

Neural Information Processing Systems

Langevin Dynamics is a Stochastic Differential Equation (SDE) central to sampling and generative modeling and is implemented via time discretization. Langevin Monte Carlo (LMC), based on the Euler-Maruyama discretization, is the simplest and most studied algorithm. LMC can suffer from slow convergence - requiring a large number of steps of small step-size to obtain good quality samples. This becomes stark in the case of diffusion models where a large number of steps gives the best samples, but the quality degrades rapidly with smaller number of steps. Randomized Midpoint Method has been recently proposed as a better discretization of Langevin dynamics for sampling from strongly log-concave distributions. However, important applications such as diffusion models involve non-log concave densities and contain time varying drift. We propose its variant, the Poisson Midpoint Method, which approximates a small step-size LMC with large step-sizes. We prove that this can obtain a quadratic speed up of LMC under very weak assumptions. We apply our method to diffusion models for image generation and show that it maintains the quality of DDPM with 1000 neural network calls with just 50-80 neural network calls and outperforms ODE based methods with similar compute.