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 langevin dynamic


PID-controlled Langevin Dynamics for Faster Sampling of Generative Models

Neural Information Processing Systems

Langevin dynamics sampling suffers from extremely low generation speed, fundamentally limited by numerous fine-grained iterations to converge to the target distribution. We introduce PID-controlled Langevin Dynamics (PIDLD), a novel sampling acceleration algorithm that reinterprets the sampling process using control-theoretic principles. By treating energy gradients as feedback signals, PIDLD combines historical gradients (the integral term) and gradient trends (the derivative term) to efficiently traverse energy landscapes and adaptively stabilize, thereby significantly reducing the number of iterations required to produce highquality samples. Our approach requires no additional training, datasets, or prior information, making it immediately integrable with any Langevin-based method. Extensive experiments across image generation and reasoning tasks demonstrate that PIDLD achieves higher quality with fewer steps, making Langevin-based generative models more practical for efficiency-critical applications.


Time-Independent Information-Theoretic Generalization Bounds for SGLD

Neural Information Processing Systems

We provide novel information-theoretic generalization bounds for stochastic gradient Langevin dynamics (SGLD) under the assumptions of smoothness and dissipativity, which are widely used in sampling and non-convex optimization studies. Our bounds are time-independent and decay to zero as the sample size increases, regardless of the number of iterations and whether the step size is fixed. Unlike previous studies, we derive the generalization error bounds by focusing on the time evolution of the Kullback-Leibler divergence, which is related to the stability of datasets and is the upper bound of the mutual information between output parameters and an input dataset. Additionally, we establish the first information-theoretic generalization bound when the training and test loss are the same by showing that a loss function of SGLD is sub-exponential. This bound is also time-independent and removes the problematic step size dependence in existing work, leading to an improved excess risk bound by combining our analysis with the existing non-convex optimization error bounds.


Fractional Langevin Dynamics for Combinatorial Optimization via Polynomial-Time Escape

Neural Information Processing Systems

Langevin Dynamics (LD) and its discrete proposal have been widely applied in the field of Combinatorial Optimization (CO). Both sampling-based and data-driven approaches have benefited significantly from these methods. However, LD's reliance on Gaussian noise limits its ability to escape narrow local optima, requires costly parallel chains, and performs poorly in rugged landscapes or with non-strict constraints. These challenges have impeded the development of more advanced approaches. To address these issues, we introduce Fractional Langevin Dynamics (FLD) for CO, replacing Gaussian noise with $\alpha$-stable L\'evy noise. FLD can escape from local optima more readily via L\'evy flights, and in multiple-peak CO problems with high potential barriers it exhibits a polynomial escape time that outperforms the exponential escape time of LD. Moreover, FLD coincides with LD when $\alpha = 2$, and by tuning $\alpha$ it can be adapted to a wider range of complex scenarios in the CO fields. We provide theoretical proof that our method offers enhanced exploration capabilities and improved convergence. Experimental results on the Maximum Independent Set, Maximum Clique, and Maximum Cut problems demonstrate that incorporating FLD advances both sampling-based and data-driven approaches, achieving state-of-the-art (SOTA) performance in most of the experiments.


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.