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NeurIPS_rebuttal-7

Neural Information Processing Systems

Recently there is a large amount of work devoted to the study of Markov chain stochastic gradient methods (MC-SGMs) which mainly focus on their convergence analysis for solving minimization problems. In this paper, we provide a comprehensive generalization analysis of MC-SGMs for both minimization and minimax problems through the lens of algorithmic stability in the framework of statistical learning theory. For empirical risk minimization (ERM) problems, we establish the optimal excess population risk bounds for both smooth and non-smooth cases by introducing on-average argument stability. For minimax problems, we develop a quantitative connection between on-average argument stability and generalization error which extends the existing results for uniform stability [38]. We further develop the first nearly optimal convergence rates for convex-concave problems both in expectation and with high probability, which, combined with our stability results, show that the optimal generalization bounds can be attained for both smooth and non-smooth cases. To the best of our knowledge, this is the first generalization analysis of SGMs when the gradients are sampled from a Markov process.



On the Complexity of Adversarial Decision Making

Neural Information Processing Systems

A central problem in online learning and decision making--from bandits to reinforcement learning--is to understand what modeling assumptions lead to sampleefficient learning guarantees. We consider a general adversarial decision making framework that encompasses (structured) bandit problems with adversarial rewards and reinforcement learning problems with adversarial dynamics. Our main result is to show--via new upper and lower bounds--that the Decision-Estimation Coefficient, a complexity measure introduced by Foster et al. [17] in the stochastic counterpart to our setting, is necessary and sufficient to obtain low regret for adversarial decision making. However, compared to the stochastic setting, one must apply the Decision-Estimation Coefficient to the convex hull of the class of models (or, hypotheses) under consideration. This establishes that the price of accommodating adversarial rewards or dynamics is governed by the behavior of the model class under convexification, and recovers a number of existing results--both positive and negative. En route to obtaining these guarantees, we provide new structural results that connect the Decision-Estimation Coefficient to variants of other well-known complexity measures, including the Information Ratio of Russo and Van Roy [47] and the Exploration-by-Optimization objective of Lattimore and György [32].



Turtle shell clustering: A mixture approach to discriminative clustering with applications to flow cytometry and other data

arXiv.org Machine Learning

Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised, probabilistic, and discriminative clustering method via a regularized mutual information objective function, wherein a mixture of mixtures of Gaussian and uniform distributions is used for formulation of the conditional model. Automatic selection of the number of components is established with the introduction of the regularizing term and a merge step, similar to those applied in reversible jump Markov chain Monte Carlo methods used in Bayesian clustering. Consequently, the turtle shell method -- a fully unsupervised clustering method capable of estimating non-linear boundary lines, automatically selecting the number of components, and capturing intuitive clusters in the presence of data abnormalities such as noise and/or irregular cluster shapes -- is introduced. We test this method on various simulated and real datasets commonly explored in clustering research, and extend the analysis to datasets arising from flow cytometry experiments.


CODA: Coordination via On-Policy Diffusion for Multi-Agent Offline Reinforcement Learning

arXiv.org Machine Learning

Offline multi-agent reinforcement learning (MARL) enables policy learning from fixed datasets, but is prone to coordination failure: agents trained on static, off-policy data converge to suboptimal joint behaviours because they cannot co-adapt as their policies change. We introduce CODA (Coordination via On-Policy Diffusion for Multi-Agent Reinforcement Learning), a diffusion-based multi-agent trajectory generator for data augmentation that samples conditioned on the current joint policy, producing synthetic experience which reflects the evolving behaviours of the agents, thereby providing a mechanism for co-adaptation. We find that previous diffusion-based augmentation approaches are insufficient for fostering multi-agent coordination because they produce static augmented datasets that do not evolve as the current joint policy changes during training; CODA resolves this by more closely simulating on-policy learning and is a meaningful step toward coordinated behaviours in the offline setting. CODA is algorithm-agnostic and can be layered onto both model-free and model-based offline reinforcement learning pipelines as an augmentation module. Empirically, CODA not only resolves canonical coordination pathologies in continuous polynomial games but also delivers strong results on the more complex MaMuJoCo continuous-control benchmarks.


MCMC with Adaptive Principal-Component Transformation: Rotation-Invariant Universal Samplers for Bayesian Structural System Identification

arXiv.org Machine Learning

Over decades, Markov chain Monte Carlo (MCMC) methods have been widely studied, with a typical application being the quantification of posterior uncertainties in Bayesian system identification of structural dynamic models. To address the issue of excessively low sampling efficiency in generic MCMC methods when applied to specific problems, researchers developed several MCMC algorithms that integrate trainable neural networks to replace and enhance their critical components. Later, meta-learning MCMC methods emerged to reduce training time. However, they require considerable similarity between test and training tasks, while their sampling efficiency is constrained by trade-off-simplified network designs. This paper proposes the Adaptive Principal-Component (PC) Meta-learning Stochastic Gradient Hamiltonian Monte Carlo (APM-SGHMC) algorithm. It adaptively rotates coordinate axes in the parameter space to align with the PC directions of the current posterior samples, ensuring rotation-invariance of sampling performance with respect to the posterior distribution. By incorporating translation-invariance, scale-invariance, and rotation-invariance in a unified framework, APM-SGHMC enables universal samplers to acquire generalizable knowledge across diverse Bayesian system identification tasks using minimalistic tasks while eliminating the constraints imposed by network design trade-offs on sampling efficiency. Practical feasibility issues are also addressed. Two Bayesian system identification case studies demonstrate its effectiveness and universality: our method overcomes the case-by-case limitations of traditional data-driven approaches, achieving zero-shot generalization across structurally distinct models without retraining and maintaining consistent superior performance across all scenarios.


Anchored Variational Inference for Personalized Sequential Latent-State Models

arXiv.org Machine Learning

Sequential latent-variable models with subject-specific random effects provide a flexible framework for modeling temporally structured data with both local latent dynamics and stable between-subject heterogeneity. In such models, conditional inference for the local latent process is often tractable, but integrating over subject-specific random effects can be computationally demanding. We propose an anchored variational inference framework for efficient approximate inference in this setting. The central idea is to replace the full conditional posterior of the local latent process with its evaluation at a representative value of the subject-specific latent effect, called the anchor point, thereby preserving tractable local inference while substantially reducing computational cost. This approximation is especially appealing in sequential settings, where the posterior distribution of the random effect becomes increasingly concentrated as the sequence length grows. Under suitable conditions, we show that the posterior mean is a nearly optimal anchor point and that the resulting anchored variational EM (AVEM) algorithm approximately preserves the local monotonicity behavior of standard variational inference. We instantiate the framework in two representative classes of sequential latent-variable models, namely mixed hidden Markov models and mixed-effects state-space models, derive the corresponding AVEM algorithms, and use simulation studies to indicate that the resulting methods achieve accurate estimation with substantial computational gains. We also discuss a partially anchored variant of the framework, in which only the components of the subject-specific latent effect whose posteriors are well concentrated are anchored.


Causal Representation Learning from General Environments under Nonparametric Mixing

arXiv.org Machine Learning

Causal representation learning aims to recover the latent causal variables and their causal relations, typically represented by directed acyclic graphs (DAGs), from low-level observations such as image pixels. A prevailing line of research exploits multiple environments, which assume how data distributions change, including single-node interventions, coupled interventions, or hard interventions, or parametric constraints on the mixing function or the latent causal model, such as linearity. Despite the novelty and elegance of the results, they are often violated in real problems. Accordingly, we formalize a set of desiderata for causal representation learning that applies to a broader class of environments, referred to as general environments. Interestingly, we show that one can fully recover the latent DAG and identify the latent variables up to minor indeterminacies under a nonparametric mixing function and nonlinear latent causal models, such as additive (Gaussian) noise models or heteroscedastic noise models, by properly leveraging sufficient change conditions on the causal mechanisms up to third-order derivatives. These represent, to our knowledge, the first results to fully recover the latent DAG from general environments under nonparametric mixing. Notably, our results match or improve upon many existing works, but require less restrictive assumptions about changing environments.