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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.


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.


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.


Schema-learning and rebinding as mechanisms of in-context learning and emergence

Neural Information Processing Systems

In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we demonstrate that comparable ICL capabilities can be acquired by an alternative sequence prediction learning method, namely clone-structured causal graphs (CSCGs). A key property of CSCGs is that, unlike transformer-based LLMs, they are interpretable, which considerably simplifies the task of explaining how ICL works. We show that ICL in CSCG uses a combination of (a) learning template (schema) circuits for pattern completion, (b) retrieving relevant templates in a context-sensitive manner, and (c) rebinding novel tokens to appropriate slots in the templates. We go on to marshall evidence for the hypothesis that similar mechanisms underlie ICL in LLMs. For example, we find that, with CSCGs as with LLMs, different capabilities emerge at different levels of overparameterization, suggesting that overparameterization helps in learning more complex template (schema) circuits. By showing how ICL can be achieved with small models and datasets, we open up a path to novel architectures, and take a vital step towards a more general understanding of the mechanics behind this important capability.



Conservative Dual Policy Optimization for Efficient Model-Based Reinforcement Learning

Neural Information Processing Systems

Provably efficient Model-Based Reinforcement Learning (MBRL) based on optimism or posterior sampling (PSRL) is ensured to attain the global optimality asymptotically by introducing the complexity measure of the model. However, the complexity might grow exponentially for the simplest nonlinear models, where global convergence is impossible within finite iterations. When the model suffers a large generalization error, which is quantitatively measured by the model complexity, the uncertainty can be large. The sampled model that current policy is greedily optimized upon will thus be unsettled, resulting in aggressive policy updates and over-exploration. In this work, we propose Conservative Dual Policy Optimization (CDPO) that involves a Referential Update and a Conservative Update. The policy is first optimized under a reference model, which imitates the mechanism of PSRL while offering more stability. A conservative range of randomness is guaranteed by maximizing the expectation of model value. Without harmful sampling procedures, CDPO can still achieve the same regret as PSRL. More importantly, CDPO enjoys monotonic policy improvement and global optimality simultaneously.


PAC: Assisted Value Factorisation with Counterfactual Predictions in Multi-Agent Reinforcement Learning

Neural Information Processing Systems

Multi-agent reinforcement learning (MARL) has witnessed significant progress with the development of value function factorization methods. It allows optimizing a joint action-value function through the maximization of factorized per-agent utilities. In this paper, we show that in partially observable MARL problems, an agent's ordering over its own actions could impose concurrent constraints (across different states) on the representable function class, causing significant estimation errors during training. We tackle this limitation and propose PAC, a new framework leveraging Assistive information generated from Counterfactual Predictions of optimal joint action selection, which enable explicit assistance to value function factorization through a novel counterfactual loss. A variational inference-based information encoding method is developed to collect and encode the counterfactual predictions from an estimated baseline. To enable decentralized execution, we also derive factorized per-agent policies inspired by a maximum-entropy MARL framework. We evaluate the proposed PAC on multi-agent predator-prey and a set of StarCraft II micromanagement tasks. Empirical results demonstrate improved results of PAC over state-of-the-art value-based and policy-based multi-agent reinforcement learning algorithms on all benchmarks.