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 Learning Graphical Models


Beyond Redundancy: Information-aware Unsupervised Multiplex Graph Structure Learning

Neural Information Processing Systems

Unsupervised Multiplex Graph Learning (UMGL) aims to learn node representations on various edge types without manual labeling. However, existing research overlooks a key factor: the reliability of the graph structure. Real-world data often exhibit a complex nature and contain abundant task-irrelevant noise, severely compromising UMGL's performance. Moreover, existing methods primarily rely on contrastive learning to maximize mutual information across different graphs, limiting them to multiplex graph redundant scenarios and failing to capture view-unique task-relevant information. In this paper, we focus on a more realistic and challenging task: to unsupervisedly learn a fused graph from multiple graphs that preserve sufficient task-relevant information while removing task-irrelevant noise. Specifically, our proposed Information-aware Unsupervised Multiplex Graph Fusion framework (InfoMGF) uses graph structure refinement to eliminate irrelevant noise and simultaneously maximizes view-shared and view-unique task-relevant information, thereby tackling the frontier of non-redundant multiplex graph.


Near-Optimal Randomized Exploration for Tabular Markov Decision Processes

Neural Information Processing Systems

We study algorithms using randomized value functions for exploration in reinforcement learning. This type of algorithms enjoys appealing empirical performance. We show that when we use 1) a single random seed in each episode, and 2) a Bernstein-type magnitude of noise, we obtain a worst-case \widetilde{O}\left(H\sqrt{SAT}\right) regret bound for episodic time-inhomogeneous Markov Decision Process where S is the size of state space, A is the size of action space, H is the planning horizon and T is the number of interactions. This bound polynomially improves all existing bounds for algorithms based on randomized value functions, and for the first time, matches the \Omega\left(H\sqrt{SAT}\right) lower bound up to logarithmic factors. Our result highlights that randomized exploration can be near-optimal, which was previously achieved only by optimistic algorithms.


Bayesian Deep Learning and a Probabilistic Perspective of Generalization

Neural Information Processing Systems

The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which are typically underspecified by the data, and can represent many compelling but different solutions. We show that deep ensembles provide an effective mechanism for approximate Bayesian marginalization, and propose a related approach that further improves the predictive distribution by marginalizing within basins of attraction, without significant overhead. We also investigate the prior over functions implied by a vague distribution over neural network weights, explaining the generalization properties of such models from a probabilistic perspective. From this perspective, we explain results that have been presented as mysterious and distinct to neural network generalization, such as the ability to fit images with random labels, and show that these results can be reproduced with Gaussian processes.


OpenGSL: A Comprehensive Benchmark for Graph Structure Learning

Neural Information Processing Systems

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies.


Is Score Matching Suitable for Estimating Point Processes?

Neural Information Processing Systems

Score matching estimators for point processes have gained widespread attention in recent years because they do not require the calculation of intensity integrals, thereby effectively addressing the computational challenges in maximum likelihood estimation (MLE). Some existing works have proposed score matching estimators for point processes. However, this work demonstrates that the incompleteness of the estimators proposed in those works renders them applicable only to specific problems, and they fail for more general point processes. To address this issue, this work introduces the weighted score matching estimator to point processes. Theoretically, we prove the consistency of the estimator we propose. Experimental results indicate that our estimator accurately estimates model parameters on synthetic data and yields results consistent with MLE on real data.


Inverse Optimal Control Adapted to the Noise Characteristics of the Human Sensorimotor System

Neural Information Processing Systems

Computational level explanations based on optimal feedback control with signal-dependent noise have been able to account for a vast array of phenomena in human sensorimotor behavior. However, commonly a cost function needs to be assumed for a task and the optimality of human behavior is evaluated by comparing observed and predicted trajectories. Here, we introduce inverse optimal control with signal-dependent noise, which allows inferring the cost function from observed behavior. To do so, we formalize the problem as a partially observable Markov decision process and distinguish between the agent's and the experimenter's inference problems. Specifically, we derive a probabilistic formulation of the evolution of states and belief states and an approximation to the propagation equation in the linear-quadratic Gaussian problem with signal-dependent noise.


Policy Optimization for Robust Average Reward MDPs

Neural Information Processing Systems

This paper studies first-order policy optimization for robust average cost Markov decision processes (MDPs). Specifically, we focus on ergodic Markov chains. For robust average cost MDPs, the goal is to optimize the worst-case average cost over an uncertainty set of transition kernels. We first develop a sub-gradient of the robust average cost. Based on the sub-gradient, a robust policy mirror descent approach is further proposed.


Recurrent Reinforcement Learning with Memoroids

Neural Information Processing Systems

Memory models such as Recurrent Neural Networks (RNNs) and Transformers address Partially Observable Markov Decision Processes (POMDPs) by mapping trajectories to latent Markov states. Neither model scales particularly well to long sequences, especially compared to an emerging class of memory models called Linear Recurrent Models. We discover that the recurrent update of these models resembles a monoid, leading us to reformulate existing models using a novel monoid-based framework that we call memoroids. We revisit the traditional approach to batching in recurrent reinforcement learning, highlighting theoretical and empirical deficiencies. We leverage memoroids to propose a batching method that improves sample efficiency, increases the return, and simplifies the implementation of recurrent loss functions in reinforcement learning.


Sequential Probability Assignment with Contexts: Minimax Regret, Contextual Shtarkov Sums, and Contextual Normalized Maximum Likelihood

Neural Information Processing Systems

We study the fundamental problem of sequential probability assignment, also known as online learning with logarithmic loss, with respect to an arbitrary, possibly nonparametric hypothesis class. Our goal is to obtain a complexity measure for the hypothesis class that characterizes the minimax regret and to determine a general, minimax optimal algorithm. Notably, the sequential \ell_{\infty} entropy, extensively studied in the literature (Rakhlin and Sridharan, 2015, Bilodeau et al., 2020, Wu et al., 2023), was shown to not characterize minimax regret in general. Inspired by the seminal work of Shtarkov (1987) and Rakhlin, Sridharan, and Tewari (2010), we introduce a novel complexity measure, the \emph{contextual Shtarkov sum}, corresponding to the Shtarkov sum after projection onto a multiary context tree, and show that the worst case log contextual Shtarkov sum equals the minimax regret. Using the contextual Shtarkov sum, we derive the minimax optimal strategy, dubbed \emph{contextual Normalized Maximum Likelihood} (cNML).


Rescuing neural spike train models from bad MLE

Neural Information Processing Systems

The standard approach to fitting an autoregressive spike train model is to maximize the likelihood for one-step prediction. This maximum likelihood estimation (MLE) often leads to models that perform poorly when generating samples recursively for more than one time step. Moreover, the generated spike trains can fail to capture important features of the data and even show diverging firing rates. To alleviate this, we propose to directly minimize the divergence between neural recorded and model generated spike trains using spike train kernels. We develop a method that stochastically optimizes the maximum mean discrepancy induced by the kernel. Experiments performed on both real and synthetic neural data validate the proposed approach, showing that it leads to well-behaving models.