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 Uncertainty


Interleaved Gibbs Diffusion for Constrained Generation

arXiv.org Artificial Intelligence

We introduce Interleaved Gibbs Diffusion (IGD), a novel generative modeling framework for mixed continuous-discrete data, focusing on constrained generation problems. Prior works on discrete and continuous-discrete diffusion models assume factorized denoising distribution for fast generation, which can hinder the modeling of strong dependencies between random variables encountered in constrained generation. IGD moves beyond this by interleaving continuous and discrete denoising algorithms via a discrete time Gibbs sampling type Markov chain. IGD provides flexibility in the choice of denoisers, allows conditional generation via state-space doubling and inference time scaling via the ReDeNoise method. Empirical evaluations on three challenging tasks-solving 3-SAT, generating molecule structures, and generating layouts-demonstrate state-of-the-art performance. Notably, IGD achieves a 7% improvement on 3-SAT out of the box and achieves state-of-the-art results in molecule generation without relying on equivariant diffusion or domain-specific architectures. We explore a wide range of modeling, and interleaving strategies along with hyperparameters in each of these problems.


Finite Sample Analysis of Distributional TD Learning with Linear Function Approximation

arXiv.org Machine Learning

In this paper, we investigate the finite-sample statistical rates of distributional temporal difference (TD) learning with linear function approximation. The aim of distributional TD learning is to estimate the return distribution of a discounted Markov decision process for a given policy {\pi}. Prior works on statistical analysis of distributional TD learning mainly focus on the tabular case. In contrast, we first consider the linear function approximation setting and derive sharp finite-sample rates. Our theoretical results demonstrate that the sample complexity of linear distributional TD learning matches that of the classic linear TD learning. This implies that, with linear function approximation, learning the full distribution of the return using streaming data is no more difficult than learning its expectation (i.e. the value function). To derive tight sample complexity bounds, we conduct a fine-grained analysis of the linear-categorical Bellman equation, and employ the exponential stability arguments for products of random matrices. Our findings provide new insights into the statistical efficiency of distributional reinforcement learning algorithms.


Robust Optimization with Diffusion Models for Green Security

arXiv.org Artificial Intelligence

In green security, defenders must forecast adversarial behavior, such as poaching, illegal logging, and illegal fishing, to plan effective patrols. These behavior are often highly uncertain and complex. Prior work has leveraged game theory to design robust patrol strategies to handle uncertainty, but existing adversarial behavior models primarily rely on Gaussian processes or linear models, which lack the expressiveness needed to capture intricate behavioral patterns. To address this limitation, we propose a conditional diffusion model for adversary behavior modeling, leveraging its strong distribution-fitting capabilities. To the best of our knowledge, this is the first application of diffusion models in the green security domain. Integrating diffusion models into game-theoretic optimization, however, presents new challenges, including a constrained mixed strategy space and the need to sample from an unnormalized distribution to estimate utilities. To tackle these challenges, we introduce a mixed strategy of mixed strategies and employ a twisted Sequential Monte Carlo (SMC) sampler for accurate sampling. Theoretically, our algorithm is guaranteed to converge to an epsilon equilibrium with high probability using a finite number of iterations and samples. Empirically, we evaluate our approach on both synthetic and real-world poaching datasets, demonstrating its effectiveness.


Partially Observable Gaussian Process Network and Doubly Stochastic Variational Inference

arXiv.org Artificial Intelligence

To reduce the curse of dimensionality for Gaussian processes (GP), they can be decomposed into a Gaussian Process Network (GPN) of coupled subprocesses with lower dimensionality. In some cases, intermediate observations are available within the GPN. However, intermediate observations are often indirect, noisy, and incomplete in most real-world systems. This work introduces the Partially Observable Gaussian Process Network (POGPN) to model real-world process networks. We model a joint distribution of latent functions of subprocesses and make inferences using observations from all subprocesses. POGPN incorporates observation lenses (observation likelihoods) into the well-established inference method of deep Gaussian processes. We also introduce two training methods for POPGN to make inferences on the whole network using node observations. The application to benchmark problems demonstrates how incorporating partial observations during training and inference can improve the predictive performance of the overall network, offering a promising outlook for its practical application.


Inference of Abstraction for Grounded Predicate Logic

arXiv.org Artificial Intelligence

An important open question in AI is what simple and natural principle enables a machine to reason logically for meaningful abstraction with grounded symbols. This paper explores a conceptually new approach to combining probabilistic reasoning and predicative symbolic reasoning over data. We return to the era of reasoning with a full joint distribution before the advent of Bayesian networks. We then discuss that a full joint distribution over models of exponential size in propositional logic and of infinite size in predicate logic should be simply derived from a full joint distribution over data of linear size. We show that the same process is not only enough to generalise the logical consequence relation of predicate logic but also to provide a new perspective to rethink well-known limitations such as the undecidability of predicate logic, the symbol grounding problem and the principle of explosion. The reproducibility of this theoretical work is fully demonstrated by the included proofs.


Robust Counterfactual Inference in Markov Decision Processes

arXiv.org Artificial Intelligence

This paper addresses a key limitation in existing counterfactual inference methods for Markov Decision Processes (MDPs). Current approaches assume a specific causal model to make counterfactuals identifiable. However, there are usually many causal models that align with the observational and interventional distributions of an MDP, each yielding different counterfactual distributions, so fixing a particular causal model limits the validity (and usefulness) of counterfactual inference. W e propose a novel non-parametric approach that computes tight bounds on counterfactual transition probabilities across all compatible causal models. Unlike previous methods that require solving prohibitively large optimisation problems (with variables that grow exponentially in the size of the MDP), our approach provides closed-form expressions for these bounds, making computation highly efficient and scalable for non-trivial MDPs. Once such an interval counterfactual MDP is constructed, our method identifies robust counterfactual policies that optimise the worst-case reward w.r.t. the uncertain interval MDP probabilities. W e evaluate our method on various case studies, demonstrating improved robustness over existing methods.


Mixup Regularization: A Probabilistic Perspective

arXiv.org Machine Learning

In recent years, mixup regularization has gained popularity as an effective way to improve the generalization performance of deep learning models by training on convex combinations of training data. While many mixup variants have been explored, the proper adoption of the technique to conditional density estimation and probabilistic machine learning remains relatively unexplored. This work introduces a novel framework for mixup regularization based on probabilistic fusion that is better suited for conditional density estimation tasks. For data distributed according to a member of the exponential family, we show that likelihood functions can be analytically fused using log-linear pooling. We further propose an extension of probabilistic mixup, which allows for fusion of inputs at an arbitrary intermediate layer of the neural network. We provide a theoretical analysis comparing our approach to standard mixup variants. Empirical results on synthetic and real datasets demonstrate the benefits of our proposed framework compared to existing mixup variants.


Conformal Prediction as Bayesian Quadrature

arXiv.org Machine Learning

As machine learning-based prediction systems are increasingly used in high-stakes situations, it is important to understand how such predictive models will perform upon deployment. Distribution-free uncertainty quantification techniques such as conformal prediction provide guarantees about the loss black-box models will incur even when the details of the models are hidden. However, such methods are based on frequentist probability, which unduly limits their applicability. We revisit the central aspects of conformal prediction from a Bayesian perspective and thereby illuminate the shortcomings of frequentist guarantees. We propose a practical alternative based on Bayesian quadrature that provides interpretable guarantees and offers a richer representation of the likely range of losses to be observed at test time.


Tell Me Why: Incentivizing Explanations

arXiv.org Artificial Intelligence

Common sense suggests that when individuals explain why they believe something, we can arrive at more accurate conclusions than when they simply state what they believe. Yet, there is no known mechanism that provides incentives to elicit explanations for beliefs from agents. This likely stems from the fact that standard Bayesian models make assumptions (like conditional independence of signals) that preempt the need for explanations, in order to show efficient information aggregation. A natural justification for the value of explanations is that agents' beliefs tend to be drawn from overlapping sources of information, so agents' belief reports do not reveal all that needs to be known. Indeed, this work argues that rationales-explanations of an agent's private information-lead to more efficient aggregation by allowing agents to efficiently identify what information they share and what information is new. Building on this model of rationales, we present a novel 'deliberation mechanism' to elicit rationales from agents in which truthful reporting of beliefs and rationales is a perfect Bayesian equilibrium.


Model selection for behavioral learning data and applications to contextual bandits

arXiv.org Machine Learning

Learning for animals or humans is the process that leads to behaviors better adapted to the environment. This process highly depends on the individual that learns and is usually observed only through the individual's actions. This article presents ways to use this individual behavioral data to find the model that best explains how the individual learns. We propose two model selection methods: a general hold-out procedure and an AIC-type criterion, both adapted to non-stationary dependent data. We provide theoretical error bounds for these methods that are close to those of the standard i.i.d. case. To compare these approaches, we apply them to contextual bandit models and illustrate their use on both synthetic and experimental learning data in a human categorization task.