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 Learning Graphical Models


Credal Prediction based on Relative Likelihood

Neural Information Processing Systems

Predictions in the form of sets of probability distributions, so-called credal sets, provide a suitable means to represent a learner's epistemic uncertainty. In this paper, we propose a theoretically grounded approach to credal prediction based on the statistical notion of relative likelihood: The target of prediction is the set of all (conditional) probability distributions produced by the collection of plausible models, namely those models whose relative likelihood exceeds a specified threshold. This threshold has an intuitive interpretation and allows for controlling the trade-off between correctness and precision of credal predictions. We tackle the problem of approximating credal sets defined in this way by means of suitably modified ensemble learning techniques. To validate our approach, we illustrate its effectiveness by experiments on benchmark datasets demonstrating superior uncertainty representation without compromising predictive performance. We also compare our method against several state-of-the-art baselines in credal prediction.


Noisy Multi-Label Learning through Co-Occurrence-Aware Diffusion

Neural Information Processing Systems

Noisy labels often compel models to overfit, especially in multi-label classification tasks. Existing methods for noisy multi-label learning (NML) primarily follow a discriminative paradigm, which relies on noise transition matrix estimation or small-loss strategies to correct noisy labels. However, they remain substantial optimization difficulties compared to noisy single-label learning. In this paper, we propose a Co-Occurrence-Aware Diffusion (CAD) model, which reformulates NML from a generative perspective. We treat features as conditions and multilabels as diffusion targets, optimizing the diffusion model for multi-label learning with theoretical guarantees. Benefiting from the diffusion model's strength in capturing multi-object semantics and structured label matrix representation, we can effectively learn the posterior mapping from features to true multi-labels. To mitigate the interference of noisy labels in the forward process, we guide generation using pseudo-clean labels reconstructed from the latent neighborhood space, replacing original point-wise estimates with neighborhood-based proxies. In the reverse process, we further incorporate label co-occurrence constraints to enhance the model's awareness of incorrect generation directions, thereby promoting robust optimization. Extensive experiments on both synthetic (Pascal-VOC, MS-COCO) and real-world (NUS-WIDE) noisy datasets demonstrate that our approach outperforms state-of-the-art methods.


Optimizing the Unknown: Black Box Bayesian Optimization with Energy-Based Model and Reinforcement Learning

Neural Information Processing Systems

However, these methods often suffer from a significant one-step bias, which may lead to convergence towards local optima and poor performance in complex or high-dimensional tasks. Recently, Black-Box Optimization (BBO) has achieved success across various scientific and engineering domains, particularly when function evaluations are costly and gradients are unavailable. Motivated by this, we propose the Reinforced EnergyBased Model for Bayesian Optimization (REBMBO), which integrates Gaussian Processes (GP) for local guidance with an Energy-Based Model (EBM) to capture global structural information. Notably, we define each Bayesian Optimization iteration as a Markov Decision Process (MDP) and use Proximal Policy Optimization (PPO) for adaptive multi-step lookahead, dynamically adjusting the depth and direction of exploration to effectively overcome the limitations of traditional BO methods. We conduct extensive experiments on synthetic and real-world benchmarks, confirming the superior performance of REBMBO.


DOTA: DistributiOnal Test-time Adaptation of Vision-Language Models

Neural Information Processing Systems

However, deploying these models can be unreliable when significant distribution gaps exist between training and test data, while fine-tuning for diverse scenarios is often costly. This creates a need for methods that can efficiently adapt to new data at test time without expensive retraining. Cache-based test-time adapters serve this purpose by storing representative test samples to guide subsequent classifications. Yet, these methods typically employ naive cache management with limited capacity, leading to severe catastrophic forgetting when samples are inevitably dropped during updates. In this paper, we propose Dota(DistributiOnal Test-time Adaptation), a simple yet effective method addressing this limitation. Crucially, instead of merely memorizing individual test samples, Dotacontinuously estimates the underlying distribution of the test data stream. Test-time posterior probabilities are then computed using these dynamically estimated distributions via Bayes' theorem for adaptation. This distribution-centric approach enables the model to continually learn and adapt to the deployment environment. Extensive experiments validate that Dota significantly mitigates forgetting and achieves state-of-the-art performance compared to existing methods.


Targeted Maximum Likelihood Learning: An Optimization Perspective

Neural Information Processing Systems

Targeted maximum likelihood estimation (TMLE) is a widely used debiasing algorithm for plug-in estimation. While its statistical guarantees, such as double robustness and asymptotic efficiency, are well-studied, the convergence properties of TMLE as an iterative optimization scheme have remained underexplored. To bridge this gap, we study TMLE's iterative updates through an optimization-theoretic lens, establishing global convergence under standard assumptions and regularity conditions. We begin by providing the first complete characterization of different stopping criteria and their relationship to convergence in TMLE. Next, we provide geometric insights.


Planning and Learning in Average Risk-aware MDPs

Neural Information Processing Systems

For continuing tasks, average cost Markov decision processes have welldocumented value and can be solved using efficient algorithms. However, it explicitly assumes that the agent is risk-neutral. In this work, we extend risk-neutral algorithms to accommodate the more general class of dynamic risk measures. Specifically, we propose a relative value iteration (RVI) algorithm for planning and design two model-free Q-learning algorithms, namely a generic algorithm based on the multi-level Monte Carlo (MLMC) method, and an off-policy algorithm dedicated to utility-based shortfall risk measures. Both the RVI and MLMC-based Qlearning algorithms are proven to converge to optimality. Numerical experiments validate our analysis, confirm empirically the convergence of the off-policy algorithm, and demonstrate that our approach enables the identification of policies that are finely tuned to the intricate risk-awareness of the agent that they serve.


DSCS: Fast CPDAG-Based Verification of Collapsible Submodels in High-Dimensional Bayesian Networks

Neural Information Processing Systems

Bayesian networks (BNs), represented by directed acyclic graphs (DAGs), provide a principled framework for modeling complex dependencies among random variables. As data dimensionality increases into the tens of thousands, fitting and marginalizing a full BN becomes computationally prohibitive--particularly when inference is only needed for a small subset of variables. Estimation-collapsibility addresses this challenge by ensuring that directly fitting a submodel, obtained by ignoring non-essential variables, still yields exact inference on target variables. However, current DAG-based criterion for checking estimation-collapsibility is computationally intensive, involving exhaustive vertex searches and iterative removals. Additionally, practical applications typically identify the underlying DAG only up to its Markov equivalence class, represented by a completed partially directed acyclic graph (CPDAG). To bridge this gap, we introduce sequential c-simplicial sets--a novel graphical characterization of estimation-collapsibility directly applicable to CPDAGs. We further propose DSCS, a computationally efficient algorithm for verifying estimation-collapsibility within CPDAG framework that scales effectively to high-dimensional BNs. Extensive numerical experiments demonstrate the practicality, scalability, and efficiency of our proposed approach.


Learning Personalized Ad Impact via Contextual Reinforcement Learning under Delayed Rewards

Neural Information Processing Systems

Online advertising platforms use automated auctions to connect advertisers with potential customers, requiring effective bidding strategies to maximize profits. Accurate ad impact estimation requires considering three key factors: delayed and long-term effects, cumulative ad impacts such as reinforcement or fatigue, and customer heterogeneity. However, these effects are often not jointly addressed in previous studies. To capture these factors, we model ad bidding as a Contextual Markov Decision Process (CMDP) with delayed Poisson rewards. For efficient estimation, we propose a two-stage maximum likelihood estimator combined with data-splitting strategies, ensuring controlled estimation error based on the first-stage estimator's (in)accuracy. Building on this, we design a reinforcement learning algorithm to derive efficient personalized bidding strategies. This approach achieves a near-optimal regret bound of O(dH2 T), where d is the contextual dimension, H is the number of rounds, and T is the number of customers. Our theoretical findings are validated by simulation experiments.


Integral Imprecise Probability Metrics

Neural Information Processing Systems

Quantifying differences between probability distributions is fundamental to statistics and machine learning, primarily for comparing statistical uncertainty. In contrast, epistemic uncertainty--due to incomplete knowledge--requires richer representations than those offered by classical probability. Imprecise probability (IP) theory offers such models, capturing ambiguity and partial belief. This has driven growing interest in imprecise probabilistic machine learning (IPML), where inference and decision-making rely on broader uncertainty models--highlighting the need for metrics beyond classical probability. This work introduces the Integral Imprecise Probability Metric (IIPM) framework, a Choquet integral-based generalisation of classical Integral Probability Metrics (IPMs) to the setting of capacities--a broad class of IP models encompassing many existing ones, including lower probabilities, probability intervals, belief functions, and more. Theoretically, we establish conditions under which IIPM serves as a valid metric and metrises a form of weak convergence of capacities. Practically, IIPM not only enables comparison across different IP models but also supports the quantification of epistemic uncertainty (EU) within a single IP model. In particular, by comparing an IP model with its conjugate, IIPM gives rise to a new class of EU measures--Maximum Mean Imprecisions (MMIs)--which satisfy key axiomatic properties proposed in the uncertainty quantification literature. We validate MMI through selective classification experiments, demonstrating strong empirical performance against established EU measures, and outperforming them when classical methods struggle to scale to a large number of classes.


Edit Flows: Variable Length Discrete Flow Matching with Sequence-Level Edit Operations

Neural Information Processing Systems

Autoregressive generative models naturally generate variable-length sequences, while non-autoregressive models struggle, often imposing rigid, token-wise structures. We propose Edit Flows, a non-autoregressive model that overcomes these limitations by defining a discrete flow over sequences through edit operations-- insertions, deletions, and substitutions. By modeling these operations within a Continuous-time Markov Chain over the sequence space, Edit Flows enable flexible, position-relative generation that aligns more closely with the structure of sequence data. Our training method leverages an expanded state space with auxiliary variables, making the learning process efficient and tractable. Empirical results show that Edit Flows outperforms both autoregressive and mask models on image captioning and significantly outperforms the mask construction in text and code generation.