In single-cell perturbation prediction, a central task is to forecast the effects of perturbing a gene unseen in the training data. The efficacy of such predictions depends on two factors: (1) the similarity of the target gene to those covered in the training data, which informs model (epistemic) uncertainty, and (2) the quality of the corresponding training data, which reflects data (aleatoric) uncertainty. Both factors are critical for determining the reliability of a prediction, particularly as gene perturbation is an inherently stochastic biochemical process. In this paper, we propose PRESCRIBE (PREdicting Single-Cell Response wIth Bayesian Estimation), a multivariate deep evidential regression framework designed to measure both sources of uncertainty jointly. Our analysis demonstrates that PRESCRIBE effectively estimates a confidence score for each prediction, which strongly correlates with its empirical accuracy. This capability enables the filtering of untrustworthy results, and in our experiments, it achieves steady accuracy improvements of over 3% compared to comparable baselines.

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 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.

We study the problem of posterior sampling in discrete-state spaces using discrete diffusion models. While posterior sampling methods for continuous diffusion models have achieved remarkable progress, analogous methods for discrete diffusion models remain challenging. In this work, we introduce a principled plug-and-play discrete diffusion posterior sampling algorithm based on split Gibbs sampling, which we call SGDD. Our algorithm enables reward-guided generation and solving inverse problems in discrete-state spaces. We demonstrate the convergence of SGDD to the target posterior distribution and verify this through controlled experiments on synthetic benchmarks. Our method enjoys state-of-the-art posterior sampling performance on a range of benchmarks for discrete data, including DNA sequence design, discrete image inverse problems, and music infilling, achieving more than 30% improved performance compared to existing baselines.

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.

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.

We address the challenge of efficient exploration in model-based reinforcement learning (MBRL), where the system dynamics are unknown and the RL agent must learn directly from online interactions. We propose Scalable and Optimistic MBRL (SOMBRL), an approach based on the principle of optimism in the face of uncertainty. SOMBRL learns an uncertainty-aware dynamics model and greedily maximizes a weighted sum of the extrinsic reward and the agent's epistemic uncertainty. SOMBRL is compatible with any policy optimizers or planners, and under common regularity assumptions on the system, we show that SOMBRL has sublinear regret for nonlinear dynamics in the (i) finite-horizon, (ii) discounted infinite-horizon, and (iii) non-episodic settings. Additionally, SOMBRL offers a flexible and scalable solution for principled exploration. We evaluate SOMBRL on state-based and visual-control environments, where it displays strong performance across all tasks and baselines. We also evaluate SOMBRL on a dynamic RC car hardware and show SOMBRL outperforms the state-of-the-art, illustrating the benefits of principled exploration for MBRL.

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.

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.

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.