Learning Graphical Models
Amortized Simulation-Based Inference in Generalized Bayes via Neural Posterior Estimation
Sun, Shiyi, Nicholls, Geoff K., Lee, Jeong Eun
Generalized Bayesian Inference (GBI) tempers a loss with a temperature $β>0$ to mitigate overconfidence and improve robustness under model misspecification, but existing GBI methods typically rely on costly MCMC or SDE-based samplers and must be re-run for each new dataset and each $β$ value. We give the first fully amortized variational approximation to the tempered posterior family $p_β(θ\mid x) \propto π(θ)\,p(x \mid θ)^β$ by training a single $(x,β)$-conditioned neural posterior estimator $q_ϕ(θ\mid x,β)$ that enables sampling in a single forward pass, without simulator calls or inference-time MCMC. We introduce two complementary training routes: (i) synthesize off-manifold samples $(θ,x) \sim π(θ)\,p(x \mid θ)^β$ and (ii) reweight a fixed base dataset $π(θ)\,p(x \mid θ)$ using self-normalized importance sampling (SNIS). We show that the SNIS-weighted objective provides a consistent forward-KL fit to the tempered posterior with finite weight variance. Across four standard simulation-based inference (SBI) benchmarks, including the chaotic Lorenz-96 system, our $β$-amortized estimator achieves competitive posterior approximations in standard two-sample metrics, matching non-amortized MCMC-based power-posterior samplers over a wide range of temperatures.
Corrected Samplers for Discrete Flow Models
Wan, Zhengyan, Ouyang, Yidong, Xie, Liyan, Fang, Fang, Zha, Hongyuan, Cheng, Guang
Discrete flow models (DFMs) have been proposed to learn the data distribution on a finite state space, offering a flexible framework as an alternative to discrete diffusion models. A line of recent work has studied samplers for discrete diffusion models, such as tau-leaping and Euler solver. However, these samplers require a large number of iterations to control discretization error, since the transition rates are frozen in time and evaluated at the initial state within each time interval. Moreover, theoretical results for these samplers often require boundedness conditions of the transition rate or they focus on a specific type of source distributions. To address those limitations, we establish non-asymptotic discretization error bounds for those samplers without any restriction on transition rates and source distributions, under the framework of discrete flow models. Furthermore, by analyzing a one-step lower bound of the Euler sampler, we propose two corrected samplers: \textit{time-corrected sampler} and \textit{location-corrected sampler}, which can reduce the discretization error of tau-leaping and Euler solver with almost no additional computational cost. We rigorously show that the location-corrected sampler has a lower iteration complexity than existing parallel samplers. We validate the effectiveness of the proposed method by demonstrating improved generation quality and reduced inference time on both simulation and text-to-image generation tasks. Code can be found in https://github.com/WanZhengyan/Corrected-Samplers-for-Discrete-Flow-Models.
Neural-Inspired Posterior Approximation (NIPA)
Shahbaba, Babak, Moslemi, Zahra
Humans learn efficiently from their environment by engaging multiple interacting neural systems that support distinct yet complementary forms of control, including model-based (goal-directed) planning, model-free (habitual) responding, and episodic memory-based learning. Model-based mechanisms compute prospective action values using an internal model of the environment, supporting flexible but computationally costly planning; model-free mechanisms cache value estimates and build heuristics that enable fast, efficient habitual responding; and memory-based mechanisms allow rapid adaptation from individual experience. In this work, we aim to elucidate the computational principles underlying this biological efficiency and translate them into a sampling algorithm for scalable Bayesian inference through effective exploration of the posterior distribution. More specifically, our proposed algorithm comprises three components: a model-based module that uses the target distribution for guided but computationally slow sampling; a model-free module that uses previous samples to learn patterns in the parameter space, enabling fast, reflexive sampling without directly evaluating the expensive target distribution; and an episodic-control module that supports rapid sampling by recalling specific past events (i.e., samples). We show that this approach advances Bayesian methods and facilitates their application to large-scale statistical machine learning problems. In particular, we apply our proposed framework to Bayesian deep learning, with an emphasis on proper and principled uncertainty quantification.
Cascaded Flow Matching for Heterogeneous Tabular Data with Mixed-Type Features
Mueller, Markus, Gruber, Kathrin, Fok, Dennis
Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a single feature remains challenging. We advance the state-of-the-art in diffusion models for tabular data with a cascaded approach. We first generate a low-resolution version of a tabular data row, that is, the collection of the purely categorical features and a coarse categorical representation of numerical features. Next, this information is leveraged in the high-resolution flow matching model via a novel guided conditional probability path and data-dependent coupling. The low-resolution representation of numerical features explicitly accounts for discrete outcomes, such as missing or inflated values, and therewith enables a more faithful generation of mixed-type features. We formally prove that this cascade tightens the transport cost bound. The results indicate that our model generates significantly more realistic samples and captures distributional details more accurately, for example, the detection score increases by 40%.
Supervised Guidance Training for Infinite-Dimensional Diffusion Models
Baker, Elizabeth L., Denker, Alexander, Frellsen, Jes
Score-based diffusion models have recently been extended to infinite-dimensional function spaces, with uses such as inverse problems arising from partial differential equations. In the Bayesian formulation of inverse problems, the aim is to sample from a posterior distribution over functions obtained by conditioning a prior on noisy observations. While diffusion models provide expressive priors in function space, the theory of conditioning them to sample from the posterior remains open. We address this, assuming that either the prior lies in the Cameron-Martin space, or is absolutely continuous with respect to a Gaussian measure. We prove that the models can be conditioned using an infinite-dimensional extension of Doob's $h$-transform, and that the conditional score decomposes into an unconditional score and a guidance term. As the guidance term is intractable, we propose a simulation-free score matching objective (called Supervised Guidance Training) enabling efficient and stable posterior sampling. We illustrate the theory with numerical examples on Bayesian inverse problems in function spaces. In summary, our work offers the first function-space method for fine-tuning trained diffusion models to accurately sample from a posterior.
A Theory of Universal Agnostic Learning
We provide a complete theory of optimal universal rates for binary classification in the agnostic setting. This extends the realizable-case theory of Bousquet, Hanneke, Moran, van Handel, and Yehudayoff (2021) by removing the realizability assumption on the distribution. We identify a fundamental tetrachotomy of optimal rates: for every concept class, the optimal universal rate of convergence of the excess error rate is one of $e^{-n}$, $e^{-o(n)}$, $o(n^{-1/2})$, or arbitrarily slow. We further identify simple combinatorial structures which determine which of these categories any given concept class falls into.
Factorizable joint shift revisited
Such failure can be caused by distribution shift (also known as dataset shift) between the training and test datasets. For this reason, distribution shift and domain adaptation (a notion comprising techniques for tackling distribution shift) has been a major research topic in machine learning for some time. This paper takes the perspective of Kouw and Loog (2021) and studies the case where feature observations from the test dataset are available for analysis but observations of labels are missing. Under these circumstances, without any assumptions on the nature of the distribution shift between the training and test datasets meaningful prediction of the labels in the test dataset or of their distribution is not feasible. See Kouw and Loog (2021) for a survey of approaches to domain adaptation and their related assumptions. Arguably, covariate shift (also known as population drift) and label shift (also known as prior probability shift or target shift) are the most popular specific distribution shift assumptions, both for their intuiveness as well as their computational manageability. However, exclusive covariate and label shift assumptions have been criticised for being insufficient for common domain adaptation tasks (e.g.
On Forgetting and Stability of Score-based Generative models
Strasman, Stanislas, Cardoso, Gabriel, Corff, Sylvain Le, Lemaire, Vincent, Ocello, Antonio
Understanding the stability and long-time behavior of generative models is a fundamental problem in modern machine learning. This paper provides quantitative bounds on the sampling error of score-based generative models by leveraging stability and forgetting properties of the Markov chain associated with the reverse-time dynamics. Under weak assumptions, we provide the two structural properties to ensure the propagation of initialization and discretization errors of the backward process: a Lyapunov drift condition and a Doeblin-type minorization condition. A practical consequence is quantitative stability of the sampling procedure, as the reverse diffusion dynamics induces a contraction mechanism along the sampling trajectory. Our results clarify the role of stochastic dynamics in score-based models and provide a principled framework for analyzing propagation of errors in such approaches.
Optimistic Transfer under Task Shift via Bellman Alignment
Chai, Jinhang, Zhang, Enpei, Chen, Elynn, Yan, Yujun
We study online transfer reinforcement learning (RL) in episodic Markov decision processes, where experience from related source tasks is available during learning on a target task. A fundamental difficulty is that task similarity is typically defined in terms of rewards or transitions, whereas online RL algorithms operate on Bellman regression targets. As a result, naively reusing source Bellman updates introduces systematic bias and invalidates regret guarantees. We identify one-step Bellman alignment as the correct abstraction for transfer in online RL and propose re-weighted targeting (RWT), an operator-level correction that retargets continuation values and compensates for transition mismatch via a change of measure. RWT reduces task mismatch to a fixed one-step correction and enables statistically sound reuse of source data. This alignment yields a two-stage RWT $Q$-learning framework that separates variance reduction from bias correction. Under RKHS function approximation, we establish regret bounds that scale with the complexity of the task shift rather than the target MDP. Empirical results in both tabular and neural network settings demonstrate consistent improvements over single-task learning and naïve pooling, highlighting Bellman alignment as a model-agnostic transfer principle for online RL.
Bulk-Calibrated Credal Ambiguity Sets: Fast, Tractable Decision Making under Out-of-Sample Contamination
Chen, Mengqi, Berrett, Thomas B., Damoulas, Theodoros, Caprio, Michele
Distributionally robust optimisation (DRO) minimises the worst-case expected loss over an ambiguity set that can capture distributional shifts in out-of-sample environments. While Huber (linear-vacuous) contamination is a classical minimal-assumption model for an $\varepsilon$-fraction of arbitrary perturbations, including it in an ambiguity set can make the worst-case risk infinite and the DRO objective vacuous unless one imposes strong boundedness or support assumptions. We address these challenges by introducing bulk-calibrated credal ambiguity sets: we learn a high-mass bulk set from data while considering contamination inside the bulk and bounding the remaining tail contribution separately. This leads to a closed-form, finite $\mathrm{mean}+\sup$ robust objective and tractable linear or second-order cone programs for common losses and bulk geometries. Through this framework, we highlight and exploit the equivalence between the imprecise probability (IP) notion of upper expectation and the worst-case risk, demonstrating how IP credal sets translate into DRO objectives with interpretable tolerance levels. Experiments on heavy-tailed inventory control, geographically shifted house-price regression, and demographically shifted text classification show competitive robustness-accuracy trade-offs and efficient optimisation times, using Bayesian, frequentist, or empirical reference distributions.