Stochastic gradient Markov chain Monte Carlo (SGMCMC) methods enable scalable Bayesian inference, but their performance depends strongly on hyperparameters such as the step size, mini-batch size, and number of leapfrog steps. Since most SGMCMC algorithms lack a Metropolis-Hastings acceptance rate, standard acceptance-based tuning methods are not directly applicable. We propose HyperMC, a multi-fidelity tuning framework that combines Hyperband-style resource allocation with kernel Stein discrepancy (KSD) evaluation. By running multiple successive-halving brackets, HyperMC balances broad exploration of a continuous hyperparameter space with increasingly accurate evaluation of promising configurations under a fixed computational budget. We further introduce Robust HyperMC, which uses global grid initialization followed by elite-guided local refinement to reduce sensitivity to random candidate generation and noisy finite-budget evaluations. Under suitable approximation and concentration conditions for the estimated KSD, we establish that the successive-halving component selects a near-optimal configuration among the sampled candidates with high probability and derive a sufficient computational budget for successful selection. Experiments on logistic regression, probabilistic matrix factorization, and Bayesian neural networks show that HyperMC improves posterior approximation or predictive calibration relative to MAMBA, grid search, and heuristic baselines, while Robust HyperMC yields more stable and reproducible tuning results.
Many statistical models involve parameter-dependent normalizing constants that are computationally intractable, creating substantial obstacles to standard Bayesian inference. Although existing likelihood-based algorithms can often circumvent these constants, their uncertainty quantification may be poorly calibrated under model misspecification. To address these challenges, we propose SME-BETEL, a semiparametric Bayesian framework that combines score matching estimating equations with Bayesian exponentially tilted empirical likelihood. The resulting posterior avoids evaluation of normalizing constants and does not require learning-rate calibration. We establish consistency and asymptotic normality of the score matching estimator, and prove a Bernstein-von Mises theorem for the SME-BETEL posterior. These results show that SME-BETEL credible sets are asymptotically calibrated to the sampling variability of the score matching estimator, yielding valid frequentist coverage under model misspecification. We further develop a new score matching criterion for mixed-domain data, extending SME-BETEL to models whose observations combine components from different sample spaces. This construction enables robust Bayesian inference for mixed-domain doubly-intractable models, including preferential sampling models with an intractable spatial normalizing integral. Simulation studies show that SME-BETEL remains competitive under correct specification and substantially improves uncertainty quantification under misspecification. An ozone-monitoring application further demonstrates the utility of the mixed-domain construction for spatial preferential modeling.
Bayesian methodologies for handling count-valued time series have gained prominence due to their ability to infer interpretable latent structures and to estimate uncertainties. Among these Bayesian models, Poisson-Gamma Dynamical Systems (PGDSs) are proven to be effective in capturing the evolving dynamics underlying observed count sequences. However, the state-of-the-art PGDS still falls short in capturing the transition dynamics that are commonly observed in real-world count time series. To mitigate this limitation, a PGDS with time-varying transition kernel (TV-PGDS), is proposed to allow the underlying transition matrices to evolve over time. Three specifically-designed Dirichlet Markov chains (Dir-Dir, Dir-Gam-Dir, PR-Gam-Dir) are constructed to accommodate heterogeneous structural mutations within these dependencies. Leveraging Dirichlet-Multinomial-Beta data augmentation techniques, a fully-conjugate and efficient Gibbs sampler is developed to perform posterior simulation. Experiments show that, in comparison with related models, the proposed PGDS achieves improved predictive performance due to its capacity to learn time-varying dependency structure captured by the time-evolving transition matrices.
For finite-dimensional linear inverse problems where the variables are Gaussian, it is well-known that the minimum-mean-square error estimator takes the form of a regularized least-squares data fit. In this chapter, we show that this equivalence extends to a much broader infinite-dimensional setting where generalized splines take the role of linear regressors and generalized Gaussian processes on a nuclear space $S$ are the counterpart of Gaussian random vectors. The scope of this extension is of the same nature as the switch from the classic notion of function to that of a distribution, also known as a "generalized function." Our formalism involves a whitening/regularization operator $L: S\to S'$ whose continuous extension induces a native Hilbert space $H\subset S'$ that plays a central role in our characterization. The presentation is self-contained for the most part and remarkably general and powerful. It allows for the recovery of all known instances of such equivalences; in particular, the methods involving innovations and reproducing-kernel Hilbert spaces developed by Kailath and his students, and the mathematical correspondence between fractional splines and Mandelbrot's fractional Brownian motion (fractals), with the former being the optimal estimators of the latter. It also covers general Bayesian methods for the resolution of infinite-dimensional inverse problems.
Asir Intesar Tushar, Ioannis Sgouraliscs.LG stat.ML
Point-cloud data routinely captured by modern imaging and sensor technologies provide detailed geometric descriptions of objects and environments, but their analysis is hindered by large data volumes, localization noise, and missing information. In addition, existing point-cloud reconstruction pipelines typically return a single best-fit structure without uncertainty quantification. We introduce a fully Bayesian framework for representing point-cloud data and reconstructing closed curves, in which observed points are modeled as noisy perturbations of latent locations constrained to lie on the underlying curve that is regularized by a non-parametric prior. Posterior inference in our framework is carried out using a series of Markov chain Monte Carlo samplers tailored to point-cloud characteristics. Numerical experiments, including synthetic examples and real-world LiDAR datasets, show accurate reconstructions and quantified uncertainty over the recovered curves.
Exact Bayes prediction enjoys fast predictive regret guarantees, but exact posterior updating or representation may be too costly for online use. We study when these statistical guarantees are preserved by computational approximations. We show that the cumulative price of posterior approximation can be governed by the interaction between the contraction radius of the exact Gibbs posterior and the Wasserstein distance between the approximate and exact posteriors. Our general theorem shows that whenever exact Bayes prediction achieves a fast regret bound, any approximate posterior method that tracks the exact posterior with sufficient accuracy inherits the same fast regret, up to an additive term determined by the approximation error. Three online learning examples are developed. For linear models with strongly convex regularized losses, a projected Langevin algorithm yields an approximate posterior that achieves logarithmic regret. For an infinite-dimensional canonical exponential family sequence model over a Sobolev ellipsoid, a prior-preserving truncation method attains the minimax predictive regret rate with sublinear memory and constant update cost per observation. For random-design Gaussian process (GP) regression, a sparse variational posterior with inducing variables achieves the same predictive regret rate as the exact GP, but at substantially lower computational cost.
Many common data dependencies can be characterized by graphs: time series data are sequential (chain graph), images appear as pixels (lattice graph), areal data are defined by neighboring units (spatial adjacency graph), etc. Graph trend filtering seeks to smooth and predict such data. However, classical trend filtering only incorporates the graph for estimation of the trend, which limits its adaptivity, and is brittle in the presence of missing data. Further, it lacks uncertainty quantification and faces certain computing challenges. We address these limitations with a comprehensive Bayesian framework for (graph-) dependent data. Our approach leverages the graph at three critical junctures: 1) the trend, to enable smoothing, imputation, and prediction; 2) the local shrinkage, to enhance adaptivity and precision; and 3) the MCMC sampling algorithm, to deliver scalable posterior (predictive) inference via sparse and banded operations. For the proposed graph-dependent shrinkage priors, we study the local concentration and adaptivity properties and establish conditions for posterior propriety. Simulation studies demonstrate that, relative to state-of-the-art frequentist and Bayesian alternatives, this framework provides more accurate point estimates, more precise interval estimates, and highly competitive computing. We apply our methods for spatio-temporal modeling and forecasting of local area unemployment data for every county in the continental U.S. during the 2020 COVID-19 unemployment shock.
Yichen Zang, Song Liu, Jiun-Yi Linstat.ML cs.LG stat.ME
Simulation-Based Inference (SBI) serves as a vital framework for parameter inference in scientific fields where simulators involve intractable likelihoods, yet while amortized generative models offer rapid posterior estimation, they are often restricted by the specific priors used during training, thereby limiting their flexibility as prior knowledge evolves. To address this prior dependency, PriorGuide was introduced as an inference-time guidance method, but due to its intractable formulation, it relies on Gaussian approximations of the reverse transition kernel and Gaussian mixture model fitting for the prior ratio, both of which introduce systematic bias. Motivated by these limitations, we propose an unbiased test-time guidance framework that leverages Density Ratio Estimation (DRE) to learn a score guidance term, effectively decoupling the inference process from the prior training. Moreover, our framework remains agnostic to the specific density ratio estimators, making it a general and flexible framework for handling prior changes. Experimental results across multiple tasks demonstrate that our method matches or outperforms PriorGuide on C2ST and MMD in most tasks while maintaining robustness even under limited overlap between the training and target priors. Furthermore, we apply our method to Bayesian updating for parameter inference from planetary light-curve data, where it also demonstrates strong effectiveness and robustness. Code is available at https://github.com/a-chenchen/dre-based-prior-guidance .
Grégoire Sergeant-Perthuis, Elias Tsigaridas, Jules Tsukaharacs.LG cs.SC math.AG stat.ML
Classical information criteria such as the Bayesian Information Criterion (BIC) rely on regularity assumptions that break down for singular models, leading to incorrect model selection in settings such as deep learning. The Widely Applicable Bayesian Information Criterion (WBIC) relies on local learning coefficients $λ$, which in the analytic case coincides with local Real Log Canonical Thresholds (RLCT) of the Kullback-Leibler divergence of the model, to capture correct marginal likelihood asymptotics. Exact computation of the learning coefficients has been limited to special cases, and only sampling-based estimation methods are generally applicable. We present the first deterministic algorithm that computes local RLCTs exactly for any two-dimensional model whose Kullback-Leibler distance is contact equivalent to a polynomial, derive a bound on its complexity, and demonstrate its effectiveness for a broad class of models, with applications including polynomial neural networks. Beyond providing ground truth to calibrate sampling-based estimators, exact computation reveals algebraic structure in learning coefficients that sampling cannot and out-speeds it in the shallow regime.
Despite the wide variety of existing Buy-`Til-You-Die (BTYD) models, nearly all rely upon the convenient assumption of transactions following a Poisson process. As modern customer bases grow larger and more diverse, a major gap in the marketing literature is BTYD models that can account for heterogeneity in timing patterns across millions of customers. This paper addresses that gap, introducing a family of models that assume transactions follow a Weibull renewal process and developing a highly scalable scheme for parameter estimation based on an amortized variational inference procedure. The proposed model fits to a proprietary dataset of 5 million online retail customers in 8 minutes which would take the current state-of-the-art an estimated 3-4 days. We show both theoretically and empirically that this dramatic improvement in computational performance comes with no appreciable change to either model interpretation or predictive performance. Beyond scalability, gradient-based variational inference also makes it easy to extend the model to covariates, which we illustrate on a public dataset of 4 million political donors during the 2020 US General election cycle. More generally, this paper demonstrates how to blend recent advances in approximate Bayesian inference and the tools of modern machine learning to dramatically improve the efficiency and expressivity of probabilistic models for customer base analysis.
This short work describes an extension of the permanental process model which includes fixed effects. By starting with a prior on the fixed effects coefficients we show that, in the diffuse prior limit, the intensity function of the permanental process can be found using the representer theorem and naturally decomposed into a fixed effects term and a function which is an element of a Reproducing Kernel Hilbert Space (RKHS). We show that the limiting equivalent kernel defines an RKHS whose squared norm is exactly the limiting penalty. This allows for straightforward scientific interpretation of permanental process models and the easy incorporation of domain knowledge into the estimation process.
Harini Venkatesan, Christian Shelton, Ming-Feng Ho +2cs.AI
Markov chain Monte Carlo (MCMC) requires only the ability to evaluate the likelihood, making it a common technique for inference in complex models. However, it can have a slow mixing rate, requiring the generation of many samples to obtain good estimates and an overall high computational cost. FLARE MCMC is a multi-fidelity layered MCMC method that exploits lower-fidelity approximations of the true likelihood calculation to improve mixing and leads to overall faster performance. Such lower-fidelity likelihoods are commonly available in scientific and engineering applications where the model involves a simulation whose resolution or accuracy can be tuned. Our technique uses recursive, layered chains with simple layer tuning; it does not require the likelihood to take any form or have any particular internal mathematical structure. We demonstrate experimentally that FLARE MCMC achieves larger effective sample sizes for the same computational time across different scientific domains including hydrology and cosmology.
Cixuan Zhang, Guy Van den Broeck, Benjie Wangcs.LG cs.AI stat.ML
Causal discovery aims to uncover the underlying causal relationships given data generated from a system. The goal, however, is not merely to predict causal edges given data, but also to be able to interpret and explain either observed or hypothesized phenomena, such as a particularly large causal effect. We consider this task of conditional causal discovery and cast it as a Bayesian inference problem, in which we target the posterior over causal graphs and parameters conditional on an event such as a causal-effect constraint. Unfortunately, this poses a computational challenge: existing approaches to Bayesian causal discovery struggle when the event has small posterior mass. To address this, we adapt rare-event estimation techniques to perform inference the joint graph-parameter space. Our method gradually drives a particle population toward the constrained region while maintaining samples that approximate the conditional posterior. Empirical evaluation on synthetic graphs validates the accuracy of our approach at small and large scales, and we show in a case study on the Sachs protein dataset how our method can be used to aid scientific exploration by providing pathway-level summaries.
We study posterior contraction in positive-order Sobolev norms and Bayesian derivative estimation for infinite-dimensional exponential families. We embed the natural parameter in a Hilbert scale and model it via a standard Gaussian series prior expanded in the eigenbasis generating the scale. Under a two-sided link condition on the Fisher information and suitable local regularity assumptions, we show that smoothness-matching priors achieve minimax-optimal posterior contraction rates in any Hilbert scale norm up to the regularity of the ground truth. Our analysis builds on the novel approach to posterior contraction based on the Wasserstein distance recently introduced by Dolera et al. (2024). It combines refined Laplace-type estimates for infinite-dimensional integrals associated to the posterior kernels with a mixed-geometry estimate controlling their stability under fluctuations in the data, itself resting on a tailored Poincaré inequality for posterior distributions conditioned on neighbourhoods of the truth. We apply the general theory to density estimation with a logistic parametrisation, Poisson intensity estimation with an exponential link, and the Gaussian white-noise model, yielding minimax contraction rates in Sobolev norms across all three settings. In particular, these yield optimal recovery of density score functions and derivatives of Poisson intensities.
Oussama Boussif, Mohammed Mahfoud, Younesse Kaddar +6cs.LG
Symbolic regression is the problem of finding an algebraic expression describing a stochastic dependence of a target variable on a set of inputs. Unlike forms of regression that fit parameters assuming a fixed model structure, symbolic regression is a search problem over the space of expressions, represented, for example, as abstract syntax trees using a library of operators. Symbolic regression is typically used in settings with limited, noisy data in the natural sciences. However, searching for a single best-fitting expression fails to capture the epistemic uncertainty about the expression, which motivates a Bayesian perspective that enables uncertainty quantification and specification of natural priors to constrain the search space. In this work, we propose ERRLESS (Entropy-Regularized Reinforcement Learning for Expression Structure Sampling), a scalable approach for sampling from the posterior distribution over expressions given data using maximum-entropy reinforcement learning. ERRLESS learns a neural policy that constructs expressions sequentially by building up their abstract syntax trees. At convergence, the policy samples expressions from the posterior. At test time, expressions can be sampled by rollouts of this policy. We demonstrate that ERRLESS achieves competitive results on the Feynman benchmark while producing short and interpretable expressions. Additionally, we demonstrate that the mean of the posterior predictive approximated by ERRLESS achieves a high coefficient of determination ($R^2$) compared to an SMC baseline, highlighting the benefits of the Bayesian perspective in symbolic regression.
Maria-Nicoleta Crăciun, C. -H. Luke Ong, Tom Schrijvers +1stat.ML cs.LG cs.PL stat.CO
Hamiltonian Monte Carlo (HMC) is a successful generic inference method in probabilistic programming, but in its ordinary formulation it needs gradients and finite-dimensional parameter spaces. In Haskell, lazy evaluation lets probabilistic programs express stochastic processes and other non-parametric Bayesian models over implicit infinite-dimensional spaces. This paper develops new formulations of gradient-based HMC for this infinite-dimensional setting, via lazy evaluation. For automatic differentiation, we provide an analysis based on a new notion of "piecewise analytic under cylindrical analytic partition" (PACAP), to show that even if a program is infinite-dimensional and defined lazily, the gradient of the likelihood function is finitely supported. For the Monte Carlo method itself, we develop several HMC variants and a No-U-Turn Sampler that operate over the infinite-dimensional parameter space but are still productive because of lazy evaluation. Experiments cover Gaussian mixture clustering, random walks, and piecewise-constant regression with Poisson-process changepoints.
We discuss Bayesian inference on a low-dimensional targeted parameter in the presence of possibly highly complex nuisance components within the semi-parametric inference framework using an estimating function approach. We obtain a posterior distribution using non-parametric Bayesian methods through the Dirichlet process and the Bayesian bootstrap. We relax the commonly deployed notion of stochastic equicontinuity and develop a framework leading to posterior inference with good frequentist properties, specifically we demonstrate that the posterior distribution is asymptotically Normal and concentrates at the true value of the parameter. We emphasize the specific assumptions that are required to obtain these results, and how relaxing any of them alters the conclusions. We verify the analytical results in simulation.
Christian Klötergens, Vijaya Krishna Yalavarthi, Lars Schmidt-Thieme +1cs.LG
Tabular Foundation Models (TFMs) are currently the best approach to tabular prediction problems. They are constructed as transformers that approximate the Bayesian posterior predictive distribution based on a pre-training prior. These univariate predictors can be converted into multivariate ones autoregressively by sampling one target and adding it to the features. However, the faithfulness of the resulting joint has not been investigated. Furthermore, TFMs cannot be evaluated against the posterior itself, at least not on real-world datasets, because the ground-truth distribution is unknown. We therefore propose asking a different question: could a model's predictions result from any joint distribution? To answer this question, we pose two requirements that any such model must satisfy. The first is marginalization consistency, which demands that marginalized conditionals are equal to directly predicted marginals. The second is factorization consistency, which demands that different factorization orders result in equal joint distributions. Every TFM that we evaluate violates both of these requirements for both classification and regression across all datasets.
Yucheng Yang, Tao Zhaecon.EM math.ST stat.AP stat.ML
Every SVAR result is conditional on two choices: the restrictions that identify the shock and the variables on which they operate. The literature disciplines the first; the second is chosen by hand. We develop a Bayesian methodology that constructs information sets, uses an out-of-sample criterion, and retains the largest system it admits. Under recursive identification, output rises with housing production rather than household credit alone. For monetary policy, an anchor-free joint Bayesian proxy SVAR with multiple instruments strengthens the credit spread channel. A core system augmented with the selected corporate spread identifies expected default risk as a potent transmission margin.
Bayesian causal discovery seeks to determine the posterior distribution of causal theories, which are interpreted as directed acyclic graphs (DAGs) that explain the observed data. The resulting posterior allows systematic reasoning regarding epistemic uncertainty within these theories. Nonetheless, finding such graphs is difficult due to identifiability problems and limited observational data. Furthermore, precisely approximating posterior over graphs is challenging given vast range of potential DAGs. Recent Bayesian approaches have addressed some of these challenges, yet they remain limited as they fail to encode dependencies between edges, and lack principled ways to incorporate domain knowledge as inductive biases during the search process. To overcome these limitations, we propose SVI-DAG, a structured variational inference approach to Bayesian causal discovery using observational data and prior beliefs that uses normalizing flows to model dependencies between edges, supporting expressive and multimodal posterior learning over DAGs. To mitigate mode seeking behaviour in evidence lower bound optimization and promote mode coverage, we use stein variational gradient descent to update the node potentials using a kernel in acyclicity space. We evaluate SVI-DAG against 5 state-of-the-art Bayesian DAG learning methods and demonstrate superior performance in uncertainty quantification while remaining competitive in terms of structural accuracy.
Yufei Wu, Shanqing Gao, Andreas Voss +1stat.ML cs.LG stat.AP stat.ME
The drift diffusion model (DDM) is a cornerstone of cognitive decision-making research. Although numerous estimation methods exist, researchers continue to seek inference approaches that are both fast and flexible across diverse study designs. Amortized Bayesian inference (ABI) can provide nearly instantaneous inference for complex stochastic models like the DDM, but neural networks trained for one study design cannot generalize to others. In this paper, we propose a divide-and-conquer framework that address this limitation. The core idea is that the DDM's independence assumption allows the full dataset to be decomposed into pairwise shards, each sharing a common structure that a single neural network can learn. Inference is performed on each shard separately and the resulting posteriors are combined via consensus MCMC to approximate the full posterior. Using simulated datasets, we evaluate the accuracy and uncertainty of this method. Our results show that the proposed divide-and-conquer approach achieves accuracy and uncertainty comparable to MCMC while reducing computational cost by several orders of magnitude. This work not only advances DDM estimation but also demonstrates a general strategy for improving the scalability and generalizability of ABI methods across diverse applications.
Tyler M. Schmidt, Nathan B. Wiklestat.ME math.ST stat.ML
Causal inference increasingly extends beyond classical causal effects defined by deterministic treatment assignments, such as the average treatment effect, to stochastic intervention effects that can weaken positivity requirements and offer greater policy relevance. Nonparametric Bayesian models are attractive for estimating these effects due to their flexibility and inherent uncertainty propagation, but this posterior uncertainty need not be well calibrated for the causal effect of interest. We develop a simple post-processing correction that can be applied to posterior samples without changing the prior or fitting algorithm. We prove that, for a broad class of stochastic interventions, the corrected posterior yields asymptotically efficient inference and credible intervals with asymptotically valid frequentist coverage; formally, it satisfies a semiparametric Bernstein-von Mises theorem. The theory covers interventions specified independently of the observed treatment process, as well as interventions that modify it, including incremental propensity score interventions and a new power-tilt intervention. A central contribution is new theory for SoftBART, including conditions under which this flexible tree-based Bayesian model supports calibrated Bayesian inference for stochastic intervention effects. In simulations, the correction reduces bias and improves coverage relative to the uncorrected Bayesian analysis while remaining competitive with frequentist alternatives. We illustrate the method by estimating how expected LDL cholesterol would change under hypothetical increases or decreases in the odds of receiving statin therapy.
With AI systems gaining more access to individuals' information, it is important to protect privacy when reporting statistical answers. Equally important is to privatize the reporting of uncertainty in such answers. To this end, we adopt a Bayesian likelihood-free framework and make simulation from the posterior private. In particular, we propose a new private instantiation of the Bayesian bootstrap using a blocking strategy. Rather than assigning idiosyncratic random weights to each individual, we randomly group individuals and assign a single weight to each group. By concealing individuals' contributions within a group, we fortify differential privacy gates. We harness amortized inference that decouples private learning from posterior sampling. A push-forward map from observation weights to posterior samples is learned privately by adding calibrated noise during training. Subsequent posterior draws require no additional privacy and computation budget. We call the resulting method the Private Generative Bayesian Bootstrap (PGBB). We establish a differential privacy guarantee, analyze convergence to the non-private blocked-bootstrap target, and quantify the discrepancy between the ordinary and blocked Bayesian-bootstrap posteriors. In addition, we derive data-free tuning of the block Dirichlet concentration parameter that restores posterior dispersion asymptotically. We also show a single fit of PGBB can support a family of loss-based decision rules simultaneously without additional privacy cost. In simulations and in applications to U.S. Census returns to schooling and U.S. natality birthweight quantiles, PGBB gives competitive private uncertainty quantification and improves over private Bayesian alternatives that require a specified data-generating model in common settings.
Solomonoff Induction, or SolInd, provides an ideal unbounded model of a priori sequence prediction but cannot naturally describe extrapolation from a given training dataset, as performed by Large Language Models. We apply de Finetti's theorem on exchangeable distributions to SolInd to produce what we call Hierarchical Solomonoff Induction, or HSI, which maintains a hyperprior over all Solomonoff priors that can be conditioned on previously observed sequences. We extend Wood et al.'s proof that universal mixtures of semimeasures are equivalent to SolInd to show that universal mixtures of these mixtures are also equivalent, proving that HSI=SolInd. We also prove that HSI's excess error on any distribution, compared to its true generator, is bounded by that generator's complexity in the hyperprior. This result is directly comparable to SolInd's prediction error being bounded by the Kolmogorov complexity of the sequence being predicted, and forces HSI's average excess error to converge to 0 as a dataset grows, leading to optimal prediction in the limit. We claim that HSI is an ideal unbounded model of sequence prediction given a dataset in the same way that SolInd is ideal over individual sequences.
Predictive coding offers a powerful theory of cortical computation, but corresponding scalable algorithmic implementations for artificial intelligence have remained elusive. This paper introduces the Bayesian reflex, a computational framework that directly instantiates predictive coding through three pillars: belief maintenance via hierarchical generative models, sequential Bayesian updating via prediction-error minimization, and uncertainty-driven action via active inference. We show that recent breakthroughs---ellipsoidal decomposition for exact $i.i.d.$ sampling, recursive Gaussian processes for deep hierarchical inference, and derivative-aware Bayesian optimization---provide the missing algorithmic ingredients. The resulting framework enables mathematically principled, scalable, and brain-inspired continual learning, perception, and decision-making. We illustrate its versatility through applications ranging from climate model evaluation to prime number discovery, offering a blueprint for truly adaptive artificial intelligence.
Mohammad Sadeq Abolhasani, Viswanath Ganapathycs.LG cs.DB
Relational Prior-Data Fitted Networks (PFNs) such as RDB-PFN approximate Bayesian inference over multi-table relational databases by pretraining on millions of synthetic tasks. We investigate three intertwined questions about this paradigm. First, can a structurally different synthetic generator PluRel substitute for RDB-PFN's prior? Second, how much does the order in which synthetic data is presented to the PFN affect downstream performance? Third, how much relational reasoning can a PFN acquire from single-table synthetic pretraining alone, before any relational data is introduced? Using PluRel as the sole synthetic data source across all experiments, we find: (i) a progressive single-table curriculum that gradually widens schema complexity from 7 to 17 columns reaches 0.703 average ROC-AUC on the 23-task tabular benchmark using only approximately 13,300 synthetic tables (approximately 45x fewer single-table datasets than RDB-PFN's reported warm-up recipe), while the same data trained all-at-once collapses to 0.541 ROC-AUC; (ii) a relational curriculum trained from scratch on only approximately 5,500 PluRel databases reaches 0.638 average ROC-AUC on the 19-task RelBench/4DBInfer benchmark, recovering 88% of RDB-PFN's reported performance with approximately 220x less relational synthetic data; and (iii) the single-table curriculum model, evaluated directly on the relational benchmark without any relational adaptation, achieves 0.631, nearly matching the dedicated relational pipeline. Together, these findings suggest that curriculum design and synthetic data diversity may matter more for relational PFN pretraining than the specific relational generator or raw synthetic scale alone.
Manisha Dubey, Rimvydas Rubavicius, N. Siddharth +1cs.AI stat.ML
Computational cognitive modeling seeks to infer latent cognitive mechanisms underlying observed behavior. Bayesian inverse planning provides a principled framework for such inference, but its success depends critically on the experimental environment. Existing approaches typically treat environments as fixed, leaving open the question of which cognitive experiments are most informative for cognition parameter inference. We formulate the design of cognitive planning experiments as a Bayesian Experimental Design (BED) problem, treating the experimental environment as the design variable. We establish an exact Monte Carlo BED benchmark and introduce an amortized Bayesian experimental design framework for efficient posterior inference and design evaluation. Experiments on the Mouselab-MDP process-tracing paradigm show that amortized BED closely matches the environment rankings of exact Monte Carlo BED while substantially reducing computational cost. We further show that no single environment is uniformly optimal across cognitive inference objectives, revealing trade-offs between expected information gain, posterior recoverability, and information efficiency. These results provide a principled framework for designing informative cognitive experiments for Bayesian parameter inference.
Pei-Hsuan Hsia, Lars H. Heyen, Arvid Weyrauch +4cs.LG cs.AI
In Bayesian neural networks (BNNs), variational inference is a widely adopted framework for modeling uncertainty in a distributional way, with the evidence lower bound (ELBO) serving as the standard objective function. Several distributions contribute to the ELBO loss, such as the prior, approximated posterior, and likelihood distribution. Typically, these distributions are all approximated by a Gaussian distribution, since it is easy to compute, allows for reparameterized gradients, and provides a closed-form loss for training. However, several works have highlighted that this assumption may not generally hold, posing the risk of model misspecification. Alternative distributions have been proposed for the prior specifically, while the effect of distribution choice on the likelihood distribution remains unexplored. In this work, our aim is to close this gap by investigating whether alternative assumptions for the likelihood distribution can outperform the commonly used Gaussian. We compare several likelihood distribution assumptions, such as skewed or heavy-tailed, across regression tasks on both artificial and real-world datasets using standard multilayer perceptrons (MLPs). Our findings demonstrate that Student's t yields better predictive performance than a Gaussian likelihood distribution, independent of the data distribution and MLP architecture (depth and width). In some cases, Student's t can also lead to shorter training times, while still being easy to implement.
Moritz Schlager, Emanuel Sommer, Thomas Möllenhoff +1cs.LG
Sampling-based methods offer a principled approach to uncertainty quantification in Bayesian neural networks. Their practical use, however, is often challenged by the computational cost of exploring high-dimensional and multimodal posterior distributions. To overcome these difficulties, Bayesian Deep Ensembles, i.e., warmstarting the sampling from several optimized solutions, have proven to be an effective strategy. In this paper, we demonstrate that curvature estimates computed during the warmstart as a byproduct in adaptive optimizers such as AdamW can inform the sampling phase at negligible additional cost. Specifically, our proposed preconditioned sampling strategy based on optimizer-derived geometries can substantially reduce or even eliminate the need for a lengthy sampling burn-in phase and leads to greater numerical stability. This approach consistently maintains or improves predictive performance and uncertainty quantification without any additional computational costs. We confirm the consistency of our findings across various datasets and network architectures.
Juan Francisco, Mandujano Reyesstat.AP cs.AI cs.LG
Item Response Theory (IRT) has recently been proposed as a framework for evaluating large language model (LLM) benchmarks by separating a model's latent ability from the properties of individual benchmark items. Existing neural IRT approaches, including PSN-IRT, estimate these quantities using point estimates, limiting uncertainty quantification and downstream statistical inference. We introduce Laplace-PSN-IRT, a post-hoc last-layer Laplace approximation that augments a trained PSN-IRT model with approximate Bayesian posterior inference, recovering calibrated uncertainty over model ability and item difficulty without retraining. The resulting posterior enables credible intervals, probabilistic comparisons between models, and propagation of parameter uncertainty into Fisher-information-based item selection. We show that most pairwise comparisons among 12 models on a standard LLM benchmark leaderboard are not statistically distinguishable despite differing point-estimate ranks. We further show that point-estimate Fisher information can become nearly zero for many benchmark items because it is evaluated at a single reference ability, whereas posterior-expected Fisher information remains substantially more stable across the ability range. Finally, posterior-expected Fisher information more accurately recovers full-benchmark ability rankings from small benchmark subsets in most experimental settings while matching point-estimate performance for the smallest subsets. We validate the calibration of the approximate posterior using held-out predictive coverage and find that modeling item difficulty as random while treating item discrimination as fixed produces well-calibrated uncertainty in this architecture.