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 Bayesian Inference


Generative Bayesian Filtering and Parameter Learning

arXiv.org Machine Learning

Generative Bayesian Filtering (GBF) provides a powerful and flexible framework for performing posterior inference in complex nonlinear and non-Gaussian state-space models. Our approach extends Generative Bayesian Computation (GBC) to dynamic settings, enabling recursive posterior inference using simulation-based methods powered by deep neural networks. GBF does not require explicit density evaluations, making it particularly effective when observation or transition distributions are analytically intractable. To address parameter learning, we introduce the Generative-Gibbs sampler, which bypasses explicit density evaluation by iteratively sampling each variable from its implicit full conditional distribution. Such technique is broadly applicable and enables inference in hierarchical Bayesian models with intractable densities, including state-space models. We assess the performance of the proposed methodologies through both simulated and empirical studies, including the estimation of $α$-stable stochastic volatility models. Our findings indicate that GBF significantly outperforms existing likelihood-free approaches in accuracy and robustness when dealing with intractable state-space models.


Online Bayesian Experimental Design for Partially Observed Dynamical Systems

arXiv.org Machine Learning

Bayesian experimental design (BED) provides a principled framework for optimizing data collection, but existing approaches do not apply to crucial real-world settings such as dynamical systems with partial observability, where only noisy and incomplete observations are available. These systems are naturally modeled as state-space models (SSMs), where latent states mediate the link between parameters and data, making the likelihood -- and thus information-theoretic objectives like the expected information gain (EIG) -- intractable. In addition, the dynamical nature of the system requires online algorithms that update posterior distributions and select designs sequentially in a computationally efficient manner. We address these challenges by deriving new estimators of the EIG and its gradient that explicitly marginalize latent states, enabling scalable stochastic optimization in nonlinear SSMs. Our approach leverages nested particle filters (NPFs) for efficient online inference with convergence guarantees. Applications to realistic models, such as the susceptible-infected-recovered (SIR) and a moving source location task, show that our framework successfully handles both partial observability and online computation.


Power Constrained Nonstationary Bandits with Habituation and Recovery Dynamics

arXiv.org Machine Learning

A common challenge for decision makers is selecting actions whose rewards are unknown and evolve over time based on prior policies. For instance, repeated use may reduce an action's effectiveness (habituation), while inactivity may restore it (recovery). These nonstationarities are captured by the Reducing or Gaining Unknown Efficacy (ROGUE) bandit framework, which models real-world settings such as behavioral health interventions. While existing algorithms can compute sublinear regret policies to optimize these settings, they may not provide sufficient exploration due to overemphasis on exploitation, limiting the ability to estimate population-level effects. This is a challenge of particular interest in micro-randomized trials (MRTs) that aid researchers in developing just-in-time adaptive interventions that have population-level effects while still providing personalized recommendations to individuals. In this paper, we first develop ROGUE-TS, a Thompson Sampling algorithm tailored to the ROGUE framework, and provide theoretical guarantees of sublinear regret. We then introduce a probability clipping procedure to balance personalization and population-level learning, with quantified trade-off that balances regret and minimum exploration probability. Validation on two MRT datasets concerning physical activity promotion and bipolar disorder treatment shows that our methods both achieve lower regret than existing approaches and maintain high statistical power through the clipping procedure without significantly increasing regret. This enables reliable detection of treatment effects while accounting for individual behavioral dynamics. For researchers designing MRTs, our framework offers practical guidance on balancing personalization with statistical validity.


CLAX: Fast and Flexible Neural Click Models in JAX

arXiv.org Artificial Intelligence

CLAX is a JAX-based library that implements classic click models using modern gradient-based optimization. While neural click models have emerged over the past decade, complex click models based on probabilistic graphical models (PGMs) have not systematically adopted gradient-based optimization, preventing practitioners from leveraging modern deep learning frameworks while preserving the interpretability of classic models. CLAX addresses this gap by replacing EM-based optimization with direct gradient-based optimization in a numerically stable manner. The framework's modular design enables the integration of any component, from embeddings and deep networks to custom modules, into classic click models for end-to-end optimization. We demonstrate CLAX's efficiency by running experiments on the full Baidu-ULTR dataset comprising over a billion user sessions in $\approx$ 2 hours on a single GPU, orders of magnitude faster than traditional EM approaches. CLAX implements ten classic click models, serving both industry practitioners seeking to understand user behavior and improve ranking performance at scale and researchers developing new click models. CLAX is available at: https://github.com/philipphager/clax


Leveraging Discrete Function Decomposability for Scientific Design

arXiv.org Artificial Intelligence

In the era of AI-driven science and engineering, we often want to design discrete objects in silico according to user-specified properties. For example, we may wish to design a protein to bind its target, arrange components within a circuit to minimize latency, or find materials with certain properties. Given a property predictive model, in silico design typically involves training a generative model over the design space (e.g., protein sequence space) to concentrate on designs with the desired properties. Distributional optimization -- which can be formalized as an estimation of distribution algorithm or as reinforcement learning policy optimization -- finds the generative model that maximizes an objective function in expectation. Optimizing a distribution over discrete-valued designs is in general challenging because of the combinatorial nature of the design space. However, many property predictors in scientific applications are decomposable in the sense that they can be factorized over design variables in a way that could in principle enable more effective optimization. For example, amino acids at a catalytic site of a protein may only loosely interact with amino acids of the rest of the protein to achieve maximal catalytic activity. Current distributional optimization algorithms are unable to make use of such decomposability structure. Herein, we propose and demonstrate use of a new distributional optimization algorithm, Decomposition-Aware Distributional Optimization (DADO), that can leverage any decomposability defined by a junction tree on the design variables, to make optimization more efficient. At its core, DADO employs a soft-factorized "search distribution" -- a learned generative model -- for efficient navigation of the search space, invoking graph message-passing to coordinate optimization across linked factors.


Addressing prior dependence in hierarchical Bayesian modeling for PTA data analysis I: Methodology and implementation

arXiv.org Machine Learning

Complex inference tasks, such as those encountered in Pulsar Timing Array (PTA) data analysis, rely on Bayesian frameworks. The high-dimensional parameter space and the strong interdependencies among astrophysical, pulsar noise, and nuisance parameters introduce significant challenges for efficient learning and robust inference. These challenges are emblematic of broader issues in decision science, where model over-parameterization and prior sensitivity can compromise both computational tractability and the reliability of the results. We address these issues in the framework of hierarchical Bayesian modeling by introducing a reparameterization strategy. Our approach employs Normalizing Flows (NFs) to decorrelate the parameters governing hierarchical priors from those of astrophysical interest. The use of NF-based mappings provides both the flexibility to realize the reparametrization and the tractability to preserve proper probability densities. We further adopt i-nessai, a flow-guided nested sampler, to accelerate exploration of complex posteriors. This unified use of NFs improves statistical robustness and computational efficiency, providing a principled methodology for addressing hierarchical Bayesian inference in PTA analysis.


Beyond Maximum Likelihood: Variational Inequality Estimation for Generalized Linear Models

arXiv.org Machine Learning

Generalized linear models (GLMs) are fundamental tools for statistical modeling, with maximum likelihood estimation (MLE) serving as the classical method for parameter inference. While MLE performs well in canonical GLMs, it can become computationally inefficient near the true parameter value. In more general settings with non-canonical or fully general link functions, the resulting optimization landscape is often non-convex, non-smooth, and numerically unstable. To address these challenges, we investigate an alternative estimator based on solving the variational inequality (VI) formulation of the GLM likelihood equations, originally proposed by Juditsky and Nemirovski as an alternative for solving nonlinear least-squares problems. Unlike their focus on algorithmic convergence in monotone settings, we analyze the VI approach from a statistical perspective, comparing it systematically with the MLE. We also extend the theory of VI estimators to a broader class of link functions, including non-monotone cases satisfying a strong Minty condition, and show that it admits weaker smoothness requirements than MLE, enabling faster, more stable, and less locally trapped optimization. Theoretically, we establish both non-asymptotic estimation error bounds and asymptotic normality for the VI estimator, and further provide convergence guarantees for fixed-point and stochastic approximation algorithms. Numerical experiments show that the VI framework preserves the statistical efficiency of MLE while substantially extending its applicability to more challenging GLM settings.


Using latent representations to link disjoint longitudinal data for mixed-effects regression

arXiv.org Machine Learning

Many rare diseases offer limited established treatment options, leading patients to switch therapies when new medications emerge. To analyze the impact of such treatment switches within the low sample size limitations of rare disease trials, it is important to use all available data sources. This, however, is complicated when usage of measurement instruments change during the observation period, for example when instruments are adapted to specific age ranges. The resulting disjoint longitudinal data trajectories, complicate the application of traditional modeling approaches like mixed-effects regression. We tackle this by mapping observations of each instrument to a aligned low-dimensional temporal trajectory, enabling longitudinal modeling across instruments. Specifically, we employ a set of variational autoencoder architectures to embed item values into a shared latent space for each time point. Temporal disease dynamics and treatment switch effects are then captured through a mixed-effects regression model applied to latent representations. To enable statistical inference, we present a novel statistical testing approach that accounts for the joint parameter estimation of mixed-effects regression and variational autoencoders. The methodology is applied to quantify the impact of treatment switches for patients with spinal muscular atrophy. Here, our approach aligns motor performance items from different measurement instruments for mixed-effects regression and maps estimated effects back to the observed item level to quantify the treatment switch effect. Our approach allows for model selection as well as for assessing effects of treatment switching. The results highlight the potential of modeling in joint latent representations for addressing small data challenges.


A Kullback-Leibler divergence method for input-system-state identification

arXiv.org Artificial Intelligence

The capability of a novel Kullback-Leibler divergence method is examined herein within the Kalman filter framework to select the input-parameter-state estimation execution with the most plausible results. This identification suffers from the uncertainty related to obtaining different results from different initial parameter set guesses, and the examined approach uses the information gained from the data in going from the prior to the posterior distribution to address the issue. Firstly, the Kalman filter is performed for a number of different initial parameter sets providing the system input-parameter-state estimation. Secondly, the resulting posterior distributions are compared simultaneously to the initial prior distributions using the Kullback-Leibler divergence. Finally, the identification with the least Kullback-Leibler divergence is selected as the one with the most plausible results. Importantly, the method is shown to select the better performed identification in linear, nonlinear, and limited information applications, providing a powerful tool for system monitoring.


The Price equation reveals a universal force-metric-bias law of algorithmic learning and natural selection

arXiv.org Artificial Intelligence

Diverse learning algorithms, optimization methods, and natural selection share a common mathematical structure, despite their apparent differences. Here I show that a simple notational partitioning of change by the Price equation reveals a universal force-metric-bias (FMB) law: $Δ\mathbfθ = \mathbf{M}\,\mathbf{f} + \mathbf{b} + \mathbfξ$. The force $\mathbf{f}$ drives improvement in parameters, $Δ\mathbfθ$, in proportion to the slope of performance with respect to the parameters. The metric $\mathbf{M}$ rescales movement by inverse curvature. The bias $\mathbf{b}$ adds momentum or changes in the frame of reference. The noise $\mathbfξ$ enables exploration. This framework unifies natural selection, Bayesian updating, Newton's method, stochastic gradient descent, stochastic Langevin dynamics, Adam optimization, and most other algorithms as special cases of the same underlying process. The Price equation also reveals why Fisher information, Kullback-Leibler divergence, and d'Alembert's principle arise naturally in learning dynamics. By exposing this common structure, the FMB law provides a principled foundation for understanding, comparing, and designing learning algorithms across disciplines.