cs.LGMar 1, 2026

Probabilistic Learning and Generation in Deep Sequence Models

Authors: Wenlong Chen

Organizations: Imperial College London Department of Computing

Abstract

Despite exceptional predictive performance of Deep sequence models (DSMs), the main concern of their deployment centers around the lack of uncertainty awareness. In contrast, probabilistic models quantify the uncertainty associated with unobserved variables with rules of probability. Notably, Bayesian methods leverage Bayes' rule to express our belief of unobserved variables in a principled way. Since exact Bayesian inference is computationally infeasible at scale, approximate inference is required in practice. Two major bottlenecks of Bayesian methods, especially when applied in deep neural networks, are prior specification and approximation quality. In Chapter 3 & 4, we investigate how the architectures of DSMs themselves can be informative for the design of priors or approximations in probabilistic models. We first develop an approximate Bayesian inference method tailored to the Transformer based on the similarity between attention and sparse Gaussian process. Next, we exploit the long-range memory preservation capability of HiPPOs (High-order Polynomial Projection Operators) to construct an interdomain inducing point for Gaussian process, which successfully memorizes the history in online learning. In addition to the progress of DSMs in predictive tasks, sequential generative models consisting of a sequence of latent variables are popularized in the domain of deep generative models. Inspired by the explicit self-supervised signals for these latent variables in diffusion models, in Chapter 5, we explore the possibility of improving other generative models with self-supervision for their sequential latent states, and investigate desired probabilistic structures over them. Overall, this thesis leverages inductive biases in DSMs to design probabilistic inference or structure, which bridges the gap between DSMs and probabilistic models, leading to mutually reinforced improvement.

Figures & tables

Appendix figures & tables21 assets

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

May 1, 2026

Possibilistic Predictive Uncertainty for Deep Learning

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling. Existing methods for uncertainty modeling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous connections between their specific objectives and epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework grounded in possibility theory. We define a possibilistic posterior over parameters, project it to the prediction space via supremum operators, and approximate the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Despite its simplicity, extensive experiments across diverse benchmarks show that DAPPr achieves competitive or superior uncertainty quantification performance over state-of-the-art second-order predictors while maintaining both principled derivation and computational efficiency. Code is available at https://github.com/MaxwellYaoNi/DAPPr.
Jun 11, 2026

Uncertainty Estimation and Generalization Bounds for Modern Deep Learning

This thesis investigates how Bayesian principles can deepen our understanding of modern deep learning systems. While neural networks achieve remarkable predictive performance, their ability to generalize and to quantify uncertainty remains only partly understood. This thesis approaches this challenge from both methodological and theoretical angles: unifying Bayesian inference, function-space modeling, and large-deviation theory under a common probabilistic perspective. On the methodological side, the thesis introduces the Deep Variational Implicit Process (DVIP), a scalable Bayesian framework that extends implicit processes to deep architectures. Complementing this, two post-hoc methods -- the Variational Linearized Laplace Approximation (VaLLA) and the Fixed-Mean Gaussian Process (FMGP) -- are proposed to equip pretrained deterministic networks with calibrated uncertainty estimates. The theoretical contributions focus on one of the central open questions in modern machine learning: why do large, over-parameterized neural networks generalize so well? To address this, the thesis develops a unified probabilistic framework that connects three key mechanisms -- diversity, smoothness, and stochasticity -- within the language of PAC-Bayesian and large-deviation theory.
May 26, 2026

Transformers Can Learn Posterior Predictive Distributions In-Context

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance and ability to go beyond point predictions, theoretical understandings of the algorithmic capability of transformers to learn distributions in context are still lacking. Focusing on Gaussian process regression problems, we show by construction that transformers can implement a gradient descent algorithm targeting the posterior predictive mean and variance, followed by nonlinear mappings that yield binned probabilities of PPD. We study the error bounds of the approximated PPD in terms of attention depth and bin resolution. Based on these results, we further demonstrate the key role of normalization and the choice of attention depth in enabling the extrapolation abilities of transformers beyond the pretraining sample size range. We conduct simulations that corroborate our findings, providing insight into the expressivity of PFNs targeting PPDs and how architectural choices may influence generalization capabilities.