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 Bayesian Learning


Bayesian Deep Learning for Discrete Choice

arXiv.org Machine Learning

Discrete choice models (DCMs) are used to analyze individual decision-making in contexts such as transportation choices, political elections, and consumer preferences. DCMs play a central role in applied econometrics by enabling inference on key economic variables, such as marginal rates of substitution, rather than focusing solely on predicting choices on new unlabeled data. However, while traditional DCMs offer high interpretability and support for point and interval estimation of economic quantities, these models often underperform in predictive tasks compared to deep learning (DL) models. Despite their predictive advantages, DL models remain largely underutilized in discrete choice due to concerns about their lack of interpretability, unstable parameter estimates, and the absence of established methods for uncertainty quantification. Here, we introduce a deep learning model architecture specifically designed to integrate with approximate Bayesian inference methods, such as Stochastic Gradient Langevin Dynamics (SGLD). Our proposed model collapses to be-haviorally informed hypotheses when data is limited, mitigating overfitting and instability in underspecified settings while retaining the flexibility to capture complex nonlinear relationships when sufficient data is available. We demonstrate our approach using SGLD through a Monte Carlo simulation study, evaluating both predictive metrics--such as out-of-sample balanced accuracy--and inferential metrics--such as empirical coverage for marginal rates of substitution interval estimates. Additionally, we present results from two empirical case studies: one using revealed mode choice data in NYC, and the other based on the widely used Swiss train choice stated preference data. Introduction Discrete choice is a fundamental area of econometrics that examines how individuals make decisions among a finite set of alternatives. For example, in transportation systems, discrete choice models are often used to estimate individuals' willingness to pay for a reduction in travel time, considering factors such as cost, trip duration, level of service, and other attributes of competing transportation modes. Given that inference is fundamental in the discrete choice field, researchers often rely on transparent and interpretable statistical binary or multinomial classification models such as logistic and probit regressions, along with their more complex variations. Traditional discrete choice models (DCMs) allow for point and interval estimation of key economic quantities, including marginal rates of substitution and odds ratios.


Are Large Language Models Reliable AI Scientists? Assessing Reverse-Engineering of Black-Box Systems

arXiv.org Artificial Intelligence

Using AI to create autonomous researchers has the potential to accelerate scientific discovery. A prerequisite for this vision is understanding how well an AI model can identify the underlying structure of a black-box system from its behavior. In this paper, we explore how well a large language model (LLM) learns to identify a black-box function from passively observed versus actively collected data. We investigate the reverse-engineering capabilities of LLMs across three distinct types of black-box systems, each chosen to represent different problem domains where future autonomous AI researchers may have considerable impact: Program, Formal Language, and Math Equation. Through extensive experiments, we show that LLMs fail to extract information from observations, reaching a performance plateau that falls short of the ideal of Bayesian inference. However, we demonstrate that prompting LLMs to not only observe but also intervene -- actively querying the black-box with specific inputs to observe the resulting output -- improves performance by allowing LLMs to test edge cases and refine their beliefs. By providing the intervention data from one LLM to another, we show that this improvement is partly a result of engaging in the process of generating effective interventions, paralleling results in the literature on human learning. Further analysis reveals that engaging in intervention can help LLMs escape from two common failure modes: overcomplication, where the LLM falsely assumes prior knowledge about the black-box, and overlooking, where the LLM fails to incorporate observations. These insights provide practical guidance for helping LLMs more effectively reverse-engineer black-box systems, supporting their use in making new discoveries.


A Principled Bayesian Framework for Training Binary and Spiking Neural Networks

arXiv.org Artificial Intelligence

We propose a Bayesian framework for training binary and spiking neural networks that achieves state-of-the-art performance without normalisation layers. Unlike commonly used surrogate gradient methods -- often heuristic and sensitive to hyperparameter choices -- our approach is grounded in a probabilistic model of noisy binary networks, enabling fully end-to-end gradient-based optimisation. We introduce importance-weighted straight-through (IW-ST) estimators, a unified class generalising straight-through and relaxation-based estimators. We characterise the bias-variance trade-off in this family and derive a bias-minimising objective implemented via an auxiliary loss. Building on this, we introduce Spiking Bayesian Neural Networks (SBNNs), a variational inference framework that uses posterior noise to train Binary and Spiking Neural Networks with IW-ST. This Bayesian approach minimises gradient bias, regularises parameters, and introduces dropout-like noise. By linking low-bias conditions, vanishing gradients, and the KL term, we enable training of deep residual networks without normalisation. Experiments on CIFAR-10, DVS Gesture, and SHD show our method matches or exceeds existing approaches without normalisation or hand-tuned gradients.


Stochastic Weight Sharing for Bayesian Neural Networks

arXiv.org Artificial Intelligence

While offering a principled framework for uncertainty quantification in deep learning, the employment of Bayesian Neural Networks (BNNs) is still constrained by their increased computational requirements and the convergence difficulties when training very deep, state-of-the-art architectures. In this work, we reinterpret weight-sharing quantization techniques from a stochastic perspective in the context of training and inference with Bayesian Neural Networks (BNNs). Specifically, we leverage 2D adaptive Gaussian distributions, Wasserstein distance estimations, and alpha blending to encode the stochastic behaviour of a BNN in a lower dimensional, soft Gaussian representation. Through extensive empirical investigation, we demonstrate that our approach significantly reduces the computational overhead inherent in Bayesian learning by several orders of magnitude, enabling the efficient Bayesian training of large-scale models, such as ResNet-101 and Vision Transformer (VIT). On various computer vision benchmarks including CIFAR10, CIFAR100, and ImageNet1k. Our approach compresses model parameters by approximately 50x and reduces model size by 75, while achieving accuracy and uncertainty estimations comparable to the state-of-the-art.


GPT Editors, Not Authors: The Stylistic Footprint of LLMs in Academic Preprints

arXiv.org Artificial Intelligence

The proliferation of Large Language Models (LLMs) in late 2022 has impacted academic writing, threatening credibility, and causing institutional uncertainty. We seek to determine the degree to which LLMs are used to generate critical text as opposed to being used for editing, such as checking for grammar errors or inappropriate phrasing. In our study, we analyze arXiv papers for stylistic segmentation, which we measure by varying a PELT threshold against a Bayesian classifier trained on GPT-regenerated text. We find that LLM-attributed language is not predictive of stylistic segmentation, suggesting that when authors use LLMs, they do so uniformly, reducing the risk of hallucinations being introduced into academic preprints.


SurvUnc: A Meta-Model Based Uncertainty Quantification Framework for Survival Analysis

arXiv.org Artificial Intelligence

Survival analysis, which estimates the probability of event occurrence over time from censored data, is fundamental in numerous real-world applications, particularly in high-stakes domains such as healthcare and risk assessment. Despite advances in numerous survival models, quantifying the uncertainty of predictions from these models remains underexplored and challenging. The lack of reliable uncertainty quantification limits the interpretability and trustworthiness of survival models, hindering their adoption in clinical decision-making and other sensitive applications. To bridge this gap, in this work, we introduce SurvUnc, a novel meta-model based framework for post-hoc uncertainty quantification for survival models. SurvUnc introduces an anchor-based learning strategy that integrates concordance knowledge into meta-model optimization, leveraging pairwise ranking performance to estimate uncertainty effectively. Notably, our framework is model-agnostic, ensuring compatibility with any survival model without requiring modifications to its architecture or access to its internal parameters. Especially, we design a comprehensive evaluation pipeline tailored to this critical yet overlooked problem. Through extensive experiments on four publicly available benchmarking datasets and five representative survival models, we demonstrate the superiority of SurvUnc across multiple evaluation scenarios, including selective prediction, misprediction detection, and out-of-domain detection. Our results highlight the effectiveness of SurvUnc in enhancing model interpretability and reliability, paving the way for more trustworthy survival predictions in real-world applications.


Generalized Power Priors for Improved Bayesian Inference with Historical Data

arXiv.org Machine Learning

The power prior is a class of informative priors designed to incorporate historical data alongside current data in a Bayesian framework. It includes a power parameter that controls the influence of historical data, providing flexibility and adaptability. A key property of the power prior is that the resulting posterior minimizes a linear combination of KL divergences between two pseudo-posterior distributions: one ignoring historical data and the other fully incorporating it. We extend this framework by identifying the posterior distribution as the minimizer of a linear combination of Amari's $α$-divergence, a generalization of KL divergence. We show that this generalization can lead to improved performance by allowing for the data to adapt to appropriate choices of the $α$ parameter. Theoretical properties of this generalized power posterior are established, including behavior as a generalized geodesic on the Riemannian manifold of probability distributions, offering novel insights into its geometric interpretation.


Estimation of discrete distributions in relative entropy, and the deviations of the missing mass

arXiv.org Machine Learning

We study the problem of estimating a distribution over a finite alphabet from an i.i.d. sample, with accuracy measured in relative entropy (Kullback-Leibler divergence). While optimal expected risk bounds are known, high-probability guarantees remain less well-understood. First, we analyze the classical Laplace (add-one) estimator, obtaining matching upper and lower bounds on its performance and showing its optimality among confidence-independent estimators. We then characterize the minimax-optimal high-probability risk, which is attained via a simple confidence-dependent smoothing technique. Interestingly, the optimal non-asymptotic risk exhibits an additional logarithmic factor over the ideal asymptotic risk. Next, motivated by scenarios where the alphabet exceeds the sample size, we investigate methods that adapt to the sparsity of the distribution at hand. We introduce an estimator using data-dependent smoothing, for which we establish a high-probability risk bound depending on two effective sparsity parameters. As part of the analysis, we also derive a sharp high-probability upper bound on the missing mass.


Graph-Smoothed Bayesian Black-Box Shift Estimator and Its Information Geometry

arXiv.org Machine Learning

Label shift adaptation aims to recover target class priors when the labelled source distribution $P$ and the unlabelled target distribution $Q$ share $P(X \mid Y) = Q(X \mid Y)$ but $P(Y) \neq Q(Y)$. Classical black-box shift estimators invert an empirical confusion matrix of a frozen classifier, producing a brittle point estimate that ignores sampling noise and similarity among classes. We present Graph-Smoothed Bayesian BBSE (GS-B$^3$SE), a fully probabilistic alternative that places Laplacian-Gaussian priors on both target log-priors and confusion-matrix columns, tying them together on a label-similarity graph. The resulting posterior is tractable with HMC or a fast block Newton-CG scheme. We prove identifiability, $N^{-1/2}$ contraction, variance bounds that shrink with the graph's algebraic connectivity, and robustness to Laplacian misspecification. We also reinterpret GS-B$^3$SE through information geometry, showing that it generalizes existing shift estimators.


Incremental Sequence Classification with Temporal Consistency

arXiv.org Machine Learning

We address the problem of incremental sequence classification, where predictions are updated as new elements in the sequence are revealed. Drawing on temporal-difference learning from reinforcement learning, we identify a temporal-consistency condition that successive predictions should satisfy. We leverage this condition to develop a novel loss function for training incremental sequence classifiers. Through a concrete example, we demonstrate that optimizing this loss can offer substantial gains in data efficiency. We apply our method to text classification tasks and show that it improves predictive accuracy over competing approaches on several benchmark datasets. We further evaluate our approach on the task of verifying large language model generations for correctness in grade-school math problems. Our results show that models trained with our method are better able to distinguish promising generations from unpromising ones after observing only a few tokens.