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Probabilistic Graphical Model using Graph Neural Networks for Bayesian Inversion of Discrete Structural Component States

arXiv.org Machine Learning

The health condition of components in civil infrastructures can be described by various discrete states according to their performance degradation. Inferring these states from measurable responses is typically an ill-posed inverse problem. Although Bayesian methods are well-suited to tackle such problems, computing the posterior probability density function (PDF) presents challenges. The likelihood function cannot be analytically formulated due to the unclear relationship between discrete states and structural responses, and the high-dimensional state parameters resulting from numerous components severely complicates the computation of the marginal likelihood function. To address these challenges, this study proposes a novel Bayesian inversion paradigm for discrete variables based on Probabilistic Graphical Models (PGMs). The Markov networks are employed as modeling tools, with model parameters learned from data and structural topology prior. It has been proved that inferring this PGM produces the same probabilistic estimation as the posterior PDF derived from Bayesian inference, which effectively solves the above challenges. The inference is accomplished by Graph Neural Networks (GNNs), and a graph property-based GNN training strategy is developed to enable accurate inference across varying graph scales, thereby significantly reducing the computational overhead in high-dimensional problems. Both synthetic and experimental data are used to validate the proposed framework


Inverting Foundation Models of Brain Function with Simulation-Based Inference

arXiv.org Machine Learning

Foundation models of brain activity promise a new frontier for in silico neuroscience by emulating neural responses to complex stimuli across tasks and modalities. A natural next step is to ask whether these models can also be used in reverse. Can we recover a stimulus or its properties from synthetic brain activity? We study this question in a proof-of-concept setting using TRIBEv2. We pair the brain emulator with large language models (LLMs) that generate news headlines from linguistic parameters such as valence, arousal, and dominance. We then use simulation-based inference to learn a probabilistic mapping from brain maps to latent stimulus parameters. Our results show that these parameters can be recovered from predicted brain maps, validating the quality of neural encodings. They also show that LLMs can serve as controllable stimulus generators for simulated experiments. Together, these findings provide a step toward decoding and inverse design with foundation brain models.


VLM Judges Can Rank but Cannot Score: Task-Dependent Uncertainty in Multimodal Evaluation

arXiv.org Machine Learning

Vision-language models (VLMs) are increasingly used as automated judges for multimodal systems, yet their scores provide no indication of reliability. We study this problem through conformal prediction, a distribution-free framework that converts a judge's point score into a calibrated prediction interval using only score-token log-probabilities, with no retraining. We present the first systematic analysis of conformal prediction for VLM-as-a-Judge across 3 judges and 14 visual task categories. Our results show that evaluation uncertainty is strongly task-dependent: intervals cover ~40% of the score range for aesthetics and natural images but expand to ~70% for chart and mathematical reasoning, yielding a quantitative reliability map for multimodal evaluation. We further identify a failure mode not captured by standard evaluation metrics, ranking-scoring decoupling, where judges achieve high ranking correlation while producing wide, uninformative intervals, correctly ordering responses but failing to assign reliable absolute scores. Finally, we show that interval width is driven primarily by task difficulty and annotation quality, i.e., the same judge and method yield 4.5x narrower intervals on a clean, multi-annotator captioning benchmark. Code: https://github.com/divake/VLM-Judge-Uncertainty


Adversarial Robustness of NTK Neural Networks

arXiv.org Machine Learning

Deep learning models are widely deployed in safety-critical domains, but remain vulnerable to adversarial attacks. In this paper, we study the adversarial robustness of NTK neural networks in the context of nonparametric regression. We establish minimax optimal rates for adversarial regression in Sobolev spaces and then show that NTK neural networks, trained via gradient flow with early stopping, can achieve this optimal rate. However, in the overfitting regime, we prove that the minimum norm interpolant is vulnerable to adversarial perturbations.


Occam's Razor is Only as Sharp as Your ELBO

arXiv.org Machine Learning

The marginal likelihood, also known as the evidence, is regarded as a mathematical embodiment of Occam's razor, enabling model selection that avoids overfitting. The evidence lower bound (ELBO) objective from variational inference has also been used for similar purposes. Prior work has shown that restricting the approximate posterior family via a mean-field approximation can lead the ELBO to underfit. In this paper, we show how ELBO-based hyperparameter learning in a simple over-parameterized regression model can also produce overfitting, depending on the assumed rank of the covariance matrix in a Gaussian approximate posterior. Surprisingly, among only the underfit and overfit options, Bayesian model selection via the evidence itself sometimes prefers the overfit version, while the ELBO does not. Bayesian practitioners hoping to scale to large models should be cautious about how reduced-rank assumptions needed for tractability may impact the potential for model selection.


Safe, Scalable, and Accurate Bayes Posterior Sampling for Large-Data Generalized Linear Mixed Models

arXiv.org Machine Learning

We consider the problem of scalable sampling algorithms to fit Bayesian generalized linear mixed models on large datasets. Stochastic gradient Langevin dynamics, coupled with smooth re-parameterizations of variance parameters, produces divergent Markov chains and cannot be reliably used for sampling covariance parameters of random effects. We advocate the use of a mirror Langevin dynamics algorithm, propose the novel stochastic mirror Langevin dynamics based on data subsampling, and provide concrete guidelines for its use in a Bayesian inference framework. Based on an explicit Wasserstein distance error bound between the posterior and its algorithmic approximation, we propose a post-processing step that yields an asymptotic, order-wise correct estimation of the posterior variance, eliminating the irreducible posterior variance estimation bias due to subsampling. Empirical performance of the method is evaluated through simulated experiments and a longitudinal study of pain trajectories in a study of breast cancer survivors.


Robust Representation Learning through Explicit Environment Modeling

arXiv.org Machine Learning

We consider learning from labeled data collected across multiple environments, where the data distribution may vary across these environments. This problem is commonly approached from a causal perspective, seeking invariant representations that retain causal factors while discarding spurious ones. However, this framework assumes that the environment has no direct effect on the target. In contrast, we consider settings in which this assumption fails, but still aim to learn representations that support robust prediction on average across previously unseen environments. To this end, we study representations learned by explicitly modeling variation across environments and then marginalizing that variation out. We analyze the resulting representations and characterize when they are preferable to those learned by causal invariant-representation methods. We propose a concrete method based on generalized random-intercept models, a class of predictors in which such marginalization is possible, and study their generalization properties. Empirically, we show that these models outperform invariant-learning methods across a range of challenging settings.


Budget-Constrained Causal Bandits: Bridging Uplift Modeling and Sequential Decision-Making

arXiv.org Machine Learning

Treatment allocation under budget constraints is a central challenge in digital advertising: advertisers must decide which users to show ads to while spending a limited budget wisely. The standard approach follows a two-stage offline pipeline - first collect historical data to estimate heterogeneous treatment effects (HTE), then solve a constrained optimization to allocate the budget. This works well with abundant data, but fails in cold-start settings such as new campaigns, new markets, or new customer segments where little historical data exists. We propose Budget-Constrained Causal Bandits (BCCB), an online framework that learns which users respond to ads while simultaneously spending the budget, making treatment decisions one user at a time. BCCB unifies three components into a single sequential process: learning individual-level ad effectiveness, exploring users whose response is uncertain, and pacing the budget over time. We evaluated on the Criteo Uplift dataset, a large-scale advertising dataset from a real randomized controlled trial. Our key finding is a data-efficiency crossover: offline methods require approximately 10,000 historical observations to produce reliable results, while BCCB operates effectively from the very first user. Furthermore, BCCB exhibits 3-5x lower performance variance between runs, making it more practical for real campaign planning. Among purely online methods, BCCB consistently outperforms standard Thompson Sampling, budgeted Thompson Sampling, and greedy HTE estimation across all budget levels tested.


Probabilistic data quality assessment for structural monitoring data via outlier-resistant conditional diffusion model

arXiv.org Machine Learning

Data quality assessment is an essential step that ensures the reliability of the subsequent structural health monitoring (SHM) tasks. This study proposes a prediction deviation-based SHM data quality assessment method using a univariate implicit auto-regressive model, enabling outlier diagnosis and data cleaning. The proposed conditional diffusion model (CDM) augments the standard diffusion model with a conditional embedding module to incorporate temporal context, quartile normalization to mitigate distribution skew, and a Huber loss to enhance robustness against outliers. Within this univariate implicit autoregressive framework, each data point is assigned an outlier probability, quantifying its degree of "outlier-ness", and a global quality evaluation score is computed to characterize the overall dataset quality. Extensive case studies utilizing operational data from real-world structures demonstrate that the proposed framework significantly improves the accuracy of data quality assessment, outperforming other strong baselines representative of clustering, isolation-based, and deep reconstruction methods. The effectiveness and robustness of the proposed framework are further demonstrated by the findings of ablation experiments and hyperparameter analysis.


Deep-testing: the case of dependence detection

arXiv.org Machine Learning

Deep learning methods have proved highly effective for classification and image recognition problems. In this paper, we ask whether this success can be transferred to hypothesis testing: if a neural network can distinguish, for example, an image of a handwritten digit from another, can it also distinguish an "image of a sample" (such as a scatter plot) generated under a given statistical model from one generated outside that model? Motivated by this idea, we propose a novel procedure called deep-testing, which approaches the classical inferential problem of hypothesis testing through deep learning. More specifically, the test statistic is a classification map learned by a deep neural network from simulated data satisfying the null and alternative hypotheses, leveraging its strong discriminating power to construct a highly powerful test. As a proof of concept, we apply deep-testing to the problem of independence testing, arguably one of the most important problems in statistics. In a large-scale simulation study, deep-testing achieves the highest overall power against nineteen competing methods across a broad range of complex dependence structures, confirming the viability of the proposed approach.