Stochastic processes on graphs are a powerful tool for modelling complex dynamical systems such as epidemics. A recent line of work focused on the inference problem where one aims to estimate the state of every node at every time, starting from partial observation of a subset of nodes at a subset of times. In these works, the initial state of the process was assumed to be random i.i.d. over nodes. Such an assumption may not be realistic in practice, where one may have access to a set of covariate variables for every node that influence the initial state of the system. In this work, we will assume that the initial state of a node is an unknown function of such covariate variables. Given that functions can be represented by neural networks, we will study a model where the initial state is given by a simple neural network -- notably the single-layer perceptron acting on the known node-wise covariate variables. Within a Bayesian framework, we study how such neural-network prior information enhances the recovery of initial states and spreading trajectories. We derive a hybrid belief propagation and approximate message passing (BP-AMP) algorithm that handles both the spreading dynamics and the information included in the node covariates, and we assess its performance against the estimators that either use only the spreading information or use only the information from the covariate variables. We show that in some regimes, the model can exhibit first-order phase transitions when using a Rademacher distribution for the neural-network weights. These transitions create a statistical-to-computational gap where even the BP-AMP algorithm, despite the theoretical possibility of perfect recovery, fails to achieve it.

As large language models (LLMs) gain popularity in conducting prediction tasks in-context, understanding the sources of uncertainty in in-context learning becomes essential to ensuring reliability. The recent hypothesis of in-context learning performing predictive Bayesian inference opens the avenue for Bayesian uncertainty estimation, particularly for decomposing uncertainty into epistemic uncertainty due to lack of in-context data and aleatoric uncertainty inherent in the in-context prediction task. However, the decomposition idea remains under-explored due to the intractability of the latent parameter posterior from the underlying Bayesian model. In this work, we introduce a variational uncertainty decomposition framework for in-context learning without explicitly sampling from the latent parameter posterior, by optimising auxiliary queries as probes to obtain an upper bound to the aleatoric uncertainty of an LLM's in-context learning procedure, which also induces a lower bound to the epistemic uncertainty. Through experiments on synthetic and real-world tasks, we show quantitatively and qualitatively that the decomposed uncertainties obtained from our method exhibit desirable properties of epistemic and aleatoric uncertainty.

At its core, the package implements an efficient Mode Jumping Markov Chain Monte Carlo (MJMCMC) algorithm, designed to improve mixing in multi-modal posterior landscapes within Bayesian generalized linear models. In addition, it provides a genetically modified MJMCMC (GMJMCMC) algorithm that introduces nonlinear feature generation, thereby enabling the estimation of Bayesian generalized nonlinear models (BGNLMs). Within this framework, the algorithm maintains and updates populations of transformed features, computes their posterior probabilities, and evaluates the posteriors of models constructed from them. We demonstrate the effective use of FBMS for both inferential and predictive modeling in Gaussian regression, focusing on different instances of the BGNLM class of models. Furthermore, through a broad set of applications, we illustrate how the methodology can be extended to increasingly complex modeling scenarios, extending to other response distributions and mixed effect models.

Accurate disease risk prediction based on genomic and clinical data can lead to more effective disease screening, early prevention, and personalized treatment strategies. However, despite the identifications of hundreds of disease-associated genomic and molecular features for many disease traits through genome-wide studies in the past two decades, drug resistance often causes the targeted therapies to fail in cancer patients, which is largely due to tumor heterogeneity (Zhang et al., 2022). For advanced cancers, tumor heterogeneity encompasses both the malignant cells and their microenvironment, which makes it challenging to develop accurate prediction models for personalized treatment strategies that account for intratumor heterogeneity. Single-cell technologies provide an unprecedented opportunity for dissecting the interplay between the cancer cells and the associated tumor microenvironment (TME), and the produced high-dimensional omics data should also augment existing survival modeling approaches for identifying tumor cell type-specific genes predictive of cancer patient survival.

Bayesian inference is useful to obtain a predictive distribution with a small generalization error. However, since posterior distributions are rarely evaluated analytically, we employ the variational Bayesian inference or sampling method to approximate posterior distributions. When we obtain samples from a posterior distribution, Hamiltonian Monte Carlo (HMC) has been widely used for the continuous variable part and Markov chain Monte Carlo (MCMC) for the discrete variable part. Another sampling method, the bouncy particle sampler (BPS), has been proposed, which combines uniform linear motion and stochastic reflection to perform sampling. BPS was reported to have the advantage of being easier to set simulation parameters than HMC. To accelerate the convergence to a posterior distribution, we introduced parallel tempering (PT) to BPS, and then proposed an algorithm when the inverse temperature exchange rate is set to infinity. We performed numerical simulations and demonstrated its effectiveness for multimodal distribution.

Time Series Anomaly Detection metrics serve as crucial tools for model evaluation. However, existing metrics suffer from several limitations: insufficient discriminative power, strong hyperparameter dependency, sensitivity to perturbations, and high computational overhead. This paper introduces Confidence-Consistency Evaluation (CCE), a novel evaluation metric that simultaneously measures prediction confidence and uncertainty consistency. By employing Bayesian estimation to quantify the uncertainty of anomaly scores, we construct both global and event-level confidence and consistency scores for model predictions, resulting in a concise CCE metric. Theoretically and experimentally, we demonstrate that CCE possesses strict boundedness, Lipschitz robustness against score perturbations, and linear time complexity $\mathcal{O}(n)$. Furthermore, we establish RankEval, a benchmark for comparing the ranking capabilities of various metrics. RankEval represents the first standardized and reproducible evaluation pipeline that enables objective comparison of evaluation metrics. Both CCE and RankEval implementations are fully open-source.

This paper investigates the expected excess risk of In-Context Learning (ICL) for multi-class classification. We model each task as a sequence of labeled prompt samples and a query input, where a pre-trained model estimates the conditional class probabilities of the query. The expected excess risk is defined as the average truncated Kullback-Leibler (KL) divergence between the predicted and ground-truth conditional class distributions, averaged over a specified family of tasks. We establish a new oracle inequality for the expected excess risk based on KL divergence in multiclass classification. This allows us to derive tight upper and lower bounds for the expected excess risk in transformer-based models, demonstrating that the ICL estimator achieves the minimax optimal rate--up to a logarithmic factor--for conditional probability estimation. From a technical standpoint, our results introduce a novel method for controlling generalization error using the uniform empirical covering entropy of the log-likelihood function class. Furthermore, we show that multilayer perceptrons (MLPs) can also perform ICL and achieve this optimal rate under specific assumptions, suggesting that transformers may not be the exclusive architecture capable of effective ICL.

Gradient-based causal discovery shows great potential for deducing causal structure from data in an efficient and scalable way. Those approaches however can be susceptible to distributional biases in the data they are trained on. We identify two such biases: Marginal Distribution Asymmetry, where differences in entropy skew causal learning toward certain factorizations, and Marginal Distribution Shift Asymmetry, where repeated interventions cause faster shifts in some variables than in others. For the bivariate categorical setup with Dirichlet priors, we illustrate how these biases can occur even in controlled synthetic data. To examine their impact on gradient-based methods, we employ two simple models that derive causal factorizations by learning marginal or conditional data distributions - a common strategy in gradient-based causal discovery. We demonstrate how these models can be susceptible to both biases. We additionally show how the biases can be controlled. An empirical evaluation of two related, existing approaches indicates that eliminating competition between possible causal factorizations can make models robust to the presented biases.

We introduce bandit importance sampling (BIS), a new class of importance sampling methods designed for settings where the target density is expensive to evaluate. In contrast to adaptive importance sampling, which optimises a proposal distribution, BIS directly designs the samples through a sequential strategy that combines space-filling designs with multi-armed bandits. Our method leverages Gaussian process surrogates to guide sample selection, enabling efficient exploration of the parameter space with minimal target evaluations. We establish theoretical guarantees on convergence and demonstrate the effectiveness of the method across a broad range of sampling tasks. BIS delivers accurate approximations with fewer target evaluations, outperforming competing approaches across multimodal, heavy-tailed distributions, and real-world applications to Bayesian inference of computationally expensive models.

This study evaluates the integration of Bloom's Taxonomy into OneClickQuiz, an Artificial Intelligence (AI) driven plugin for automating Multiple-Choice Question (MCQ) generation in Moodle. Bloom's Taxonomy provides a structured framework for categorizing educational objectives into hierarchical cognitive levels. Our research investigates whether incorporating this taxonomy can improve the alignment of AI-generated questions with specific cognitive objectives. We developed a dataset of 3691 questions categorized according to Bloom's levels and employed various classification models-Multinomial Logistic Regression, Naive Bayes, Linear Support Vector Classification (SVC), and a Transformer-based model (DistilBERT)-to evaluate their effectiveness in categorizing questions. Our results indicate that higher Bloom's levels generally correlate with increased question length, Flesch-Kincaid Grade Level (FKGL), and Lexical Density (LD), reflecting the increased complexity of higher cognitive demands. Multinomial Logistic Regression showed varying accuracy across Bloom's levels, performing best for "Knowledge" and less accurately for higher-order levels. Merging higher-level categories improved accuracy for complex cognitive tasks. Naive Bayes and Linear SVC also demonstrated effective classification for lower levels but struggled with higher-order tasks. DistilBERT achieved the highest performance, significantly improving classification of both lower and higher-order cognitive levels, achieving an overall validation accuracy of 91%. This study highlights the potential of integrating Bloom's Taxonomy into AI-driven assessment tools and underscores the advantages of advanced models like DistilBERT for enhancing educational content generation.