Many Bayesian statistical inference problems come down to computing a maximum a-posteriori (MAP) assignment of latent variables. Yet, standard methods for estimating the MAP assignment do not have a finite time guarantee that the algorithm has converged to a fixed point. Previous research has found that MAP inference can be represented in dual form as a linear programming problem with a non-polynomial number of constraints. A Lagrangian relaxation of the dual yields a statistical inference algorithm as a linear programming problem. However, the decision as to which constraints to remove in the relaxation is often heuristic. We present a method for maximum a-posteriori inference in general Bayesian factor models that sequentially adds constraints to the fully relaxed dual problem using Benders' decomposition. Our method enables the incorporation of expressive integer and logical constraints in clustering problems such as must-link, cannot-link, and a minimum number of whole samples allocated to each cluster. Using this approach, we derive MAP estimation algorithms for the Bayesian Gaussian mixture model and latent Dirichlet allocation. Empirical results show that our method produces a higher optimal posterior value compared to Gibbs sampling and variational Bayes methods for standard data sets and provides certificate of convergence.

This paper analyzes the design and competitiveness of four neural network (NN) architectures recently proposed as decoders for forward error correction (FEC) codes. We first consider the so-called single-label neural network (SLNN) and the multi-label neural network (MLNN) decoders which have been reported to achieve near maximum likelihood (ML) performance. Here, we show analytically that SLNN and MLNN decoders can always achieve ML performance, regardless of the code dimensions -- although at the cost of computational complexity -- and no training is in fact required. We then turn our attention to two transformer-based decoders: the error correction code transformer (ECCT) and the cross-attention message passing transformer (CrossMPT). We compare their performance against traditional decoders, and show that ordered statistics decoding outperforms these transformer-based decoders. The results in this paper cast serious doubts on the application of NN-based FEC decoders in the short and medium block length regime.

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with sampling equilibrium conformations and are computationally expensive. Recently, deep generative models have shown promise in generating protein conformations as a more efficient alternative. However, these methods predominantly rely on the diffusion process within a 3D geometric space, which typically centers around the vicinity of metastable states and is often inefficient in terms of runtime. In this paper, we introduce Structure Language Modeling (SLM) as a novel framework for efficient protein conformation generation. Specifically, the protein structures are first encoded into a compact latent space using a discrete variational auto-encoder, followed by conditional language modeling that effectively captures sequencespecific conformation distributions. This enables a more efficient and interpretable exploration of diverse ensemble modes compared to existing methods. Based on this general framework, we instantiate SLM with various popular LM architectures as well as proposing the ESMDiff, a novel BERT-like structure language model fine-tuned from ESM3 with masked diffusion. We verify our approach in various scenarios, including the equilibrium dynamics of BPTI, conformational change pairs, and intrinsically disordered proteins. SLM provides a highly efficient solution, offering a 20-100x speedup than existing methods in generating diverse conformations, shedding light on promising avenues for future research. Protein structure dynamics are fundamental to understanding the biological functions of proteins. The ability of proteins to adopt multiple conformations is crucial for their function in influencing interactions with other biomolecules and the environment. Traditional computational methods, such as molecular dynamics (MD) simulations, have long been used to explore these dynamics. However, these methods are computationally expensive and time-consuming.

This study explored how lifestyle, personal background, and family history contribute to the risk of developing Alcohol Use Disorder (AUD). Survey data from the All of Us Program was utilized to extract information on AUD status, lifestyle, personal background, and family history for 6,016 participants. Key determinants of AUD were identified using decision trees including annual income, recreational drug use, length of residence, sex/gender, marital status, education level, and family history of AUD. Data visualization and Chi-Square Tests of Independence were then used to assess associations between identified factors and AUD. Afterwards, machine learning techniques including decision trees, random forests, and Naive Bayes were applied to predict an individual's likelihood of developing AUD. Random forests were found to achieve the highest accuracy (82%), compared to Decision Trees and Naive Bayes. Findings from this study can offer insights that help parents, healthcare professionals, and educators develop strategies to reduce AUD risk, enabling early intervention and targeted prevention efforts.

This study applies Bayesian models to predict hotel booking cancellations, a key challenge affecting resource allocation, revenue, and customer satisfaction in the hospitality industry. Using a Kaggle dataset with 36,285 observations and 17 features, Bayesian Logistic Regression and Beta-Binomial models were implemented. The logistic model, applied to 12 features and 5,000 randomly selected observations, outperformed the Beta-Binomial model in predictive accuracy. Key predictors included the number of adults, children, stay duration, lead time, car parking space, room type, and special requests. Model evaluation using Leave-One-Out Cross-Validation (LOO-CV) confirmed strong alignment between observed and predicted outcomes, demonstrating the model's robustness. Special requests and parking availability were found to be the strongest predictors of cancellation. This Bayesian approach provides a valuable tool for improving booking management and operational efficiency in the hotel industry.

One of the first tasks we learn as children is to grasp objects based on our tactile perception. Incorporating such skill in robots will enable multiple applications, such as increasing flexibility in industrial processes or providing assistance to people with physical disabilities. However, the difficulty lies in adapting the grasping strategies to a large variety of tasks and objects, which can often be unknown. The brute-force solution is to learn new grasps by trial and error, which is inefficient and ineffective. In contrast, Bayesian optimization applies active learning by adding information to the approximation of an optimal grasp. This paper proposes the use of Bayesian optimization techniques to safely perform robotic grasping. We analyze different grasp metrics to provide realistic grasp optimization in a real system including tactile sensors. An experimental evaluation in the robotic system shows the usefulness of the method for performing unknown object grasping even in the presence of noise and uncertainty inherent to a real-world environment.

Local Differential Privacy (LDP) offers strong privacy guarantees without requiring users to trust external parties. However, LDP applies uniform protection to all data features, including less sensitive ones, which degrades performance of downstream tasks. To overcome this limitation, we propose a Bayesian framework, Bayesian Coordinate Differential Privacy (BCDP), that enables feature-specific privacy quantification. This more nuanced approach complements LDP by adjusting privacy protection according to the sensitivity of each feature, enabling improved performance of downstream tasks without compromising privacy. We characterize the properties of BCDP and articulate its connections with standard non-Bayesian privacy frameworks. We further apply our BCDP framework to the problems of private mean estimation and ordinary least-squares regression. The BCDP-based approach obtains improved accuracy compared to a purely LDP-based approach, without compromising on privacy.

We study the dynamics in high dimensions of online stochastic gradient descent for the multi-spiked tensor model. This multi-index model arises from the tensor principal component analysis (PCA) problem with multiple spikes, where the goal is to estimate $r$ unknown signal vectors within the $N$-dimensional unit sphere through maximum likelihood estimation from noisy observations of a $p$-tensor. We determine the number of samples and the conditions on the signal-to-noise ratios (SNRs) required to efficiently recover the unknown spikes from natural random initializations. We show that full recovery of all spikes is possible provided a number of sample scaling as $N^{p-2}$, matching the algorithmic threshold identified in the rank-one case [Ben Arous, Gheissari, Jagannath 2020, 2021]. Our results are obtained through a detailed analysis of a low-dimensional system that describes the evolution of the correlations between the estimators and the spikes, while controlling the noise in the dynamics. We find that the spikes are recovered sequentially in a process we term "sequential elimination": once a correlation exceeds a critical threshold, all correlations sharing a row or column index become sufficiently small, allowing the next correlation to grow and become macroscopic. The order in which correlations become macroscopic depends on their initial values and the corresponding SNRs, leading to either exact recovery or recovery of a permutation of the spikes. In the matrix case, when $p=2$, if the SNRs are sufficiently separated, we achieve exact recovery of the spikes, whereas equal SNRs lead to recovery of the subspace spanned by the spikes.

In this paper, we propose a model for building natural language explanations for Bayesian Network Reasoning in terms of factor arguments, which are argumentation graphs of flowing evidence, relating the observed evidence to a target variable we want to learn about. We introduce the notion of factor argument independence to address the outstanding question of defining when arguments should be presented jointly or separately and present an algorithm that, starting from the evidence nodes and a target node, produces a list of all independent factor arguments ordered by their strength. Finally, we implemented a scheme to build natural language explanations of Bayesian Reasoning using this approach. Our proposal has been validated in the medical domain through a human-driven evaluation study where we compare the Bayesian Network Reasoning explanations obtained using factor arguments with an alternative explanation method. Evaluation results indicate that our proposed explanation approach is deemed by users as significantly more useful for understanding Bayesian Network Reasoning than another existing explanation method it is compared to.

We present a probabilistic ranking model to identify the optimal treatment in multiple-response experiments. In contemporary practice, treatments are applied over individuals with the goal of achieving multiple ideal properties on them simultaneously. However, often there are competing properties, and the optimality of one cannot be achieved without compromising the optimality of another. Typically, we still want to know which treatment is the overall best. In our framework, we first formulate overall optimality in terms of treatment ranks. Then we infer the latent ranking that allow us to report treatments from optimal to least optimal, provided ideal desirable properties. We demonstrate through simulations and real data analysis how we can achieve reliability of inferred ranks in practice. We adopt a Bayesian approach and derive an associated Markov Chain Monte Carlo algorithm to fit our model to data. Finally, we discuss the prospects of adoption of our method as a standard tool for experiment evaluation in trials-based research.