Decision-focused (DF) model-based reinforcement learning has recently been introduced as a powerful algorithm that can focus on learning the MDP dynamics that are most relevant for obtaining high returns. While this approach increases the agent's performance by directly optimizing the reward, it does so by learning less accurate dynamics from a maximum likelihood perspective. We demonstrate that when the reward function is defined by preferences over multiple objectives, the DF model may be sensitive to changes in the objective preferences.In this work, we develop the robust decision-focused (RDF) algorithm, which leverages the non-identifiability of DF solutions to learn models that maximize expected returns while simultaneously learning models that transfer to changes in the preference over multiple objectives. We demonstrate the effectiveness of RDF on two synthetic domains and two healthcare simulators, showing that it significantly improves the robustness of DF model learning to changes in the reward function without compromising training-time return.

Bayesian neural networks (BNNs) are a principled approach to modeling predictive uncertainties in deep learning, which are important in safety-critical applications. Since exact Bayesian inference over the weights in a BNN is intractable, various approximate inference methods exist, among which sampling methods such as Hamiltonian Monte Carlo (HMC) are often considered the gold standard. While HMC provides high-quality samples, it lacks interpretable summary statistics because its sample mean and variance is meaningless in neural networks due to permutation symmetry. In this paper, we first show that the role of permutations can be meaningfully quantified by a number of transpositions metric. We then show that the recently proposed rebasin method [1] allows us to summarize HMC samples into a compact representation that provides a meaningful explicit uncertainty estimate for each weight in a neural network, thus unifying sampling methods with variational inference. We show that this compact representation allows us to compare trained BNNs directly in weight space across sampling methods and variational inference, and to efficiently prune neural networks trained without explicit Bayesian frameworks by exploiting uncertainty estimates from HMC.

Uncertainty quantification is a critical aspect of machine learning models, providing important insights into the reliability of predictions and aiding the decision-making process in real-world applications. This paper proposes a novel way to use variance-based measures to quantify uncertainty on the basis of second-order distributions in classification problems. A distinctive feature of the measures is the ability to reason about uncertainties on a class-based level, which is useful in situations where nuanced decision-making is required. Recalling some properties from the literature, we highlight that the variance-based measures satisfy important (axiomatic) properties. In addition to this axiomatic approach, we present empirical results showing the measures to be effective and competitive to commonly used entropy-based measures.

Many modern statistical analysis and machine learning applications require training models on sensitive user data. Differential privacy provides a formal guarantee that individual-level information about users does not leak. In this framework, randomized algorithms inject calibrated noise into the confidential data, resulting in privacy-protected datasets or queries. However, restricting access to only privatized data during statistical analysis makes it computationally challenging to make valid inferences on the parameters underlying the confidential data. In this work, we propose simulation-based inference methods from privacy-protected datasets. In addition to sequential Monte Carlo approximate Bayesian computation, we use neural conditional density estimators as a flexible family of distributions to approximate the posterior distribution of model parameters given the observed private query results. We illustrate our methods on discrete time-series data under an infectious disease model and with ordinary linear regression models. Illustrating the privacy-utility trade-off, our experiments and analysis demonstrate the necessity and feasibility of designing valid statistical inference procedures to correct for biases introduced by the privacy-protection mechanisms.

We propose the Plaid Atoms Model (PAM), a novel Bayesian nonparametric model for grouped data. Founded on an idea of `atom skipping', PAM is part of a well-established category of models that generate dependent random distributions and clusters across multiple groups. Atom skipping referrs to stochastically assigning 0 weights to atoms in an infinite mixture. Deploying atom skipping across groups, PAM produces a dependent clustering pattern with overlapping and non-overlapping clusters across groups. As a result, interpretable posterior inference is possible such as reporting the posterior probability of a cluster being exclusive to a single group or shared among a subset of groups. We discuss the theoretical properties of the proposed and related models. Minor extensions of the proposed model for multivariate or count data are presented. Simulation studies and applications using real-world datasets illustrate the performance of the new models with comparison to existing models.

Vector quantization (VQ) is a technique to deterministically learn features with discrete codebook representations. It is commonly performed with a variational autoencoding model, VQ-VAE, which can be further extended to hierarchical structures for making high-fidelity reconstructions. However, such hierarchical extensions of VQ-VAE often suffer from the codebook/layer collapse issue, where the codebook is not efficiently used to express the data, and hence degrades reconstruction accuracy. To mitigate this problem, we propose a novel unified framework to stochastically learn hierarchical discrete representation on the basis of the variational Bayes framework, called hierarchically quantized variational autoencoder (HQ-VAE). HQ-VAE naturally generalizes the hierarchical variants of VQ-VAE, such as VQ-VAE-2 and residual-quantized VAE (RQ-VAE), and provides them with a Bayesian training scheme. Our comprehensive experiments on image datasets show that HQ-VAE enhances codebook usage and improves reconstruction performance.

The hybrid neural differentiable models mark a significant advancement in the field of scientific machine learning. These models, integrating numerical representations of known physics into deep neural networks, offer enhanced predictive capabilities and show great potential for data-driven modeling of complex physical systems. However, a critical and yet unaddressed challenge lies in the quantification of inherent uncertainties stemming from multiple sources. Addressing this gap, we introduce a novel method, DiffHybrid-UQ, for effective and efficient uncertainty propagation and estimation in hybrid neural differentiable models, leveraging the strengths of deep ensemble Bayesian learning and nonlinear transformations. Specifically, our approach effectively discerns and quantifies both aleatoric uncertainties, arising from data noise, and epistemic uncertainties, resulting from model-form discrepancies and data sparsity. This is achieved within a Bayesian model averaging framework, where aleatoric uncertainties are modeled through hybrid neural models. The unscented transformation plays a pivotal role in enabling the flow of these uncertainties through the nonlinear functions within the hybrid model. In contrast, epistemic uncertainties are estimated using an ensemble of stochastic gradient descent (SGD) trajectories. This approach offers a practical approximation to the posterior distribution of both the network parameters and the physical parameters. Notably, the DiffHybrid-UQ framework is designed for simplicity in implementation and high scalability, making it suitable for parallel computing environments. The merits of the proposed method have been demonstrated through problems governed by both ordinary and partial differentiable equations.

Satisfiability Modulo Counting (SMC) encompasses problems that require both symbolic decision-making and statistical reasoning. Its general formulation captures many real-world problems at the intersection of symbolic and statistical Artificial Intelligence. SMC searches for policy interventions to control probabilistic outcomes. Solving SMC is challenging because of its highly intractable nature($\text{NP}^{\text{PP}}$-complete), incorporating statistical inference and symbolic reasoning. Previous research on SMC solving lacks provable guarantees and/or suffers from sub-optimal empirical performance, especially when combinatorial constraints are present. We propose XOR-SMC, a polynomial algorithm with access to NP-oracles, to solve highly intractable SMC problems with constant approximation guarantees. XOR-SMC transforms the highly intractable SMC into satisfiability problems, by replacing the model counting in SMC with SAT formulae subject to randomized XOR constraints. Experiments on solving important SMC problems in AI for social good demonstrate that XOR-SMC finds solutions close to the true optimum, outperforming several baselines which struggle to find good approximations for the intractable model counting in SMC.

Semi-supervised learning (SSL) approaches have been successfully applied in a wide range of engineering and scientific fields. This paper investigates the generative model framework with a missingness mechanism for unclassified observations, as introduced by Ahfock and McLachlan(2020). We show that in a partially classified sample, a classifier using Bayes rule of allocation with a missing-data mechanism can surpass a fully supervised classifier in a two-class normal homoscedastic model, especially with moderate to low overlap and proportion of missing class labels, or with large overlap but few missing labels. It also outperforms a classifier with no missing-data mechanism regardless of the overlap region or the proportion of missing class labels. Our exploration of two- and three-component normal mixture models with unequal covariances through simulations further corroborates our findings. Finally, we illustrate the use of the proposed classifier with a missing-data mechanism on interneuronal and skin lesion datasets.

This paper presents a systematic literature review (SLR) on the explainability and interpretability of machine learning (ML) models within the context of predictive process mining, using the PRISMA framework. Given the rapid advancement of artificial intelligence (AI) and ML systems, understanding the "black-box" nature of these technologies has become increasingly critical. Focusing specifically on the domain of process mining, this paper delves into the challenges of interpreting ML models trained with complex business process data. We differentiate between intrinsically interpretable models and those that require post-hoc explanation techniques, providing a comprehensive overview of the current methodologies and their applications across various application domains. Through a rigorous bibliographic analysis, this research offers a detailed synthesis of the state of explainability and interpretability in predictive process mining, identifying key trends, challenges, and future directions. Our findings aim to equip researchers and practitioners with a deeper understanding of how to develop and implement more trustworthy, transparent, and effective intelligent systems for predictive process analytics.