We propose a physics-informed machine learning method for uncertainty quantification in high-dimensional inverse problems. In this method, the states and parameters of partial differential equations (PDEs) are approximated with truncated conditional Karhunen-Lo\`eve expansions (CKLEs), which, by construction, match the measurements of the respective variables. The maximum a posteriori (MAP) solution of the inverse problem is formulated as a minimization problem over CKLE coefficients where the loss function is the sum of the norm of PDE residuals and the $\ell_2$ regularization term. This MAP formulation is known as the physics-informed CKLE (PICKLE) method. Uncertainty in the inverse solution is quantified in terms of the posterior distribution of CKLE coefficients, and we sample the posterior by solving a randomized PICKLE minimization problem, formulated by adding zero-mean Gaussian perturbations in the PICKLE loss function. We call the proposed approach the randomized PICKLE (rPICKLE) method. For linear and low-dimensional nonlinear problems (15 CKLE parameters), we show analytically and through comparison with Hamiltonian Monte Carlo (HMC) that the rPICKLE posterior converges to the true posterior given by the Bayes rule. For high-dimensional non-linear problems with 2000 CKLE parameters, we numerically demonstrate that rPICKLE posteriors are highly informative--they provide mean estimates with an accuracy comparable to the estimates given by the MAP solution and the confidence interval that mostly covers the reference solution. We are not able to obtain the HMC posterior to validate rPICKLE's convergence to the true posterior due to the HMC's prohibitive computational cost for the considered high-dimensional problems. Our results demonstrate the advantages of rPICKLE over HMC for approximately sampling high-dimensional posterior distributions subject to physics constraints.

This paper studies a discrete-time mean-variance model based on reinforcement learning. Compared with its continuous-time counterpart in \cite{zhou2020mv}, the discrete-time model makes more general assumptions about the asset's return distribution. Using entropy to measure the cost of exploration, we derive the optimal investment strategy, whose density function is also Gaussian type. Additionally, we design the corresponding reinforcement learning algorithm. Both simulation experiments and empirical analysis indicate that our discrete-time model exhibits better applicability when analyzing real-world data than the continuous-time model.

As artificial intelligence (AI) systems become increasingly integrated into various domains, ensuring that they align with human values becomes critical. This paper introduces a novel formalism to quantify the alignment between AI systems and human values, using Markov Decision Processes (MDPs) as the foundational model. We delve into the concept of values as desirable goals tied to actions and norms as behavioral guidelines, aiming to shed light on how they can be used to guide AI decisions. This framework offers a mechanism to evaluate the degree of alignment between norms and values by assessing preference changes across state transitions in a normative world. By utilizing this formalism, AI developers and ethicists can better design and evaluate AI systems to ensure they operate in harmony with human values. The proposed methodology holds potential for a wide range of applications, from recommendation systems emphasizing well-being to autonomous vehicles prioritizing safety.

The task of collision-free navigation (CFN) of self-driving cars is an NP-hard problem usually tackled using Deep Reinforcement Learning (DRL). While DRL methods have proven to be effective, their implementation requires substantial computing resources and extended training periods to develop a robust agent. On the other hand, quantum reinforcement learning has recently demonstrated faster convergence and improved stability in simple, non-real-world environments. In this work, we propose Nav-Q, the first quantum-supported DRL algorithm for CFN of self-driving cars, that leverages quantum computation for improving the training performance without the requirement for onboard quantum hardware. Nav-Q is based on the actor-critic approach, where the critic is implemented using a hybrid quantum-classical algorithm suitable for near-term quantum devices. We assess the performance of Nav-Q using the CARLA driving simulator, a de facto standard benchmark for evaluating state-of-the-art DRL methods. Our empirical evaluations showcase that Nav-Q surpasses its classical counterpart in terms of training stability and, in certain instances, with respect to the convergence rate. Furthermore, we assess Nav-Q in relation to effective dimension, unveiling that the incorporation of a quantum component results in a model with greater descriptive power compared to classical baselines. Finally, we evaluate the performance of Nav-Q using noisy quantum simulation, observing that the quantum noise deteriorates the training performances but enhances the exploratory tendencies of the agent during training.

Reinforcement learning-based large language models, such as ChatGPT, are believed to have potential to aid human experts in many domains, including healthcare. There is, however, little work on ChatGPT's ability to perform a key task in healthcare: formal, probabilistic medical diagnostic reasoning. This type of reasoning is used, for example, to update a pre-test probability to a post-test probability. In this work, we probe ChatGPT's ability to perform this task. In particular, we ask ChatGPT to give examples of how to use Bayes rule for medical diagnosis. Our prompts range from queries that use terminology from pure probability (e.g., requests for a posterior of A given B and C) to queries that use terminology from medical diagnosis (e.g., requests for a posterior probability of Covid given a test result and cough). We show how the introduction of medical variable names leads to an increase in the number of errors that ChatGPT makes. Given our results, we also show how one can use prompt engineering to facilitate ChatGPT's partial avoidance of these errors. We discuss our results in light of recent commentaries on sensitivity and specificity. We also discuss how our results might inform new research directions for large language models.

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

In nonstationary bandit learning problems, the decision-maker must continually gather information and adapt their action selection as the latent state of the environment evolves. In each time period, some latent optimal action maximizes expected reward under the environment state. We view the optimal action sequence as a stochastic process, and take an information-theoretic approach to analyze attainable performance. We bound limiting per-period regret in terms of the entropy rate of the optimal action process. The bound applies to a wide array of problems studied in the literature and reflects the problem's information structure through its information-ratio.

In pool-based active learning, the learner is given an unlabeled data set and aims to efficiently learn the unknown hypothesis by querying the labels of the data points. This can be formulated as the classical Optimal Decision Tree (ODT) problem: Given a set of tests, a set of hypotheses, and an outcome for each pair of test and hypothesis, our objective is to find a low-cost testing procedure (i.e., decision tree) that identifies the true hypothesis. This optimization problem has been extensively studied under the assumption that each test generates a deterministic outcome. However, in numerous applications, for example, clinical trials, the outcomes may be uncertain, which renders the ideas from the deterministic setting invalid. In this work, we study a fundamental variant of the ODT problem in which some test outcomes are noisy, even in the more general case where the noise is persistent, i.e., repeating a test gives the same noisy output. Our approximation algorithms provide guarantees that are nearly best possible and hold for the general case of a large number of noisy outcomes per test or per hypothesis where the performance degrades continuously with this number. We numerically evaluated our algorithms for identifying toxic chemicals and learning linear classifiers, and observed that our algorithms have costs very close to the information-theoretic minimum.

Deep Neural Networks (DNNs) are powerful tools for various computer vision tasks, yet they often struggle with reliable uncertainty quantification - a critical requirement for real-world applications. Bayesian Neural Networks (BNN) are equipped for uncertainty estimation but cannot scale to large DNNs that are highly unstable to train. To address this challenge, we introduce the Adaptable Bayesian Neural Network (ABNN), a simple and scalable strategy to seamlessly transform DNNs into BNNs in a post-hoc manner with minimal computational and training overheads. ABNN preserves the main predictive properties of DNNs while enhancing their uncertainty quantification abilities through simple BNN adaptation layers (attached to normalization layers) and a few fine-tuning steps on pre-trained models. We conduct extensive experiments across multiple datasets for image classification and semantic segmentation tasks, and our results demonstrate that ABNN achieves state-of-the-art performance without the computational budget typically associated with ensemble methods.

Although the applications of artificial intelligence especially deep learning had greatly improved various aspects of intelligent manufacturing, they still face challenges for wide employment due to the poor generalization ability, difficulties to establish high-quality training datasets, and unsatisfactory performance of deep learning methods. The emergence of large scale foundational models(LSFMs) had triggered a wave in the field of artificial intelligence, shifting deep learning models from single-task, single-modal, limited data patterns to a paradigm encompassing diverse tasks, multimodal, and pre-training on massive datasets. Although LSFMs had demonstrated powerful generalization capabilities, automatic high-quality training dataset generation and superior performance across various domains, applications of LSFMs on intelligent manufacturing were still in their nascent stage. A systematic overview of this topic was lacking, especially regarding which challenges of deep learning can be addressed by LSFMs and how these challenges can be systematically tackled. To fill this gap, this paper systematically expounded current statue of LSFMs and their advantages in the context of intelligent manufacturing. and compared comprehensively with the challenges faced by current deep learning models in various intelligent manufacturing applications. We also outlined the roadmaps for utilizing LSFMs to address these challenges. Finally, case studies of applications of LSFMs in real-world intelligent manufacturing scenarios were presented to illustrate how LSFMs could help industries, improve their efficiency.