Uncertainty quantification of neural networks is critical to measuring the reliability and robustness of deep learning systems. However, this often involves costly or inaccurate sampling methods and approximations. This paper presents a sample-free moment propagation technique that propagates mean vectors and covariance matrices across a network to accurately characterize the input-output distributions of neural networks. A key enabler of our technique is an analytic solution for the covariance of random variables passed through nonlinear activation functions, such as Heaviside, ReLU, and GELU. The wide applicability and merits of the proposed technique are shown in experiments analyzing the input-output distributions of trained neural networks and training Bayesian neural networks.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

With the advancements of artificial intelligence (AI), we're seeing more scenarios that require AI to work closely with other agents, whose goals and strategies might not be known beforehand. However, existing approaches for training collaborative agents often require defined and known reward signals and cannot address the problem of teaming with unknown agents that often have latent objectives/rewards. In response to this challenge, we propose teaming with unknown agents framework, which leverages kernel density Bayesian inverse learning method for active goal deduction and utilizes pre-trained, goal-conditioned policies to enable zero-shot policy adaptation. We prove that unbiased reward estimates in our framework are sufficient for optimal teaming with unknown agents. We further evaluate the framework of redesigned multi-agent particle and StarCraft II micromanagement environments with diverse unknown agents of different behaviors/rewards. Empirical results demonstrate that our framework significantly advances the teaming performance of AI and unknown agents in a wide range of collaborative scenarios.

We endeavour to estimate numerous multi-dimensional means of various probability distributions on a common space based on independent samples. Our approach involves forming estimators through convex combinations of empirical means derived from these samples. We introduce two strategies to find appropriate data-dependent convex combination weights: a first one employing a testing procedure to identify neighbouring means with low variance, which results in a closed-form plug-in formula for the weights, and a second one determining weights via minimization of an upper confidence bound on the quadratic risk.Through theoretical analysis, we evaluate the improvement in quadratic risk offered by our methods compared to the empirical means. Our analysis focuses on a dimensional asymptotics perspective, showing that our methods asymptotically approach an oracle (minimax) improvement as the effective dimension of the data increases.We demonstrate the efficacy of our methods in estimating multiple kernel mean embeddings through experiments on both simulated and real-world datasets.

Diabetes, a pervasive and enduring health challenge, imposes significant global implications on health, financial healthcare systems, and societal well-being. This study undertakes a comprehensive exploration of various structural learning algorithms to discern causal pathways amongst potential risk factors influencing diabetes progression. The methodology involves the application of these algorithms to relevant diabetes data, followed by the conversion of their output graphs into Causal Bayesian Networks (CBNs), enabling predictive analysis and the evaluation of discrepancies in the effect of hypothetical interventions within our context-specific case study. This study highlights the substantial impact of algorithm selection on intervention outcomes. To consolidate insights from diverse algorithms, we employ a model-averaging technique that helps us obtain a unique causal model for diabetes derived from a varied set of structural learning algorithms. We also investigate how each of those individual graphs, as well as the average graph, compare to the structures elicited by a domain expert who categorised graph edges into high confidence, moderate, and low confidence types, leading into three individual graphs corresponding to the three levels of confidence. The resulting causal model and data are made available online, and serve as a valuable resource and a guide for informed decision-making by healthcare practitioners, offering a comprehensive understanding of the interactions between relevant risk factors and the effect of hypothetical interventions. Therefore, this research not only contributes to the academic discussion on diabetes, but also provides practical guidance for healthcare professionals in developing efficient intervention and risk management strategies.

Artificial intelligence has recently experienced remarkable advances, fueled by large models, vast datasets, accelerated hardware, and, last but not least, the transformative power of differentiable programming. This new programming paradigm enables end-to-end differentiation of complex computer programs (including those with control flows and data structures), making gradient-based optimization of program parameters possible. As an emerging paradigm, differentiable programming builds upon several areas of computer science and applied mathematics, including automatic differentiation, graphical models, optimization and statistics. This book presents a comprehensive review of the fundamental concepts useful for differentiable programming. We adopt two main perspectives, that of optimization and that of probability, with clear analogies between the two. Differentiable programming is not merely the differentiation of programs, but also the thoughtful design of programs intended for differentiation. By making programs differentiable, we inherently introduce probability distributions over their execution, providing a means to quantify the uncertainty associated with program outputs.

Bayesian approaches for training deep neural networks (BNNs) have received significant interest and have been effectively utilized in a wide range of applications. There have been several studies on the properties of posterior concentrations of BNNs. However, most of these studies only demonstrate results in BNN models with sparse or heavy-tailed priors. Surprisingly, no theoretical results currently exist for BNNs using Gaussian priors, which are the most commonly used one. The lack of theory arises from the absence of approximation results of Deep Neural Networks (DNNs) that are non-sparse and have bounded parameters. In this paper, we present a new approximation theory for non-sparse DNNs with bounded parameters. Additionally, based on the approximation theory, we show that BNNs with non-sparse general priors can achieve near-minimax optimal posterior concentration rates to the true model.

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

Rankings are a type of preference elicitation that arise in experiments where assessors arrange items, for example, in decreasing order of utility. Orderings of n items labelled {1,...,n} denoted are permutations that reflect strict preferences. For a number of reasons, strict preferences can be unrealistic assumptions for real data. For example, when items share common traits it may be reasonable to attribute them equal ranks. Also, there can be different importance attributions to decisions that form the ranking. In a situation with, for example, a large number of items, an assessor may wish to rank at top a certain number items; to rank other items at the bottom and to express indifference to all others. In addition, when aggregating opinions, a judging body might be decisive about some parts of the rank but ambiguous for others. In this paper we extend the well-known Mallows (Mallows, 1957) model (MM) to accommodate item indifference, a phenomenon that can be in place for a variety of reasons, such as those above mentioned.The underlying grouping of similar items motivates the proposed Clustered Mallows Model (CMM). The CMM can be interpreted as a Mallows distribution for tied ranks where ties are learned from the data. The CMM provides the flexibility to combine strict and indifferent relations, achieving a simpler and robust representation of rank collections in the form of ordered clusters. Bayesian inference for the CMM is in the class of doubly-intractable problems since the model's normalisation constant is not available in closed form. We overcome this challenge by sampling from the posterior with a version of the exchange algorithm \citep{murray2006}. Real data analysis of food preferences and results of Formula 1 races are presented, illustrating the CMM in practical situations.

Prior parameter distributions provide an elegant way to represent prior expert and world knowledge for informed learning. Previous work has shown that using such informative priors to regularize probabilistic deep learning (DL) models increases their performance and data-efficiency. However, commonly used sampling-based approximations for probabilistic DL models can be computationally expensive, requiring multiple inference passes and longer training times. Promising alternatives are compute-efficient last layer kernel approximations like spectral normalized Gaussian processes (SNGPs). We propose a novel regularization-based continual learning method for SNGPs, which enables the use of informative priors that represent prior knowledge learned from previous tasks. Our proposal builds upon well-established methods and requires no rehearsal memory or parameter expansion. We apply our informed SNGP model to the trajectory prediction problem in autonomous driving by integrating prior drivability knowledge. On two public datasets, we investigate its performance under diminishing training data and across locations, and thereby demonstrate an increase in data-efficiency and robustness to location-transfers over non-informed and informed baselines.