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Bayesian Neural Networks (BNNs) provide a probabilistic interpretation for deep learning models by imposing a prior distribution over model parameters and inferring a posterior distribution based on observed data. The model sampled from the posterior distribution can be used for providing ensemble predictions and quantifying prediction uncertainty. It is well-known that deep learning models with lower sharpness have better generalization ability. However, existing posterior inferences are not aware of sharpness/flatness in terms of formulation, possibly leading to high sharpness for the models sampled from them. In this paper, we develop theories, the Bayesian setting, and the variational inference approach for the sharpness-aware posterior. Specifically, the models sampled from our sharpness-aware posterior, and the optimal approximate posterior estimating this sharpness-aware posterior, have better flatness, hence possibly possessing higher generalization ability. We conduct experiments by leveraging the sharpness-aware posterior with state-of-the-art Bayesian Neural Networks, showing that the flat-seeking counterparts outperform their baselines in all metrics of interest.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely $f(f(z))=f(z)$. The proposed model $f$ is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely $f(x)=x$. We define the target manifold as the set of all instances that $f$ maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, $f(f(z))=f(z)$ which encourages the range of $f(z)$ to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Formal methods refer to rigorous, mathematical approaches to system development and have played a key role in establishing the correctness of safety-critical systems. The main building blocks of formal methods are models and specifications, which are analogous to behaviors and requirements in system design and give us the means to verify and synthesize system behaviors with formal guarantees. This monograph provides a survey of the current state of the art on applications of formal methods in the autonomous systems domain. We consider correct-by-construction synthesis under various formulations, including closed systems, reactive, and probabilistic settings. Beyond synthesizing systems in known environments, we address the concept of uncertainty and bound the behavior of systems that employ learning using formal methods. Further, we examine the synthesis of systems with monitoring, a mitigation technique for ensuring that once a system deviates from expected behavior, it knows a way of returning to normalcy. We also show how to overcome some limitations of formal methods themselves with learning. We conclude with future directions for formal methods in reinforcement learning, uncertainty, privacy, explainability of formal methods, and regulation and certification.

We develop a general theory to optimize the frequentist regret for sequential learning problems, where efficient bandit and reinforcement learning algorithms can be derived from unified Bayesian principles. We propose a novel optimization approach to generate "algorithmic beliefs" at each round, and use Bayesian posteriors to make decisions. The optimization objective to create "algorithmic beliefs," which we term "Algorithmic Information Ratio," represents an intrinsic complexity measure that effectively characterizes the frequentist regret of any algorithm. To the best of our knowledge, this is the first systematical approach to make Bayesian-type algorithms prior-free and applicable to adversarial settings, in a generic and optimal manner. Moreover, the algorithms are simple and often efficient to implement. As a major application, we present a novel algorithm for multi-armed bandits that achieves the "best-of-all-worlds" empirical performance in the stochastic, adversarial, and non-stationary environments. And we illustrate how these principles can be used in linear bandits, bandit convex optimization, and reinforcement learning.

Shapley values have emerged as a widely accepted and trustworthy tool, grounded in theoretical axioms, for addressing challenges posed by black-box models like deep neural networks. However, computing Shapley values encounters exponential complexity in the number of features. Various approaches, including ApproSemivalue, KernelSHAP, and FastSHAP, have been explored to expedite the computation. We analyze the consistency of existing works and conclude that stochastic estimators can be unified as the linear transformation of importance sampling of feature subsets. Based on this, we investigate the possibility of designing simple amortized estimators and propose a straightforward and efficient one, SimSHAP, by eliminating redundant techniques. Extensive experiments conducted on tabular and image datasets validate the effectiveness of our SimSHAP, which significantly accelerates the computation of accurate Shapley values.

To characterize the complex higher-order interactions among variables within a system, this study introduces a novel framework, termed System Information Decomposition (SID), aimed at decomposing the information entropy of variables into information atoms based on their interrelations. Diverging from the established Partial Information Decomposition (PID) framework, which predominantly concentrates on the directional interactions stemming from an array of source variables to a single target variable, SID adopts a holistic approach, scrutinizing the interactions across all variables within the system. Specifically, we proved all the information atoms are symmetric, which means the disentanglement of unique, redundant, and synergistic information from any specific target variable. Hence, our proposed SID framework can capture the symmetric pairwise and higher-order relationships among variables. This advance positions SID as a promising framework with the potential to foster a deeper understanding of higher-order relationships within complex systems across disciplines.

Finding optimal adversarial attack strategies is an important topic in reinforcement learning and the Markov decision process. Previous studies usually assume one all-knowing coordinator (attacker) for whom attacking different recipient (victim) agents incurs uniform costs. However, in reality, instead of using one limitless central attacker, the attacks often need to be performed by distributed attack agents. We formulate the problem of performing optimal adversarial agent-to-agent attacks using distributed attack agents, in which we impose distinct cost constraints on each different attacker-victim pair. We propose an optimal method integrating within-step static constrained attack-resource allocation optimization and between-step dynamic programming to achieve the optimal adversarial attack in a multi-agent system. Our numerical results show that the proposed attacks can significantly reduce the rewards received by the attacked agents.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.

We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.