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Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

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.

Unsupervised domain adaptation has recently emerged as an effective paradigm for generalizing deep neural networks to new target domains. However, there is still enormous potential to be tapped to reach the fully supervised performance. In this paper, we present a novel active learning strategy to assist knowledge transfer in the target domain, dubbed active domain adaptation. We start from an observation that energy-based models exhibit free energy biases when training (source) and test (target) data come from different distributions. Inspired by this inherent mechanism, we empirically reveal that a simple yet efficient energy-based sampling strategy sheds light on selecting the most valuable target samples than existing approaches requiring particular architectures or computation of the distances. Our algorithm, Energy-based Active Domain Adaptation (EADA), queries groups of targe data that incorporate both domain characteristic and instance uncertainty into every selection round. Meanwhile, by aligning the free energy of target data compact around the source domain via a regularization term, domain gap can be implicitly diminished. Through extensive experiments, we show that EADA surpasses state-of-the-art methods on well-known challenging benchmarks with substantial improvements, making it a useful option in the open world. Code is available at //github.com/BIT-DA/EADA.

In the past few decades, artificial intelligence (AI) technology has experienced swift developments, changing everyone's daily life and profoundly altering the course of human society. The intention of developing AI is to benefit humans, by reducing human labor, bringing everyday convenience to human lives, and promoting social good. However, recent research and AI applications show that AI can cause unintentional harm to humans, such as making unreliable decisions in safety-critical scenarios or undermining fairness by inadvertently discriminating against one group. Thus, trustworthy AI has attracted immense attention recently, which requires careful consideration to avoid the adverse effects that AI may bring to humans, so that humans can fully trust and live in harmony with AI technologies. Recent years have witnessed a tremendous amount of research on trustworthy AI. In this survey, we present a comprehensive survey of trustworthy AI from a computational perspective, to help readers understand the latest technologies for achieving trustworthy AI. Trustworthy AI is a large and complex area, involving various dimensions. In this work, we focus on six of the most crucial dimensions in achieving trustworthy AI: (i) Safety & Robustness, (ii) Non-discrimination & Fairness, (iii) Explainability, (iv) Privacy, (v) Accountability & Auditability, and (vi) Environmental Well-Being. For each dimension, we review the recent related technologies according to a taxonomy and summarize their applications in real-world systems. We also discuss the accordant and conflicting interactions among different dimensions and discuss potential aspects for trustworthy AI to investigate in the future.

Federated learning (FL) is an emerging, privacy-preserving machine learning paradigm, drawing tremendous attention in both academia and industry. A unique characteristic of FL is heterogeneity, which resides in the various hardware specifications and dynamic states across the participating devices. Theoretically, heterogeneity can exert a huge influence on the FL training process, e.g., causing a device unavailable for training or unable to upload its model updates. Unfortunately, these impacts have never been systematically studied and quantified in existing FL literature. In this paper, we carry out the first empirical study to characterize the impacts of heterogeneity in FL. We collect large-scale data from 136k smartphones that can faithfully reflect heterogeneity in real-world settings. We also build a heterogeneity-aware FL platform that complies with the standard FL protocol but with heterogeneity in consideration. Based on the data and the platform, we conduct extensive experiments to compare the performance of state-of-the-art FL algorithms under heterogeneity-aware and heterogeneity-unaware settings. Results show that heterogeneity causes non-trivial performance degradation in FL, including up to 9.2% accuracy drop, 2.32x lengthened training time, and undermined fairness. Furthermore, we analyze potential impact factors and find that device failure and participant bias are two potential factors for performance degradation. Our study provides insightful implications for FL practitioners. On the one hand, our findings suggest that FL algorithm designers consider necessary heterogeneity during the evaluation. On the other hand, our findings urge system providers to design specific mechanisms to mitigate the impacts of heterogeneity.

As data are increasingly being stored in different silos and societies becoming more aware of data privacy issues, the traditional centralized training of artificial intelligence (AI) models is facing efficiency and privacy challenges. Recently, federated learning (FL) has emerged as an alternative solution and continue to thrive in this new reality. Existing FL protocol design has been shown to be vulnerable to adversaries within or outside of the system, compromising data privacy and system robustness. Besides training powerful global models, it is of paramount importance to design FL systems that have privacy guarantees and are resistant to different types of adversaries. In this paper, we conduct the first comprehensive survey on this topic. Through a concise introduction to the concept of FL, and a unique taxonomy covering: 1) threat models; 2) poisoning attacks and defenses against robustness; 3) inference attacks and defenses against privacy, we provide an accessible review of this important topic. We highlight the intuitions, key techniques as well as fundamental assumptions adopted by various attacks and defenses. Finally, we discuss promising future research directions towards robust and privacy-preserving federated learning.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

Deep Learning algorithms have achieved the state-of-the-art performance for Image Classification and have been used even in security-critical applications, such as biometric recognition systems and self-driving cars. However, recent works have shown those algorithms, which can even surpass the human capabilities, are vulnerable to adversarial examples. In Computer Vision, adversarial examples are images containing subtle perturbations generated by malicious optimization algorithms in order to fool classifiers. As an attempt to mitigate these vulnerabilities, numerous countermeasures have been constantly proposed in literature. Nevertheless, devising an efficient defense mechanism has proven to be a difficult task, since many approaches have already shown to be ineffective to adaptive attackers. Thus, this self-containing paper aims to provide all readerships with a review of the latest research progress on Adversarial Machine Learning in Image Classification, however with a defender's perspective. Here, novel taxonomies for categorizing adversarial attacks and defenses are introduced and discussions about the existence of adversarial examples are provided. Further, in contrast to exisiting surveys, it is also given relevant guidance that should be taken into consideration by researchers when devising and evaluating defenses. Finally, based on the reviewed literature, it is discussed some promising paths for future research.

This paper addresses the difficulty of forecasting multiple financial time series (TS) conjointly using deep neural networks (DNN). We investigate whether DNN-based models could forecast these TS more efficiently by learning their representation directly. To this end, we make use of the dynamic factor graph (DFG) from that we enhance by proposing a novel variable-length attention-based mechanism to render it memory-augmented. Using this mechanism, we propose an unsupervised DNN architecture for multivariate TS forecasting that allows to learn and take advantage of the relationships between these TS. We test our model on two datasets covering 19 years of investment funds activities. Our experimental results show that our proposed approach outperforms significantly typical DNN-based and statistical models at forecasting their 21-day price trajectory.

Reasoning with knowledge expressed in natural language and Knowledge Bases (KBs) is a major challenge for Artificial Intelligence, with applications in machine reading, dialogue, and question answering. General neural architectures that jointly learn representations and transformations of text are very data-inefficient, and it is hard to analyse their reasoning process. These issues are addressed by end-to-end differentiable reasoning systems such as Neural Theorem Provers (NTPs), although they can only be used with small-scale symbolic KBs. In this paper we first propose Greedy NTPs (GNTPs), an extension to NTPs addressing their complexity and scalability limitations, thus making them applicable to real-world datasets. This result is achieved by dynamically constructing the computation graph of NTPs and including only the most promising proof paths during inference, thus obtaining orders of magnitude more efficient models. Then, we propose a novel approach for jointly reasoning over KBs and textual mentions, by embedding logic facts and natural language sentences in a shared embedding space. We show that GNTPs perform on par with NTPs at a fraction of their cost while achieving competitive link prediction results on large datasets, providing explanations for predictions, and inducing interpretable models. Source code, datasets, and supplementary material are available online at //github.com/uclnlp/gntp.