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Subgraph representation learning is a technique for analyzing local structures (or shapes) within complex networks. Enabled by recent developments in scalable Graph Neural Networks (GNNs), this approach encodes relational information at a subgroup level (multiple connected nodes) rather than at a node level of abstraction. We posit that certain domain applications, such as anti-money laundering (AML), are inherently subgraph problems and mainstream graph techniques have been operating at a suboptimal level of abstraction. This is due in part to the scarcity of annotated datasets of real-world size and complexity, as well as the lack of software tools for managing subgraph GNN workflows at scale. To enable work in fundamental algorithms as well as domain applications in AML and beyond, we introduce Elliptic2, a large graph dataset containing 122K labeled subgraphs of Bitcoin clusters within a background graph consisting of 49M node clusters and 196M edge transactions. The dataset provides subgraphs known to be linked to illicit activity for learning the set of "shapes" that money laundering exhibits in cryptocurrency and accurately classifying new criminal activity. Along with the dataset we share our graph techniques, software tooling, promising early experimental results, and new domain insights already gleaned from this approach. Taken together, we find immediate practical value in this approach and the potential for a new standard in anti-money laundering and forensic analytics in cryptocurrencies and other financial networks.

While recent advances in deep learning have demonstrated its transformative potential, its adoption for real-world manufacturing applications remains limited. We present an Explanation User Interface (XUI) for a state-of-the-art deep learning-based robot program optimizer which provides both naive and expert users with different user experiences depending on their skill level, as well as Explainable AI (XAI) features to facilitate the application of deep learning methods in real-world applications. To evaluate the impact of the XUI on task performance, user satisfaction and cognitive load, we present the results of a preliminary user survey and propose a study design for a large-scale follow-up study.

Self-supervised learning (SSL) has developed rapidly in recent years. However, most of the mainstream methods are computationally expensive and rely on two (or more) augmentations for each image to construct positive pairs. Moreover, they mainly focus on large models and large-scale datasets, which lack flexibility and feasibility in many practical applications. In this paper, we propose an efficient single-branch SSL method based on non-parametric instance discrimination, aiming to improve the algorithm, model, and data efficiency of SSL. By analyzing the gradient formula, we correct the update rule of the memory bank with improved performance. We further propose a novel self-distillation loss that minimizes the KL divergence between the probability distribution and its square root version. We show that this alleviates the infrequent updating problem in instance discrimination and greatly accelerates convergence. We systematically compare the training overhead and performance of different methods in different scales of data, and under different backbones. Experimental results show that our method outperforms various baselines with significantly less overhead, and is especially effective for limited amounts of data and small models.

Large neural networks trained on large datasets have become the dominant paradigm in machine learning. These systems rely on maximum likelihood point estimates of their parameters, precluding them from expressing model uncertainty. This may result in overconfident predictions and it prevents the use of deep learning models for sequential decision making. This thesis develops scalable methods to equip neural networks with model uncertainty. In particular, we leverage the linearised Laplace approximation to equip pre-trained neural networks with the uncertainty estimates provided by their tangent linear models. This turns the problem of Bayesian inference in neural networks into one of Bayesian inference in conjugate Gaussian-linear models. Alas, the cost of this remains cubic in either the number of network parameters or in the number of observations times output dimensions. By assumption, neither are tractable. We address this intractability by using stochastic gradient descent (SGD) -- the workhorse algorithm of deep learning -- to perform posterior sampling in linear models and their convex duals: Gaussian processes. With this, we turn back to linearised neural networks, finding the linearised Laplace approximation to present a number of incompatibilities with modern deep learning practices -- namely, stochastic optimisation, early stopping and normalisation layers -- when used for hyperparameter learning. We resolve these and construct a sample-based EM algorithm for scalable hyperparameter learning with linearised neural networks. We apply the above methods to perform linearised neural network inference with ResNet-50 (25M parameters) trained on Imagenet (1.2M observations and 1000 output dimensions). Additionally, we apply our methods to estimate uncertainty for 3d tomographic reconstructions obtained with the deep image prior network.

We study the choice of action space in robot manipulation learning and sim-to-real transfer. We define metrics that assess the performance, and examine the emerging properties in the different action spaces. We train over 250 reinforcement learning~(RL) agents in simulated reaching and pushing tasks, using 13 different control spaces. The choice of spaces spans combinations of common action space design characteristics. We evaluate the training performance in simulation and the transfer to a real-world environment. We identify good and bad characteristics of robotic action spaces and make recommendations for future designs. Our findings have important implications for the design of RL algorithms for robot manipulation tasks, and highlight the need for careful consideration of action spaces when training and transferring RL agents for real-world robotics.

There has been a growing interest in developing learner models to enhance learning and teaching experiences in educational environments. However, existing works have primarily focused on structured environments relying on meticulously crafted representations of tasks, thereby limiting the agent's ability to generalize skills across tasks. In this paper, we aim to enhance the generalization capabilities of agents in open-ended text-based learning environments by integrating Reinforcement Learning (RL) with Large Language Models (LLMs). We investigate three types of agents: (i) RL-based agents that utilize natural language for state and action representations to find the best interaction strategy, (ii) LLM-based agents that leverage the model's general knowledge and reasoning through prompting, and (iii) hybrid LLM-assisted RL agents that combine these two strategies to improve agents' performance and generalization. To support the development and evaluation of these agents, we introduce PharmaSimText, a novel benchmark derived from the PharmaSim virtual pharmacy environment designed for practicing diagnostic conversations. Our results show that RL-based agents excel in task completion but lack in asking quality diagnostic questions. In contrast, LLM-based agents perform better in asking diagnostic questions but fall short of completing the task. Finally, hybrid LLM-assisted RL agents enable us to overcome these limitations, highlighting the potential of combining RL and LLMs to develop high-performing agents for open-ended learning environments.

In contrast to batch learning where all training data is available at once, continual learning represents a family of methods that accumulate knowledge and learn continuously with data available in sequential order. Similar to the human learning process with the ability of learning, fusing, and accumulating new knowledge coming at different time steps, continual learning is considered to have high practical significance. Hence, continual learning has been studied in various artificial intelligence tasks. In this paper, we present a comprehensive review of the recent progress of continual learning in computer vision. In particular, the works are grouped by their representative techniques, including regularization, knowledge distillation, memory, generative replay, parameter isolation, and a combination of the above techniques. For each category of these techniques, both its characteristics and applications in computer vision are presented. At the end of this overview, several subareas, where continuous knowledge accumulation is potentially helpful while continual learning has not been well studied, are discussed.

Despite its great success, machine learning can have its limits when dealing with insufficient training data. A potential solution is the additional integration of prior knowledge into the training process which leads to the notion of informed machine learning. In this paper, we present a structured overview of various approaches in this field. We provide a definition and propose a concept for informed machine learning which illustrates its building blocks and distinguishes it from conventional machine learning. We introduce a taxonomy that serves as a classification framework for informed machine learning approaches. It considers the source of knowledge, its representation, and its integration into the machine learning pipeline. Based on this taxonomy, we survey related research and describe how different knowledge representations such as algebraic equations, logic rules, or simulation results can be used in learning systems. This evaluation of numerous papers on the basis of our taxonomy uncovers key methods in the field of informed machine learning.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.