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Causal inference plays a vital role in diverse domains like epidemiology, healthcare, and economics. De-confounding and counterfactual prediction in observational data has emerged as a prominent concern in causal inference research. While existing models tackle observed confounders, the presence of unobserved confounders remains a significant challenge, distorting causal inference and impacting counterfactual outcome accuracy. To address this, we propose a novel variational learning model of unobserved confounders for counterfactual inference (VLUCI), which generates the posterior distribution of unobserved confounders. VLUCI relaxes the unconfoundedness assumption often overlooked by most causal inference methods. By disentangling observed and unobserved confounders, VLUCI constructs a doubly variational inference model to approximate the distribution of unobserved confounders, which are used for inferring more accurate counterfactual outcomes. Extensive experiments on synthetic and semi-synthetic datasets demonstrate VLUCI's superior performance in inferring unobserved confounders. It is compatible with state-of-the-art counterfactual inference models, significantly improving inference accuracy at both group and individual levels. Additionally, VLUCI provides confidence intervals for counterfactual outcomes, aiding decision-making in risk-sensitive domains. We further clarify the considerations when applying VLUCI to cases where unobserved confounders don't strictly conform to our model assumptions using the public IHDP dataset as an example, highlighting the practical advantages of VLUCI.

Quantitative Transmission Electron Microscopy (TEM) during in-situ straining experiment is able to reveal the motion of dislocations -- linear defects in the crystal lattice of metals. In the domain of materials science, the knowledge about the location and movement of dislocations is important for creating novel materials with superior properties. A long-standing problem, however, is to identify the position and extract the shape of dislocations, which would ultimately help to create a digital twin of such materials. In this work, we quantitatively compare state-of-the-art instance segmentation methods, including Mask R-CNN and YOLOv8. The dislocation masks as the results of the instance segmentation are converted to mathematical lines, enabling quantitative analysis of dislocation length and geometry -- important information for the domain scientist, which we then propose to include as a novel length-aware quality metric for estimating the network performance. Our segmentation pipeline shows a high accuracy suitable for all domain-specific, further post-processing. Additionally, our physics-based metric turns out to perform much more consistently than typically used pixel-wise metrics.

Evaluating artificial systems for signs of consciousness is increasingly becoming a pressing concern, and a rigorous psychometric measurement framework may be of crucial importance in evaluating large language models in this regard. Most prominent theories of consciousness, both scientific and metaphysical, argue for different kinds of information coupling as a necessary component of human-like consciousness. By comparing information coupling in human and animal brains, human cognitive development, emergent abilities, and mental representation development to analogous phenomena in large language models, I argue that psychometric measures of intelligence, such as the g-factor or IQ, indirectly approximate the extent of conscious experience. Based on a broader source of both scientific and metaphysical theories of consciousness, I argue that all systems possess a degree of consciousness ascertainable psychometrically and that psychometric measures of intelligence may be used to gauge relative similarities of conscious experiences across disparate systems, be they artificial or human.

We study automated intrusion response for an IT infrastructure and formulate the interaction between an attacker and a defender as a partially observed stochastic game. To solve the game we follow an approach where attack and defense strategies co-evolve through reinforcement learning and self-play toward an equilibrium. Solutions proposed in previous work prove the feasibility of this approach for small infrastructures but do not scale to realistic scenarios due to the exponential growth in computational complexity with the infrastructure size. We address this problem by introducing a method that recursively decomposes the game into subgames which can be solved in parallel. Applying optimal stopping theory we show that the best response strategies in these subgames exhibit threshold structures, which allows us to compute them efficiently. To solve the decomposed game we introduce an algorithm called Decompositional Fictitious Self-Play (DFSP), which learns Nash equilibria through stochastic approximation. We evaluate the learned strategies in an emulation environment where real intrusions and response actions can be executed. The results show that the learned strategies approximate an equilibrium and that DFSP significantly outperforms a state-of-the-art algorithm for a realistic infrastructure configuration.

Recent work demonstrated the existence of Boolean functions for which Shapley values provide misleading information about the relative importance of features in rule-based explanations. Such misleading information was broadly categorized into a number of possible issues. Each of those issues relates with features being relevant or irrelevant for a prediction, and all are significant regarding the inadequacy of Shapley values for rule-based explainability. This earlier work devised a brute-force approach to identify Boolean functions, defined on small numbers of features, and also associated instances, which displayed such inadequacy-revealing issues, and so served as evidence to the inadequacy of Shapley values for rule-based explainability. However, an outstanding question is how frequently such inadequacy-revealing issues can occur for Boolean functions with arbitrary large numbers of features. It is plain that a brute-force approach would be unlikely to provide insights on how to tackle this question. This paper answers the above question by proving that, for any number of features, there exist Boolean functions that exhibit one or more inadequacy-revealing issues, thereby contributing decisive arguments against the use of Shapley values as the theoretical underpinning of feature-attribution methods in explainability.

Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.

What is learned by sophisticated neural network agents such as AlphaZero? This question is of both scientific and practical interest. If the representations of strong neural networks bear no resemblance to human concepts, our ability to understand faithful explanations of their decisions will be restricted, ultimately limiting what we can achieve with neural network interpretability. In this work we provide evidence that human knowledge is acquired by the AlphaZero neural network as it trains on the game of chess. By probing for a broad range of human chess concepts we show when and where these concepts are represented in the AlphaZero network. We also provide a behavioural analysis focusing on opening play, including qualitative analysis from chess Grandmaster Vladimir Kramnik. Finally, we carry out a preliminary investigation looking at the low-level details of AlphaZero's representations, and make the resulting behavioural and representational analyses available online.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

We propose a novel approach to multimodal sentiment analysis using deep neural networks combining visual analysis and natural language processing. Our goal is different than the standard sentiment analysis goal of predicting whether a sentence expresses positive or negative sentiment; instead, we aim to infer the latent emotional state of the user. Thus, we focus on predicting the emotion word tags attached by users to their Tumblr posts, treating these as "self-reported emotions." We demonstrate that our multimodal model combining both text and image features outperforms separate models based solely on either images or text. Our model's results are interpretable, automatically yielding sensible word lists associated with emotions. We explore the structure of emotions implied by our model and compare it to what has been posited in the psychology literature, and validate our model on a set of images that have been used in psychology studies. Finally, our work also provides a useful tool for the growing academic study of images - both photographs and memes - on social networks.