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Quantum Key Distribution (QKD) is a promising technique for ensuring long-term security in communication systems. Unlike conventional key exchange methods like RSA, which quantum computers could theoretically break [1], QKD offers enhanced security based on quantum mechanics [2]. Despite its maturity and commercial availability, QKD devices often have undisclosed implementations and are tamper-protected. This thesis addresses the practical imperfections of QKD systems, such as low and fluctuating Secret Key Rates (SKR) and unstable performance. By applying theoretical SKR derivations to measurement data from a QKD system in Poland, we gain insights into current system performance and develop machine learning (ML) models to predict system behavior. Our methodologies include creating a theoretical QKD model [2] and implementing ML models using tools like Keras (TensorFlow [3]). Key findings reveal that while theoretical models offer foundational insights, ML models provide superior accuracy in forecasting QKD system performance, adapting to environmental and operational parameters. This thesis highlights the limitations of theoretical models and underscores the practical relevance of ML models for QKD systems. Future research should focus on developing a comprehensive physical layer model capable of doing long-term forcasting of the SKR. Such a model could prevent an encryption system form running out of keys if the SKR drops significantly. In summary, this thesis establishes a foundational approach for using ML models to predict QKD system performance, paving the way for future advancements in SKR long-term predictions.

We explore the cryptographic power of arbitrary shared physical resources. The most general such resource is access to a fresh entangled quantum state at the outset of each protocol execution. We call this the Common Reference Quantum State (CRQS) model, in analogy to the well-known Common Reference String (CRS). The CRQS model is a natural generalization of the CRS model but appears to be more powerful: in the two-party setting, a CRQS can sometimes exhibit properties associated with a Random Oracle queried once by measuring a maximally entangled state in one of many mutually unbiased bases. We formalize this notion as a Weak One-Time Random Oracle (WOTRO), where we only ask of the $m$-bit output to have some randomness when conditioned on the $n$-bit input. We show that when $n-m\in\omega(\lg n)$, any protocol for WOTRO in the CRQS model can be attacked by an (inefficient) adversary. Moreover, our adversary is efficiently simulatable, which rules out the possibility of proving the computational security of a scheme by a fully black-box reduction to a cryptographic game assumption. On the other hand, we introduce a non-game quantum assumption for hash functions that implies WOTRO in the CRQS model (where the CRQS consists only of EPR pairs). We first build a statistically secure WOTRO protocol where $m=n$, then hash the output. The impossibility of WOTRO has the following consequences. First, we show the fully-black-box impossibility of a quantum Fiat-Shamir transform, extending the impossibility result of Bitansky et al. (TCC 2013) to the CRQS model. Second, we show a fully-black-box impossibility result for a strenghtened version of quantum lightning (Zhandry, Eurocrypt 2019) where quantum bolts have an additional parameter that cannot be changed without generating new bolts. Our results also apply to $2$-message protocols in the plain model.

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Chain-of-thought reasoning, a cognitive process fundamental to human intelligence, has garnered significant attention in the realm of artificial intelligence and natural language processing. However, there still remains a lack of a comprehensive survey for this arena. To this end, we take the first step and present a thorough survey of this research field carefully and widely. We use X-of-Thought to refer to Chain-of-Thought in a broad sense. In detail, we systematically organize the current research according to the taxonomies of methods, including XoT construction, XoT structure variants, and enhanced XoT. Additionally, we describe XoT with frontier applications, covering planning, tool use, and distillation. Furthermore, we address challenges and discuss some future directions, including faithfulness, multi-modal, and theory. We hope this survey serves as a valuable resource for researchers seeking to innovate within the domain of chain-of-thought reasoning.

With the prosperity of e-commerce and web applications, Recommender Systems (RecSys) have become an important component of our daily life, providing personalized suggestions that cater to user preferences. While Deep Neural Networks (DNNs) have made significant advancements in enhancing recommender systems by modeling user-item interactions and incorporating textual side information, DNN-based methods still face limitations, such as difficulties in understanding users' interests and capturing textual side information, inabilities in generalizing to various recommendation scenarios and reasoning on their predictions, etc. Meanwhile, the emergence of Large Language Models (LLMs), such as ChatGPT and GPT4, has revolutionized the fields of Natural Language Processing (NLP) and Artificial Intelligence (AI), due to their remarkable abilities in fundamental responsibilities of language understanding and generation, as well as impressive generalization and reasoning capabilities. As a result, recent studies have attempted to harness the power of LLMs to enhance recommender systems. Given the rapid evolution of this research direction in recommender systems, there is a pressing need for a systematic overview that summarizes existing LLM-empowered recommender systems, to provide researchers in relevant fields with an in-depth understanding. Therefore, in this paper, we conduct a comprehensive review of LLM-empowered recommender systems from various aspects including Pre-training, Fine-tuning, and Prompting. More specifically, we first introduce representative methods to harness the power of LLMs (as a feature encoder) for learning representations of users and items. Then, we review recent techniques of LLMs for enhancing recommender systems from three paradigms, namely pre-training, fine-tuning, and prompting. Finally, we comprehensively discuss future directions in this emerging field.

When is heterogeneity in the composition of an autonomous robotic team beneficial and when is it detrimental? We investigate and answer this question in the context of a minimally viable model that examines the role of heterogeneous speeds in perimeter defense problems, where defenders share a total allocated speed budget. We consider two distinct problem settings and develop strategies based on dynamic programming and on local interaction rules. We present a theoretical analysis of both approaches and our results are extensively validated using simulations. Interestingly, our results demonstrate that the viability of heterogeneous teams depends on the amount of information available to the defenders. Moreover, our results suggest a universality property: across a wide range of problem parameters the optimal ratio of the speeds of the defenders remains nearly constant.

Autonomous driving has achieved a significant milestone in research and development over the last decade. There is increasing interest in the field as the deployment of self-operating vehicles on roads promises safer and more ecologically friendly transportation systems. With the rise of computationally powerful artificial intelligence (AI) techniques, autonomous vehicles can sense their environment with high precision, make safe real-time decisions, and operate more reliably without human interventions. However, intelligent decision-making in autonomous cars is not generally understandable by humans in the current state of the art, and such deficiency hinders this technology from being socially acceptable. Hence, aside from making safe real-time decisions, the AI systems of autonomous vehicles also need to explain how these decisions are constructed in order to be regulatory compliant across many jurisdictions. Our study sheds a comprehensive light on developing explainable artificial intelligence (XAI) approaches for autonomous vehicles. In particular, we make the following contributions. First, we provide a thorough overview of the present gaps with respect to explanations in the state-of-the-art autonomous vehicle industry. We then show the taxonomy of explanations and explanation receivers in this field. Thirdly, we propose a framework for an architecture of end-to-end autonomous driving systems and justify the role of XAI in both debugging and regulating such systems. Finally, as future research directions, we provide a field guide on XAI approaches for autonomous driving that can improve operational safety and transparency towards achieving public approval by regulators, manufacturers, and all engaged stakeholders.

Australia is a leading AI nation with strong allies and partnerships. Australia has prioritised robotics, AI, and autonomous systems to develop sovereign capability for the military. Australia commits to Article 36 reviews of all new means and methods of warfare to ensure weapons and weapons systems are operated within acceptable systems of control. Additionally, Australia has undergone significant reviews of the risks of AI to human rights and within intelligence organisations and has committed to producing ethics guidelines and frameworks in Security and Defence. Australia is committed to OECD's values-based principles for the responsible stewardship of trustworthy AI as well as adopting a set of National AI ethics principles. While Australia has not adopted an AI governance framework specifically for Defence; Defence Science has published 'A Method for Ethical AI in Defence' (MEAID) technical report which includes a framework and pragmatic tools for managing ethical and legal risks for military applications of AI.

Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.

Commonsense knowledge and commonsense reasoning are some of the main bottlenecks in machine intelligence. In the NLP community, many benchmark datasets and tasks have been created to address commonsense reasoning for language understanding. These tasks are designed to assess machines' ability to acquire and learn commonsense knowledge in order to reason and understand natural language text. As these tasks become instrumental and a driving force for commonsense research, this paper aims to provide an overview of existing tasks and benchmarks, knowledge resources, and learning and inference approaches toward commonsense reasoning for natural language understanding. Through this, our goal is to support a better understanding of the state of the art, its limitations, and future challenges.