In optoelectronics, designing free-form metasurfaces presents significant challenges, particularly in achieving high electromagnetic response fidelity due to the complex relationship between physical structures and electromagnetic behaviors. A key difficulty arises from the one-to-many mapping dilemma, where multiple distinct physical structures can yield similar electromagnetic responses, complicating the design process. This paper introduces a novel generative framework, the Anchor-controlled Generative Adversarial Network (AcGAN), which prioritizes electromagnetic fidelity while effectively navigating the one-to-many challenge to create structurally diverse metasurfaces. Unlike existing methods that mainly replicate physical appearances, AcGAN excels in generating a variety of structures that, despite their differences in physical attributes, exhibit similar electromagnetic responses, thereby accommodating fabrication constraints and tolerances. We introduce the Spectral Overlap Coefficient (SOC) as a precise metric to measure the spectral fidelity between generated designs and their targets. Additionally, a cluster-guided controller refines input processing, ensuring multi-level spectral integration and enhancing electromagnetic fidelity. The integration of AnchorNet into our loss function facilitates a nuanced assessment of electromagnetic qualities, supported by a dynamic loss weighting strategy that optimizes spectral alignment. Collectively, these innovations represent a transformative stride in metasurface inverse design, advancing electromagnetic response-oriented engineering and overcoming the complexities of the one-to-many mapping dilemma.Empirical evidence underscores AcGAN's effectiveness in streamlining the design process, achieving superior electromagnetic precision, and fostering a broad spectrum of design possibilities.

This thesis investigates three areas targeted at improving the reliability of machine learning; fairness in machine learning, strategic classification, and algorithmic robustness. Each of these domains has special properties or structure that can complicate learning. A theme throughout this thesis is thinking about ways in which a'plain' empirical risk minimization algorithm will be misleading or ineffective because of a mis-match between classical learning theory assumptions and specific properties of some data distribution in the wild. The overarching research goal for these related topics is to provide a crisp mathematical model for each learning scenario that exposes different failure modes and makes trade-offs between important metrics explicit in order to provide algorithmic advice or recommendations to practitioners and expose gaps for future research. By tuning our learning algorithms to be more distribution specific in these scenarios, the resulting learned system will exhibit higher utility and avoid catastrophic failure modes. This research is grounded in the theory of machine learning and is fundamentally mathematical in nature, with empirical support when appropriate. Theory is particularly important in these sensitive domains as it is unclear which poor behavior in deployed systems is a natural or benign consequence of a learning system with the underlying distribution,contrasting with problematic but correctable behavior caused by an error in algorithm design or implementation, how to mitigate these issues, or what a successful outcome even looks like in each problem. Theoretical understanding in each domain can help guide best practices and allow for the design of effective, reliable, and robust systems.

Bilevel optimization has witnessed a resurgence of interest, driven by its critical role in trustworthy and efficient machine learning applications. Recent research has focused on proposing efficient methods with provable convergence guarantees. However, while many prior works have established convergence to stationary points or local minima, obtaining the global optimum of bilevel optimization remains an important yet open problem. The difficulty lies in the fact that unlike many prior non-convex single-level problems, this bilevel problem does not admit a ``benign" landscape, and may indeed have multiple spurious local solutions. Nevertheless, attaining the global optimality is indispensable for ensuring reliability, safety, and cost-effectiveness, particularly in high-stakes engineering applications that rely on bilevel optimization. In this paper, we first explore the challenges of establishing a global convergence theory for bilevel optimization, and present two sufficient conditions for global convergence. We provide algorithm-specific proofs to rigorously substantiate these sufficient conditions along the optimization trajectory, focusing on two specific bilevel learning scenarios: representation learning and data hypercleaning (a.k.a. reweighting). Experiments corroborate the theoretical findings, demonstrating convergence to global minimum in both cases.

Short-Term Electricity-Load Forecasting (STELF) refers to the prediction of the immediate demand (in the next few hours to several days) for the power system. Various external factors, such as weather changes and the emergence of new electricity consumption scenarios, can impact electricity demand, causing load data to fluctuate and become non-linear, which increases the complexity and difficulty of STELF. In the past decade, deep learning has been applied to STELF, modeling and predicting electricity demand with high accuracy, and contributing significantly to the development of STELF. This paper provides a comprehensive survey on deep-learning-based STELF over the past ten years. It examines the entire forecasting process, including data pre-processing, feature extraction, deep-learning modeling and optimization, and results evaluation. This paper also identifies some research challenges and potential research directions to be further investigated in future work.

Generative Bayesian Computation (GBC) methods are developed to provide an efficient computational solution for maximum expected utility (MEU). We propose a density-free generative method based on quantiles that naturally calculates expected utility as a marginal of quantiles. Our approach uses a deep quantile neural estimator to directly estimate distributional utilities. Generative methods assume only the ability to simulate from the model and parameters and as such are likelihood-free. A large training dataset is generated from parameters and output together with a base distribution. Our method a number of computational advantages primarily being density-free with an efficient estimator of expected utility. A link with the dual theory of expected utility and risk taking is also discussed. To illustrate our methodology, we solve an optimal portfolio allocation problem with Bayesian learning and a power utility (a.k.a. fractional Kelly criterion). Finally, we conclude with directions for future research.

This paper introduces a group of novel datasets representing real-time time-series and streaming data of energy prices in New Zealand, sourced from the Electricity Market Information (EMI) website maintained by the New Zealand government. The datasets are intended to address the scarcity of proper datasets for streaming regression learning tasks. We conduct extensive analyses and experiments on these datasets, covering preprocessing techniques, regression tasks, prediction intervals, concept drift detection, and anomaly detection. Our experiments demonstrate the datasets' utility and highlight the challenges and opportunities for future research in energy price forecasting.

Wind flow can be highly unpredictable and can suffer substantial fluctuations in speed and direction due to the shape and height of hills, mountains, and valleys, making accurate wind speed (WS) forecasting essential in complex terrain. This paper presents a novel and adaptive model for short-term forecasting of WS. The paper's key contributions are as follows: (a) The Partial Auto Correlation Function (PACF) is utilised to minimise the dimension of the set of Intrinsic Mode Functions (IMF), hence reducing training time; (b) The sample entropy (SampEn) was used to calculate the complexity of the reduced set of IMFs. The proposed technique is adaptive since a specific Deep Learning (DL) model-feature combination was chosen based on complexity; (c) A novel bidirectional feature-LSTM framework for complicated IMFs has been suggested, resulting in improved forecasting accuracy; (d) The proposed model shows superior forecasting performance compared to the persistence, hybrid, Ensemble empirical mode decomposition (EEMD), and Variational Mode Decomposition (VMD)-based deep learning models. It has achieved the lowest variance in terms of forecasting accuracy between simple and complex terrain conditions 0.70%. Dimension reduction of IMF's and complexity-based model-feature selection helps reduce the training time by 68.77% and improve forecasting quality by 58.58% on average.

What techniques can be used to verify compliance with international agreements about advanced AI development? In this paper, we examine 10 verification methods that could detect two types of potential violations: unauthorized AI training (e.g., training runs above a certain FLOP threshold) and unauthorized data centers. We divide the verification methods into three categories: (a) national technical means (methods requiring minimal or no access from suspected non-compliant nations), (b) access-dependent methods (methods that require approval from the nation suspected of unauthorized activities), and (c) hardware-dependent methods (methods that require rules around advanced hardware). For each verification method, we provide a description, historical precedents, and possible evasion techniques. We conclude by offering recommendations for future work related to the verification and enforcement of international AI governance agreements.

More refined resource management and Quality of Service (QoS) provisioning is a critical goal of wireless communication technologies. In this paper, we propose a novel Business-Centric Network (BCN) aimed at enabling scalable QoS provisioning, based on a cross-layer framework that captures the relationship between application, transport parameters, and channels. We investigate both continuous flow and event-driven flow models, presenting key QoS metrics such as throughput, delay, and reliability. By jointly considering power and bandwidth allocation, transmission parameters, and AP network topology across layers, we optimize weighted resource efficiency with statistical QoS provisioning. To address the coupling among parameters, we propose a novel deep reinforcement learning (DRL) framework, which is Collaborative Optimization among Heterogeneous Actors with Experience Sharing (COHA-ES). Power and sub-channel (SC) Actors representing multiple APs are jointly optimized under the unified guidance of a common critic. Additionally, we introduce a novel multithreaded experience-sharing mechanism to accelerate training and enhance rewards. Extensive comparative experiments validate the effectiveness of our DRL framework in terms of convergence and efficiency. Moreover, comparative analyses demonstrate the comprehensive advantages of the BCN structure in enhancing both spectral and energy efficiency.

The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in generating even the simplest ordered crystalline structures. The problem is attributed to particles being trapped in local minima during the score-driven simulated annealing of the diffusion process, similar to the physical process of force-driven simulated annealing. We develop a solution, the grand canonical diffusion model, which adopts an alternative voxel-based representation with continuous rather than fixed number of particles. The method is applied towards generation of several common crystalline phases as well as the technologically important and challenging problem of grain boundary structures.