A significant hurdle in the noisy intermediate-scale quantum (NISQ) era is identifying functional quantum circuits. These circuits must also adhere to the constraints imposed by current quantum hardware limitations. Variational quantum algorithms (VQAs), a class of quantum-classical optimization algorithms, were developed to address these challenges in the currently available quantum devices. However, the overall performance of VQAs depends on the initialization strategy of the variational circuit, the structure of the circuit (also known as ansatz), and the configuration of the cost function. Focusing on the structure of the circuit, in this thesis, we improve the performance of VQAs by automating the search for an optimal structure for the variational circuits using reinforcement learning (RL). Within the thesis, the optimality of a circuit is determined by evaluating its depth, the overall count of gates and parameters, and its accuracy in solving the given problem. The task of automating the search for optimal quantum circuits is known as quantum architecture search (QAS). The majority of research in QAS is primarily focused on a noiseless scenario. Yet, the impact of noise on the QAS remains inadequately explored. In this thesis, we tackle the issue by introducing a tensor-based quantum circuit encoding, restrictions on environment dynamics to explore the search space of possible circuits efficiently, an episode halting scheme to steer the agent to find shorter circuits, a double deep Q-network (DDQN) with an $\epsilon$-greedy policy for better stability. The numerical experiments on noiseless and noisy quantum hardware show that in dealing with various VQAs, our RL-based QAS outperforms existing QAS. Meanwhile, the methods we propose in the thesis can be readily adapted to address a wide range of other VQAs.

Public transportation systems often suffer from unexpected fluctuations in demand and disruptions, such as mechanical failures and medical emergencies. These fluctuations and disruptions lead to delays and overcrowding, which are detrimental to the passengers' experience and to the overall performance of the transit service. To proactively mitigate such events, many transit agencies station substitute (reserve) vehicles throughout their service areas, which they can dispatch to augment or replace vehicles on routes that suffer overcrowding or disruption. However, determining the optimal locations where substitute vehicles should be stationed is a challenging problem due to the inherent randomness of disruptions and due to the combinatorial nature of selecting locations across a city. In collaboration with the transit agency of Nashville, TN, we address this problem by introducing data-driven statistical and machine-learning models for forecasting disruptions and an effective randomized local-search algorithm for selecting locations where substitute vehicles are to be stationed. Our research demonstrates promising results in proactive disruption management, offering a practical and easily implementable solution for transit agencies to enhance the reliability of their services. Our results resonate beyond mere operational efficiency: by advancing proactive strategies, our approach fosters more resilient and accessible public transportation, contributing to equitable urban mobility and ultimately benefiting the communities that rely on public transportation the most.

Feature selection aims to identify the most pattern-discriminative feature subset. In prior literature, filter (e.g., backward elimination) and embedded (e.g., Lasso) methods have hyperparameters (e.g., top-K, score thresholding) and tie to specific models, thus, hard to generalize; wrapper methods search a feature subset in a huge discrete space and is computationally costly. To transform the way of feature selection, we regard a selected feature subset as a selection decision token sequence and reformulate feature selection as a deep sequential generative learning task that distills feature knowledge and generates decision sequences. Our method includes three steps: (1) We develop a deep variational transformer model over a joint of sequential reconstruction, variational, and performance evaluator losses. Our model can distill feature selection knowledge and learn a continuous embedding space to map feature selection decision sequences into embedding vectors associated with utility scores. (2) We leverage the trained feature subset utility evaluator as a gradient provider to guide the identification of the optimal feature subset embedding;(3) We decode the optimal feature subset embedding to autoregressively generate the best feature selection decision sequence with autostop. Extensive experimental results show this generative perspective is effective and generic, without large discrete search space and expert-specific hyperparameters.

The Quadratic Assignment Problem (QAP) is one of the major domains in the field of evolutionary computation, and more widely in combinatorial optimization. This paper studies the phase transition of the QAP, which can be described as a dramatic change in the problem's computational complexity and satisfiability, within a narrow range of the problem parameters. To approach this phenomenon, we introduce a new QAP-SAT design of the initial problem based on submodularity to capture its difficulty with new features. This decomposition is studied experimentally using branch-and-bound and tabu search solvers. A phase transition parameter is then proposed. The critical parameter of phase transition satisfaction and that of the solving effort are shown to be highly correlated for tabu search, thus allowing the prediction of difficult instances.

Artificial Intelligence for Theorem Proving has given rise to a plethora of benchmarks and methodologies, particularly in Interactive Theorem Proving (ITP). Research in the area is fragmented, with a diverse set of approaches being spread across several ITP systems. This presents a significant challenge to the comparison of methods, which are often complex and difficult to replicate. Addressing this, we present BAIT, a framework for fair and streamlined comparison of learning approaches in ITP. We demonstrate BAIT's capabilities with an in-depth comparison, across several ITP benchmarks, of state-of-the-art architectures applied to the problem of formula embedding. We find that Structure Aware Transformers perform particularly well, improving on techniques associated with the original problem sets. BAIT also allows us to assess the end-to-end proving performance of systems built on interactive environments. This unified perspective reveals a novel end-to-end system that improves on prior work. We also provide a qualitative analysis, illustrating that improved performance is associated with more semantically-aware embeddings. By streamlining the implementation and comparison of Machine Learning algorithms in the ITP context, we anticipate BAIT will be a springboard for future research.

A key challenge in realizing fault-tolerant quantum computers is circuit optimization. Focusing on the most expensive gates in fault-tolerant quantum computation (namely, the T gates), we address the problem of T-count optimization, i.e., minimizing the number of T gates that are needed to implement a given circuit. To achieve this, we develop AlphaTensor-Quantum, a method based on deep reinforcement learning that exploits the relationship between optimizing T-count and tensor decomposition. Unlike existing methods for T-count optimization, AlphaTensor-Quantum can incorporate domain-specific knowledge about quantum computation and leverage gadgets, which significantly reduces the T-count of the optimized circuits. AlphaTensor-Quantum outperforms the existing methods for T-count optimization on a set of arithmetic benchmarks (even when compared without making use of gadgets). Remarkably, it discovers an efficient algorithm akin to Karatsuba's method for multiplication in finite fields. AlphaTensor-Quantum also finds the best human-designed solutions for relevant arithmetic computations used in Shor's algorithm and for quantum chemistry simulation, thus demonstrating it can save hundreds of hours of research by optimizing relevant quantum circuits in a fully automated way.

Ergodic search enables optimal exploration of an information distribution while guaranteeing the asymptotic coverage of the search space. However, current methods typically have exponential computation complexity in the search space dimension and are restricted to Euclidean space. We introduce a computationally efficient ergodic search method. Our contributions are two-fold. First, we develop a kernel-based ergodic metric and generalize it from Euclidean space to Lie groups. We formally prove the proposed metric is consistent with the standard ergodic metric while guaranteeing linear complexity in the search space dimension. Secondly, we derive the first-order optimality condition of the kernel ergodic metric for nonlinear systems, which enables efficient trajectory optimization. Comprehensive numerical benchmarks show that the proposed method is at least two orders of magnitude faster than the state-of-the-art algorithm. Finally, we demonstrate the proposed algorithm with a peg-in-hole insertion task. We formulate the problem as a coverage task in the space of SE(3) and use a 30-second-long human demonstration as the prior distribution for ergodic coverage. Ergodicity guarantees the asymptotic solution of the peg-in-hole problem so long as the solution resides within the prior information distribution, which is seen in the 100\% success rate.

Structured pruning is a promising approach for reducing the inference costs of large vision and language models. By removing carefully chosen structures, e.g., neurons or attention heads, the improvements from this approach can be realized on standard deep learning hardware. In this work, we focus on structured pruning in the one-shot (post-training) setting, which does not require model retraining after pruning. We propose a novel combinatorial optimization framework for this problem, based on a layer-wise reconstruction objective and a careful reformulation that allows for scalable optimization. Moreover, we design a new local combinatorial optimization algorithm, which exploits low-rank updates for efficient local search. Our framework is time and memory-efficient and considerably improves upon state-of-the-art one-shot methods on vision models (e.g., ResNet50, MobileNet) and language models (e.g., OPT-1.3B -- OPT-30B). For language models, e.g., OPT-2.7B, OSSCAR can lead to $125\times$ lower test perplexity on WikiText with $2\times$ inference time speedup in comparison to the state-of-the-art ZipLM approach. Our framework is also $6\times$ -- $8\times$ faster. Notably, our work considers models with tens of billions of parameters, which is up to $100\times$ larger than what has been previously considered in the structured pruning literature.

In the field of Simultaneous Localization and Mapping (SLAM), researchers have always pursued better performance in terms of accuracy and time cost. Traditional algorithms typically rely on fundamental geometric elements in images to establish connections between frames. However, these elements suffer from disadvantages such as uneven distribution and slow extraction. In addition, geometry elements like lines have not been fully utilized in the process of pose estimation. To address these challenges, we propose GFS-VO, a grid-based RGB-D visual odometry algorithm that maximizes the utilization of both point and line features. Our algorithm incorporates fast line extraction and a stable line homogenization scheme to improve feature processing. To fully leverage hidden elements in the scene, we introduce Manhattan Axes (MA) to provide constraints between local map and current frame. Additionally, we have designed an algorithm based on breadth-first search for extracting plane normal vectors. To evaluate the performance of GFS-VO, we conducted extensive experiments. The results demonstrate that our proposed algorithm exhibits significant improvements in both time cost and accuracy compared to existing approaches.

We derive near-optimal per-action regret bounds for sleeping bandits, in which both the sets of available arms and their losses in every round are chosen by an adversary. In a setting with $K$ total arms and at most $A$ available arms in each round over $T$ rounds, the best known upper bound is $O(K\sqrt{TA\ln{K}})$, obtained indirectly via minimizing internal sleeping regrets. Compared to the minimax $\Omega(\sqrt{TA})$ lower bound, this upper bound contains an extra multiplicative factor of $K\ln{K}$. We address this gap by directly minimizing the per-action regret using generalized versions of EXP3, EXP3-IX and FTRL with Tsallis entropy, thereby obtaining near-optimal bounds of order $O(\sqrt{TA\ln{K}})$ and $O(\sqrt{T\sqrt{AK}})$. We extend our results to the setting of bandits with advice from sleeping experts, generalizing EXP4 along the way. This leads to new proofs for a number of existing adaptive and tracking regret bounds for standard non-sleeping bandits. Extending our results to the bandit version of experts that report their confidences leads to new bounds for the confidence regret that depends primarily on the sum of experts' confidences. We prove a lower bound, showing that for any minimax optimal algorithms, there exists an action whose regret is sublinear in $T$ but linear in the number of its active rounds.