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Reliable uncertainty quantification (UQ) is essential for developing machine-learned interatomic potentials (MLIPs) in predictive atomistic simulations. Conformal prediction (CP) is a statistical framework that constructs prediction…

The randomness from a quantum random number generator (QRNG) relies on the accurate characterization of its devices. However, device imperfections and inaccurate characterizations can result in wrong entropy estimation and bias in practice,…

Quantum computing offers transformative potential for simulating real-world materials, providing a powerful platform to investigate complex quantum systems across quantum chemistry and condensed matter physics. In this work, we leverage…

The data encoding circuits used in quantum support vector machine (QSVM) kernels play a crucial role in their classification accuracy. However, manually designing these circuits poses significant challenges in terms of time and performance.…

Quantum machine learning (QML) is an emerging field that investigates the capabilities of quantum computers for learning tasks. While QML models can theoretically offer advantages such as exponential speed-ups, challenges in data loading…

Are multi-layer parameterized quantum circuits (MPQCs) more expressive than classical neural networks (NNs)? How, why, and in what aspects? In this work, we survey and develop intuitive insights into the expressive power of MPQCs in…

Variational quantum algorithms (VQAs) have emerged as a leading paradigm in near-term quantum computing, yet their performance can be hindered by the so-called barren plateau problem, where gradients vanish exponentially with system size or…

Mixed Integer Linear Programs (MILP) are well known to be NP-hard (Non-deterministic Polynomial-time hard) problems in general. Even though pure optimization-based methods, such as constraint generation, are guaranteed to provide an optimal…

Quantum neural networks (QNNs) are a framework for creating quantum algorithms that promises to combine the speedups of quantum computation with the widespread successes of machine learning. A major challenge in QNN development is a…

Uncertainty quantification (UQ) is essential for deploying machine learning models in safety-critical physical systems, yet classical Bayesian approaches incur substantial computational overhead. We establish a formal connection between…

Combining classical optimization with parameterized quantum circuit evaluation, variational quantum algorithms (VQAs) are among the most promising algorithms in near-term quantum computing. Similar to neural networks (NNs), VQAs iteratively…

Solving real-time quadratic programming (QP) is a ubiquitous task in control engineering, such as in model predictive control and control barrier function-based QP. In such real-time scenarios, certifying that the employed QP algorithm can…

The effectiveness of training neural networks directly impacts computational costs, resource allocation, and model development timelines in machine learning applications. An optimizer's ability to train the model adequately (in terms of…

Quantum machine learning, focusing on quantum neural networks (QNNs), remains a vastly uncharted field of study. Current QNN models primarily employ variational circuits on an ansatz or a quantum feature map, often requiring multiple…

Quantum supervised learning, utilizing variational circuits, stands out as a promising technology for NISQ devices due to its efficiency in hardware resource utilization during the creation of quantum feature maps and the implementation of…

Classical simulations of quantum circuits are vital for assessing potential quantum advantage and benchmarking devices, yet they require sophisticated methods to avoid the exponential growth of resources. Tensor network approaches, in…

Quantum Neural Networks (QNNs), or the so-called variational quantum circuits, are important quantum applications both because of their similar promises as classical neural networks and because of the feasibility of their implementation on…

Machine learning interatomic potentials (MLIPs) have been widely used to facilitate large-scale molecular simulations with accuracy comparable to ab initio methods. In practice, MLIP-based molecular simulations often encounter the issue of…

Quantum neural networks (QNNs) provide expressive probabilistic models by leveraging quantum superposition and entanglement, yet their practical training remains challenging due to highly oscillatory loss landscapes and noise inherent to…

This paper presents an easy-to-implement approach to mitigate the challenges posed by barren plateaus (BPs) in randomly initialized parameterized quantum circuits (PQCs) within variational quantum algorithms (VQAs). Recent state-of-the-art…