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Uncertainty quantification (UQ) is important to machine learning (ML) force fields to assess the level of confidence during prediction, as ML models are not inherently physical and can therefore yield catastrophically incorrect predictions.…

Treating uncertainties in models is essential in many fields of science and engineering. Uncertainty quantification (UQ) on complex and computationally costly numerical models necessitates a combination of efficient model solvers, advanced…

Development of an accurate, flexible, and numerically efficient uncertainty quantification (UQ) method is one of fundamental challenges in machine learning. Previously, a UQ method called DISCO Nets has been proposed (Bouchacourt et al.,…

This manuscript develops a new framework to analyze and design iterative optimization algorithms built on the notion of Integral Quadratic Constraints (IQC) from robust control theory. IQCs provide sufficient conditions for the stability of…

In recent years, Quantum Computing (QC) has progressed to the point where small working prototypes are available for use. Termed Noisy Intermediate-Scale Quantum (NISQ) computers, these prototypes are too small for large benchmarks or even…

Quantum low-density parity-check (QLDPC) codes offer a promising route to scalable fault-tolerant quantum computation, but their performance under iterative decoding is strongly influenced by short-cycle structure and other harmful…

Despite the popularity of Convolutional Neural Networks (CNN), the problem of uncertainty quantification (UQ) of CNN has been largely overlooked. Lack of efficient UQ tools severely limits the application of CNN in certain areas, such as…

While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems.…

Graph neural networks (GNNs) are a powerful framework for learning representations from graph-structured data, but their direct implementation on near-term quantum hardware remains challenging due to circuit depth, multi-qubit interactions,…

The quantum hybrid algorithm has become a very promising and speedily method today for solving the larger-scale optimization in the noisy intermediate-scale quantum (NISQ) era. The unit commitment (UC) problem is a fundamental problem in…

In inverse problems, distribution-free uncertainty quantification (UQ) aims to obtain error bars with coverage guarantees that are independent of any prior assumptions about the data distribution. In the context of mass mapping,…

The article introduces a new method for applying Quantum Clustering to graph structures. Quantum Clustering (QC) is a novel density-based unsupervised learning method that determines cluster centers by constructing a potential function. In…

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Uncertainty quantification (UQ) in graph neural networks (GNNs) is crucial in high-stakes domains but remains a significant challenge. In graph settings, message passing often relies on strong assumptions such as exchangeability, which are…

This paper puts forth a coarse grid projection (CGP) multiscale method to accelerate computations of quasigeostrophic (QG) models for large scale ocean circulation. These models require solving an elliptic sub-problem at each time step,…

Achieving quantum speedups in practical tasks remains challenging for current noisy intermediate-scale quantum (NISQ) devices. These devices always encounter significant obstacles such as inevitable physical errors and the limited…

In the context of Noisy Intermediate-Scale Quantum (NISQ) computing, parameterized quantum circuits (PQCs) represent a promising paradigm for tackling challenges in quantum sensing, optimal control, optimization, and machine learning on…

The quasicontinuum (QC) method, originally proposed by Tadmor, Ortiz and Phillips in 1996, is a computational technique that can efficiently handle regular atomistic lattices by combining continuum and atomistic approaches. In the present…

The NP-hard problem of optimizing a quadratic form over the unimodular vector set arises in radar code design scenarios as well as other active sensing and communication applications. To tackle this problem (which we call unimodular…

Scaling quantum computing to practical applications necessitates reliable quantum error correction. Although numerous correction codes have been proposed, the overall correction efficiency critically limited by the decode algorithms. We…