Related papers: The Integral Screened Configuration Interaction Me…
Incremental Potential Contact (IPC) enables robust, contact-rich simulation by casting elasticity and contact as a single energy minimization problem, but high-performance IPC pipelines are typically built from specialized kernels and…
We present a contact-implicit planning approach that can generate contact-interaction trajectories for non-prehensile manipulation problems without tuning or a tailored initial guess and with high success rates. This is achieved by…
Incremental full configuration interaction (iFCI) is polynomial-cost approach to the FCI limit of electronic structure. This article introduces the many-body basis set amelioration (MBBSA) method, which is designed to allow iFCI to be…
Fluid-structure systems occur in a range of scientific and engineering applications. The immersed boundary(IB) method is a widely recognized and effective modeling paradigm for simulating fluid-structure interaction(FSI) in such systems,…
We present a parallel implicit-explicit time integration scheme for the advection-diffusion-reaction systems arising from the equations governing low-Mach number combustion with complex chemistry. Our strategy employs parallelization across…
Interference alignment (IA) is a linear precoding strategy that can achieve optimal capacity scaling at high SNR in interference networks. Most of the existing IA designs require full channel state information (CSI) at the transmitters,…
In a previous paper we proposed a Projected Configuration Interaction method that uses sets of axially deformed single particle states to build up the many body basis. We show that the choice of the basis set is essential for the efficiency…
In this paper, we propose a novel computer vision-based approach to aid Reconfigurable Intelligent Surface (RIS) for dynamic beam tracking and then implement the corresponding prototype verification system. A camera is attached at the RIS…
We introduce a new approach to variable selection, called Predictive Correlation Screening, for predictor design. Predictive Correlation Screening (PCS) implements false positive control on the selected variables, is well suited to small…
Coherent Ising Machines (CIMs) have emerged as a hybrid form of quantum computing devices designed to solve NP-complete problems, offering an exciting opportunity for discovering optimal solutions. Despite challenges such as susceptibility…
Reconfigurable intelligent surface (RIS) is a promising candidate technology of the upcoming Sixth Generation (6G) communication system for its ability to provide unprecedented spectral and energy efficiency increment through passive…
Several aspects of the recently proposed DMC-CIPSI approach consisting in using selected Configuration Interaction (SCI) approaches such as CIPSI (Configuration Interaction using a Perturbative Selection done Iteratively) to build accurate…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
Convolutional Neural Networks have been known as black-box models as humans cannot interpret their inner functionalities. With an attempt to make CNNs more interpretable and trustworthy, we propose IS-CAM (Integrated Score-CAM), where we…
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic algorithm for performing multireference Epstein-Nesbet…
A systematic comparison of three approximate self-interaction corrections (SICs), Perdew-Zunger SIC, Lundin-Eriksson SIC and extended Fermi-Amaldi SIC, is performed for a model Hamiltonian whose exact many-body solution and exact…
Independent Component Analysis (ICA) is a dimensionality reduction technique that can boost efficiency of machine learning models that deal with probability density functions, e.g. Bayesian neural networks. Algorithms that implement…
Deep learning based methods have dominated super-resolution (SR) field due to their remarkable performance in terms of effectiveness and efficiency. Most of these methods assume that the blur kernel during downsampling is predefined/known…
We give the first efficient algorithm for learning the structure of an Ising model that tolerates independent failures; that is, each entry of the observed sample is missing with some unknown probability p. Our algorithm matches the…
A general framework of Numerical Singular Integrals (NSI) method based on the Integration By Parts (IBP) has been developed for integrals involving singular and nearly singular integrands, or NSI-IBP. Through a general integration by parts…