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We have implemented noniterative triples corrections to the energy from coupled-cluster with single and double excitations (CCSD) within the 1-electron exact two-component (1eX2C) relativistic framework. The effectiveness of both the…
Traditional and neural video codecs commonly encounter limitations in controllability and generality under ultra-low-bitrate coding scenarios. To overcome these challenges, we propose M3-CVC, a controllable video compression framework…
Subspace clustering (SC) is a popular method for dimensionality reduction of high-dimensional data, where it generalizes Principal Component Analysis (PCA). Recently, several methods have been proposed to enhance the robustness of PCA and…
While the periodic equation-of-motion coupled-cluster (EOM-CC) method promises systematic improvement of electronic band gap calculations in solids, its practical application at the singles and doubles level (EOM-CCSD) is hindered by severe…
In this paper, we present novel variations of an earlier approach called homogeneous clustering algorithm for reducing dataset size. The intuition behind the approaches proposed in this paper is to partition the dataset into homogeneous…
The hybrid method combining particle-in-cell and magnetohydrodynamics can be used to study the interaction between energetic particles and global plasma modes. In this paper we introduce the M3D-C1-K code, which is developed based on the…
Electron tomography has achieved higher resolution and quality at reduced doses with recent advances in compressed sensing. Compressed sensing (CS) theory exploits the inherent sparse signal structure to efficiently reconstruct…
Reducing the threshold voltage of electronic devices increases their sensitivity to electromagnetic radiation dramatically, increasing the probability of changing the memory cells' content. Designers mitigate failures using techniques such…
Coupled cluster methods are widely regarded as the gold standard of computational quantum chemistry as they are perceived to offer the best compromise between computational cost and a high-accuracy resolution of the ground state eigenvalue…
We develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are…
High-dimensional visual computer models are poised to revolutionize the space mission design process. The circular restricted three-body problem (CR3BP) gives rise to high-dimensional toroidal manifolds that are of immense interest to…
Real-world data collection for robotics is costly and resource-intensive, requiring skilled operators and expensive hardware. Simulations offer a scalable alternative but often fail to achieve sim-to-real generalization due to geometric and…
We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the Born-Oppenheimer approximation. Using the…
We apply a novel method with machine learning to calibrate sub-grid models within numerical simulation codes to achieve convergence with observations and between different codes. It utilizes active learning and neural density estimators.…
Geometrically frustrated spin-chain compounds such as Ca3Co2O6 exhibit extremely slow relaxation under a changing magnetic field. Consequently, both low-temperature laboratory experiments and Monte Carlo simulations have shown peculiar…
Measurement-based quantum computing (MBQC) is a promising quantum computing paradigm that performs computation through ``one-way'' measurements on entangled quantum qubits. It is widely used in photonic quantum computing (PQC), where the…
We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be removed to form approximations to the coupled cluster method, of…
The second in a two-part series, this paper extends the 3rd-order Spectral Representation Method for simulation of ergodic multi-variate stochastic processes according to a prescribed cross power spectral density and cross bispectral…
Generalized few-shot 3D point cloud segmentation aims to adapt to novel classes from only a few annotations while maintaining strong performance on base classes, but this remains challenging due to the inherent stability-plasticity…
Data augmentation methods inspired by CutMix have demonstrated significant potential in recent semi-supervised medical image segmentation tasks. However, these approaches often apply CutMix operations in a rigid and inflexible manner, while…