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We propose a new generalised Kohn-Sham or constrained hybrid method, where the exchange potential is the (equally weighted) average of the nonlocal Fock exchange term and the self-interaction-corrected exchange potential, as obtained from…

Chemical Physics · Physics 2022-01-05 Thomas C. Pitts , Nektarios N. Lathiotakis , Nikitas I. Gidopoulos

We present a reduced density operator for electronically open molecules by explicitly averaging over the environmental degrees of freedom of the composite Hamiltonian. Specifically, we include the particle-number non-conserving…

Chemical Physics · Physics 2026-02-25 Jacob Pedersen , Bendik Støa Sannes , Ida-Marie Høyvik

This paper presents an overview of close parallels that exist between the theory of positive operator-valued measures (POVMs) associated with a separable Hilbert space and the theory of frames on that space, including its most important…

Functional Analysis · Mathematics 2011-11-08 Bill Moran , Stephen Howard , Doug Cochran

Kernel design for Multi-output Gaussian Processes (MOGP) has received increased attention recently. In particular, the Multi-Output Spectral Mixture kernel (MOSM) arXiv:1709.01298 approach has been praised as a general model in the sense…

Machine Learning · Statistics 2022-02-21 Matías Altamirano , Felipe Tobar

Pick-and-place is an important manipulation task in domestic or manufacturing applications. There exist many works focusing on grasp detection with high picking success rate but lacking consideration of downstream manipulation tasks (e.g.,…

Robotics · Computer Science 2023-04-05 Jen-Wei Wang , Lingfeng Sun , Xinghao Zhu , Qiyang Qian , Masayoshi Tomizuka

We discuss the multispecies time-dependent restricted-active-space self-consistent-field theory, an \textit{ab initio} wavefunction-based theory for mixtures of ultracold atomic and molecular gases. We present the general theory, based on…

Quantum Physics · Physics 2018-08-01 Camille Lévêque , Lars Bojer Madsen

Environment prediction frameworks are critical for the safe navigation of autonomous vehicles (AVs) in dynamic settings. LiDAR-generated occupancy grid maps (L-OGMs) offer a robust bird's-eye view for the scene representation, enabling…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Bernard Lange , Masha Itkina , Jiachen Li , Mykel J. Kochenderfer

Environment prediction frameworks are integral for autonomous vehicles, enabling safe navigation in dynamic environments. LiDAR generated occupancy grid maps (L-OGMs) offer a robust bird's eye-view scene representation that facilitates…

Robotics · Computer Science 2025-10-20 Bernard Lange , Masha Itkina , Mykel J. Kochenderfer

The Active Subspace (AS) method is a widely used technique for identifying the most influential directions in high-dimensional input spaces that affect the output of a computational model. The standard AS algorithm requires a sufficient…

Numerical Analysis · Mathematics 2025-10-24 Fabio Nobile , Matteo Raviola , Raul Tempone

Operators with continuous spectra naturally arise in spectral theory, quantum mechanics, automorphic forms, and noncommutative geometry. However, analyzing such operators, particularly in the non-selfadjoint setting, remains challenging due…

Functional Analysis · Mathematics 2025-08-01 Shih-Yu Chang

Precise perception of articulated objects is vital for empowering service robots. Recent studies mainly focus on point cloud, a single-modal approach, often neglecting vital texture and lighting details and assuming ideal conditions like…

Robotics · Computer Science 2024-07-02 Hongliang Zeng , Ping Zhang , Chengjiong Wu , Jiahua Wang , Tingyu Ye , Fang Li

Occupancy grids are the most common framework when it comes to creating a map of the environment using a robot. This paper studies occupancy grids from the motion planning perspective and proposes a mapping method that provides richer data…

Robotics · Computer Science 2016-09-20 Ali-akbar Agha-mohammadi

Understanding fundamental limits of the various technologies suggested for future 5G and beyond cellular systems is crucial for developing efficient state-of-the-art designs. A leading technology of major interest is non-orthogonal…

Information Theory · Computer Science 2018-01-16 Benjamin M. Zaidel , Ori Shental , Shlomo Shamai

This paper proposes an orthogonality-constrained modal search (OCMS) method for estimating modal wavenumbers and modal depth functions using a vertical linear array (VLA). Under the assumption of a known sound speed profile, OCMS leverages…

Signal Processing · Electrical Eng. & Systems 2025-09-24 Xiaolei Li , Pengyu Wang , Wenhua Song , Yangjin Xu , Wei Gao

To assist humans in open-world environments, robots must interpret ambiguous instructions to locate desired objects. Foundation model-based approaches excel at multimodal grounding, but they lack a principled mechanism for modeling…

Robotics · Computer Science 2026-03-06 Ivy Xiao He , Stefanie Tellex , Jason Xinyu Liu

Video-based computer vision tasks can benefit from estimation of the salient regions and interactions between those regions. Traditionally, this has been done by identifying the object regions in the images by utilizing pre-trained models…

Computer Vision and Pattern Recognition · Computer Science 2022-08-03 Arulkumar Subramaniam , Jayesh Vaidya , Muhammed Abdul Majeed Ameen , Athira Nambiar , Anurag Mittal

Human perception integrates multiple modalities, such as vision, hearing, and language, into a unified understanding of the surrounding reality. While recent multimodal models have achieved significant progress by aligning pairs of…

Computer Vision and Pattern Recognition · Computer Science 2025-02-13 Giordano Cicchetti , Eleonora Grassucci , Luigi Sigillo , Danilo Comminiello

In this paper, we present an integrated solution to memory-efficient environment modeling by an autonomous mobile robot equipped with a laser range-finder. Majority of nowadays approaches to autonomous environment modeling, called…

Robotics · Computer Science 2019-01-23 Miroslav Kulich , Viktor Kozák , Libor Přeučil

Unlike the local density approximation (LDA) and the generalized gradient approximation (GGA), calculations with meta-generalized gradient approximations (meta-GGA) are usually done according to the generalized Kohn-Sham (gKS) formalism.…

Materials Science · Physics 2016-06-01 Zeng-hui Yang , Haowei Peng , Jianwei Sun , John P. Perdew

The large-scale computer simulation of a system of physical fields governed by partial differential equations requires some means of approximating the mathematical limit of continuity. For example, conservation laws are often treated with a…

Computational Physics · Physics 2017-12-27 Christian Y. Cardall , Reuben D. Budiardja