相关论文: $\mathbb{i}$CAS: Imposed Automatic Selection and L…
In this work, we construct high-order finite element spaces for the $L^2$ de Rham complex on triangular meshes amenable to low-order-refined preconditioning. The spaces are constructed using the Duffy transformation, by pulling back…
The advent of pi-stacked layered metal-organic frameworks (MOFs) opened up new horizons for designing compact MOF-based devices as they offer unique electrical conductivity on top of permanent porosity and exceptionally high surface area.…
Arbitrary-oriented object detection is a relatively emerging but challenging task. Although remarkable progress has been made, there still remain many unsolved issues due to the large diversity of patterns in orientation, scale, aspect…
As computational power has continued to increase, and sensors have become more accurate, the corresponding advent of systems that are at once cognitive and immersive has arrived. These \textit{cognitive and immersive systems} (CAISs) fall…
In this paper, we formulate the new multi-objective coverage (MOC) problem where our goal is to identify a small set of representative samples whose predicted outcomes broadly cover the feasible multi-objective space. This problem is of…
Manipulation in confined and cluttered environments remains a significant challenge due to partial observability and complex configuration spaces. Effective manipulation in such environments requires an intelligent exploration strategy to…
Construction of hybrid atomic orbitals is proposed as the approximate common eigen states of finite first moment matrices. Their hybridization and orientation can be a-priori tunned as per their anticipated neighbourhood. Their Wannier…
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…
Chemical selectivity is a phenomenon displayed by potential energy surfaces (PES) that is relevant for many organic chemical reactions whose PES feature a valley-ridge inflection point (VRI) in the region between two sequential index-1…
Acquiring an anatomical map from position data is important for medical applications where catheters interact with soft tissues. To improve autonomous navigation in these settings, we require information beyond nonparametric maps typically…
We present a simultaneous sensor-based inspection and footprint coverage (SIFC) planning and control design with applications to autonomous robotic crack mapping and filling. The main challenge of the SIFC problem lies in the coupling of…
Online Food Ordering Service (OFOS) is a popular location-based service that helps people to order what you want. Compared with traditional e-commerce recommendation systems, users' interests may be diverse under different spatiotemporal…
Autonomous robots can benefit greatly from human-provided semantic characterizations of uncertain task environments and states. However, the development of integrated strategies which let robots model, communicate, and act on such 'soft…
Due the alarming rate of climate change, the implementation of efficient CO$_2$ capture has become crucial. This project aims to create an algorithm that predicts the uptake of CO$_2$ adsorbing Metal-Organic Frameworks (MOFs) by using…
Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…
Atomic basis sets are widely employed within quantum mechanics based simulations of matter. We introduce a machine learning model that adapts the basis set to the local chemical environment of each atom, prior to the start of self…
In this paper, we investigate reconfigurable intelligent surface (RIS)-aided multiple-input-multiple-output (MIMO) OAC systems designed to emulate the fully-connected (FC) layer of a neural network (NN) via analog OAC, where the RIS and the…
Self-supervised goal proposal and reaching is a key component for exploration and efficient policy learning algorithms. Such a self-supervised approach without access to any oracle goal sampling distribution requires deep exploration and…
We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond environments. The scheme goes beyond conventional tight binding descriptions…
We extend the selected columns of the density matrix (SCDM) methodology [J. Chem. Theory Comput. 2015, 11, 1463--1469]---a non-iterative procedure for generating localized occupied orbitals for condensed-phase systems---to the construction…