15 papers · ranked by Valyu relevance
Fuchao Wu, Ming Zhang, Guanghui Wang, Zhanyi Hu + 1 more
Line triangulation, a classical geometric problem in computer vision, is to determine the 3D coordinates of a line based on its 2D image projections from more than two views of cameras with known projection matrices. Compared to point features, line segments are more robust to matching errors, occlusions, and image…
Oliver Serang, Jérémie Bourdon
Linear programming (LP) problems are commonly used in analysis and resource allocation, frequently surfacing as approximations to more difficult problems. Existing approaches to LP have been dominated by a small group of methods, and randomized algorithms have not enjoyed popularity in practice. This paper introduces a…
Authors not listed
We present a fast, asymptotically linear-scaling implementation of the perturbative quadruples energy correction in coupled-cluster theory using local natural orbitals. Our work follows the domain-based local pair natural orbital (DLPNO) approach previously applied to lower levels of excitations in coupled-cluster…
Theodoros Anagnostopoulos, Evanthia Zervoudi, Christos Anagnostopoulos, Apostolos Christopoulos + 1 more
Linear regression analysis focuses on predicting a numeric regressand value based on certain regressor values. In this context, k-Nearest Neighbors (k-NN) is a common non-parametric regression algorithm, which achieves efficient performance when compared with other algorithms in literature. In this research effort an…
Chunchun Zhao, Sartaj Sahni
Background In the string correction problem, we are to transform one string into another using a set of prescribed edit operations. In string correction using the Damerau-Levenshtein (DL) distance, the permissible edit operations are: substitution, insertion, deletion and transposition. Several algorithms for string…
Jiahong Wu, Nan Liu, Wei Kang, Jun Chen + 1 more
In this paper, we study a three-layer wiretap network including the source node in the top layer, N nodes in the middle layer and L sink nodes in the bottom layer. Each sink node recovers the message generated from the source node correctly via the middle layer nodes that it has access to. Furthermore, it is required…
Peihuang Huang, Wenxing Zhu, Longkun Guo
Given a set of sensors distributed on the plane and a set of Point of Interests (POIs) on a line segment, a primary task of the mobile wireless sensor network is to schedule covering the POIs by the sensors, such that each POI is monitored by at least one sensor. For balancing the energy consumption, we study the…
Kevin Robben, Christopher Cheatum
We report a comprehensive study of the efficacy of least-squares fitting of multidimensional spectra to generalized Kubo lineshape models and introduce a novel least-squares fitting metric, termed the Scale Invariant Gradient Norm (SIGN), that enables a highly reliable and versatile algorithm. The precision of…
Andrew McCluskey
The use of mathematical transformations to reduce non-linear functions to linear problems, which can be tackled with analytical linear regression, is commonplace in the chemistry curriculum. The linearization procedure, however, assumes an incorrect statistical model for real experimental data; leading to biased…
Pier Paolo Poier, Louis Lagardère, Jean-Philip Piquemal
We propose a new strategy to solve the Tkatchenko-Scheffler Many-Body Dispersion (MBD) model’s equations. Our approach overcomes the original O(N**3) computational complexity that limits its applicability to large molecular systems within thecontext of O(N) Density Functional Theory (DFT). First, in order to generate…
Yi Sun
We demonstrate how the combination of a shifted clustering algorithm and a fast-marching- based algorithm is able to generate good approximations of the Minimum Free Energy Path (MFEP) if a Free Energy Landscape (FEL) is given. Then, we show that using this kind of approximation as the MFEP's first guess and the string…
Jose Torres-Jimenez, Nelson Rangel-Valdez, Himer Avila-George, Oscar Carrizalez-Turrubiates + 1 more
'Oscar Carrizalez-Turrubiates' 'M. Sohel Rahman'] Software test suites based on the concept of interaction testing are very useful for testing software components in an economical way. Test suites of this kind may be created using mathematical objects called covering arrays. A covering array, denoted by CA(N; t, k, v)…
Pier Paolo Poir, Louis Lagardère, Jean-Philip Piquemal
We propose a new strategy to solve the Tkatchenko-Scheffler Many-Body Dispersion (MBD) model’s equations. Our approach overcomes the original O(N**3) computational complexity that limits its applicability to large molecular systems within thecontext of O(N) Density Functional Theory (DFT). First, in order to generate…
AKHIL SHAJAN, Madushanka Manathunga, Andreas Goetz, Kenneth Merz
Based on a series of energy minimizations with starting structures obtained from the Baker test set of 30 organic molecules, a comparison is made between various open-source geometry optimization codes that are interfaced with the open-source QUantum Interaction Computational Kernel (QUICK) program for gradient and…
Eric Hermes, Khachik Sargsyan, Habib Najm, Judit Zádor
We present a new algorithm for the optimization of molecular structures to saddle points on the potential energy surface using a redundant internal coordinate system. This algorithm automates the procedure of defining the internal coordinate system, including the handling of linear bending angles, e.g. through the…