21 papers · ranked by Valyu relevance
Siavash Ameli, Shawn C. Shadden
\usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\textbf{A} + t\textbf{B}$$\end{document} A + t B Authors: ['Siavash Ameli' 'Shawn C. Shadden'] We develop heuristic…
Haoyu Li, Tianyu Xiong, Han‐Wei Shen
Particle tracing through numerical integration is a well-known approach to generating pathlines for visualization. However, for particle simulations, the computation of pathlines is expensive, since the interpolation method is complicated due to the lack of connectivity information. Previous studies utilize the k-d…
Situan Li, Weiying Zheng
Trace-compatible polynomial extensions are a recurring local ingredient in high-order finite element analysis on conforming hexahedral meshes. They are needed whenever prescribed edge and face traces must be preserved while a polynomial is extended into a neighboring cell or boundary patch. The main contribution of…
Samuel Garcia, Charlie Windolf, Julien Boussard, Benjamin Dichter + 2 more
High-density neural devices are now offering the possibility to record from neuronal populations in-vivo at unprecedented scale. However, the mechanical drifts often observed in these recordings are currently a major issue for “spike sorting”, an essential analysis step to identify the activity of single neurons from…
Jae-Hwan Choi, Jin Bong Lee, Jinsol Seo, Kwan Woo
This paper considers traces at the initial time for solutions of evolution equations with local or non-local derivatives in vector-valued Lp spaces with Ap weights. To achieve this, we begin by introducing a generalized real interpolation method. Within the framework of generalized interpolation theory, we make use of…
Mohamed Rashed, Nassir Al-Amri, Riyadh Halawani, Ali Atef + 2 more
In seismic imaging, the trace mixing process involves merging neighboring traces in seismic data to enhance the signal-to-noise ratio and improve the continuity and spatial coherence of seismic data. In regions with complex subsurface structures, current trace mix filters are often ineffective as they introduce…
Swaraj Kaondal, Arsalan Taassob, Sara Jeon, Su Hyun Lee + 6 more
Object tracking in microscopy videos is crucial for understanding biological processes. While existing methods often require fine-tuning tracking algorithms to fit the image dataset, here we explored an alternative paradigm: augmenting the image time-lapse dataset to fit the tracking algorithm. To test this approach…
Abhiroop Satheesh, Christoph P. Schmidt, Wolfgang A. Wall, Christoph Meier
'Christoph Meier'] Tensor interpolation is an essential step for tensor data analysis in various fields of application and scientific disciplines. In the present work, novel interpolation schemes for general, i.e., symmetric or non-symmetric, invertible square tensors are proposed. Critically, the proposed schemes rely…
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…
Abdullah Al Nahid, Linda Serafin, Nicholas Mancuso
In many applications, from statistical inference to machine learning, calculating the trace of a matrix is a fundamental operation, yet may be infeasible due to memory constraints. Stochastic trace estimation offers a practical solution by using randomized matrix-vector products to obtain accurate, unbiased estimates…
Alexander Demin
A standard way to control expression swell in computer algebra is to use multi-modular or evaluation-interpolation methods. In computations involving Gröbner bases, these techniques typically require repeatedly computing Gröbner bases of specializations of the same ideal. These repeated computations can be accelerated…
Travis Whyte, Andreas Stathopoulos, Eloy Romero, Kostas Orginos
The calculation of disconnected diagram contributions to physical signals is a computationally expensive task in Lattice QCD. To extract the physical signal, the trace of the inverse Lattice Dirac operator, a large sparse matrix, must be stochastically estimated. Because the variance of the stochastic estimator is…
Abdullah Al Nahid, Linda Serafin, Nicholas Mancuso
In many applications, from statistical inference to machine learning, calculating the trace of a matrix is a fundamental operation, yet may be infeasible due to memory constraints. Stochastic trace estimation offers a practical solution by using randomized matrix-vector products to obtain accurate, unbiased estimates…
Andrew Jiang, Kevin Correia, Tammy Gillis, Esaria L. Oliver + 8 more
Expanded short tandem DNA repeats are implicated in over 60 human disorders. In many, somatic instability (SI) of the repeat plays a critical role in disease pathogenesis. For example, SI in vulnerable neurons is a key driver of clinical symptoms in Huntington’s disease. Quantifying SI has traditionally relied on PCR…
Robert Denk, Floris B. Roodenburg
We characterize the trace spaces arising from intersections of weighted, vector-valued Sobolev spaces, where the weights are powers of the distance to the boundary. These weighted function spaces are particularly suitable for treating boundary value problems where derivatives of the solution blow up at the boundary. As…
Xiaohan Guo, Sebastian Kurtek, Karthik Bharath
Spatial, amplitude and phase variations in spatial functional data are confounded. Conclusions from the popular functional trace-variogram, which quantifies spatial variation, can be misleading when analyzing misaligned functional data with phase variation. To remedy this, we describe a framework that extends…
Jiajun Zhou, Austin Mroz, Kim Jelfs
Porous organic cages (POCs) are a class of porous molecular materials characterised by their tunable, intrinsic porosity; this functional property makes them candidates for applications including guest storage and separation. Typically formed via dynamic covalent chemistry reactions from multifunctionalised molecular…
Kveta Brazdilova, David Prihoda, Quynh Ton, Heath Klock + 1 more
Despite the advent of Next Generation Sequencing technology and its widespread applications, Sanger sequencing remains instrumental for molecular biology subcloning work in biological and medical research and indispensable for drug discovery campaigns. Although Sanger sequencing technology has been long established…
Authors not listed
We introduce an open-source program that converts molecular dynamics trajectories into disconnectivity graphs, providing a concise and interpretable visualisation of the energy landscape that has been traversed. Our approach applies Savitzky–Golay smoothing to per-frame thermodynamic traces (potential energy in NVE/NVT…
Karl Irikura
When using ab initio calculations to predict the spectra of diatomic molecules, discrete ab initio data must be converted to continuous form. As in other applications of interpolation throughout science and engineering, high-resolution (i.e., fine-mesh) data are desirable so that the method of interpolation does not…
Oskar Weser, Björn Hein Hanke, Ricardo Mata
In this work, we present a fully automated method for the construction of chemically meaningful sets of non-redundant internal coordinates (also commonly denoted as Z-matrices) from the cartesian coordinates of a molecular system. Particular focus is placed on avoiding ill-definitions of angles and dihedrals due to…