23 papers · ranked by Valyu relevance
Siavash Ameli, Shawn C. Shadden
We develop heuristic interpolation methods for the functions t 7→ log det (A + tB) and t 7→ trace ((A + tB) p ) where the matrices A and B are Hermitian and positive (semi) definite and p and t are real variables. These functions are featured in many applications in statistics, machine learning, and computational…
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…
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…
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…
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…
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…
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…
De Huang
We introduce the notion of k-trace and use interpolation of operators to prove the joint concavity of the function (A, B) 7→ Trk - (B q 2 K∗ApKB q 2 ) s 1 k , which generalizes Lieb's concavity theorem and its following results from trace to a class of homogeneous functions Trk[·] 1 k . Here Trk[A] denotes the kth…
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…
Michael Bartoň, Victor M. Calo
We introduce a new concept for generating optimal quadrature rules for splines. Given a target spline space where we aim to generate an optimal quadrature rule, we build an associated source space with known optimal quadrature and transfer the rule from the source space to the target one, preserving the number of…
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…
Juannan Zhou, David M. McCandlish
Massively parallel phenotyping assays have provided unprecedented insight into how multiple mutations combine to determine biological function. While these assays can measure phenotypes for thousands to millions of genotypes in a single experiment, in practice these measurements are not exhaustive, so that there is a…
Christian J. Burnham, Niall J. English
We present a novel derivation of the multipole interaction (energies, forces and fields) in spherical harmonics, which results in an expression that is able to exactly reproduce the results of earlier Cartesian formulations. Our method follows the derivations of Smith (W. Smith, CCP5 Newsletter 1998, 46, 18.) and Lin…
Esfandiar Haghverdi
We introduce the notion of relative trace which is motivated by an observation about the category of vector spaces and linear transformations and builds upon the categorical trace of Joyal, Street, and Verity. Furthermore, we define a new categorical trace based on a trace formula first introduced by J. Bernstein.
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…
Nathalie Krauth, Valentina Khalil, Meet Jariwala, Noëmie Mermet-Joret + 3 more
A fundamental interest in circuit analysis is to parse out the synaptic inputs underlying a behavioral experience. Toward this aim, we have devised an unbiased strategy that specifically labels the afferent inputs that are activated by a defined stimulus in an activity-dependent manner. We validated this strategy in…
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…
Jonghoon Seo, Seungho Chae, Jinwook Shim, Dongchul Kim + 3 more
'Cheolho Cheong' 'Tack-Don Han' 'Vittorio M. N. Passaro'] Contour pixels distinguish objects from the background. Tracing and extracting contour pixels are widely used for smart/wearable image sensor devices, because these are simple and useful for detecting objects. In this paper, we present a novel contour-tracing…
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…
Noora Aho, Pavel Buslaev, Anton Jansen, Paul Bauer + 2 more
Molecular dynamics (MD) computer simulations are used routinely to compute atomistic trajectories of complex systems. Systems are simulated in various ensembles, depending on the experimental conditions one aims to mimic. While constant energy, temperature, volume, and pressure are rather straightforward to model, pH…