22 papers · ranked by Valyu relevance
Filip Křikava, Heather B. Miller, Jan Vítek
The Scala programming language offers two distinctive language features implicit parameters and implicit conversions, often referred together as implicits. Announced without fanfare in 2004, implicits have quickly grown to become a widely and pervasively used feature of the language. They provide a way to reduce the…
Nasser N. Hasan, Konstantinos V. Petrides, Laura Hull, Sónia Brito-Costa
'Sónia Brito-Costa'] The main aim of this study is to introduce an implicit personality assessment method (e.g., implicit association test) to Kuwait. We adapted an existing personality-related implicit association test (IAT; Big Five IAT), while also constructed the first trait EI IAT based on Petrides’ four-factor…
Stefan Höck, Rainer Riedl
Background Although programming in a type-safe and referentially transparent style offers several advantages over working with mutable data structures and side effects, this style of programming has not seen much use in chemistry-related software. Since functional programming languages were designed with referential…
Yiben Fu, Osman N. Yogurtcu, Ruchita Kothari, Gudrun Thorkelsdottir + 2 more
Localization of proteins to a membrane is an essential step in a broad range of biological processes such as signaling, virion formation, and clathrin-mediated endocytosis. The strength and specificity of proteins binding to a membrane depend on the lipid composition. Single-particle reaction-diffusion methods offer a…
Hong Zhang, Adrian Sandu
Implicit-explicit (IMEX) time stepping methods can efficiently solve differential equations with both stiff and nonstiff components. IMEX Runge-Kutta methods and IMEX linear multistep methods have been studied in the literature. In this paper we study new implicit-explicit methods of general linear type (IMEX-GLMs). We…
Angelamaria Cardone, Z. Jackiewicz, Hong Zhang, Adrian Sandu
For many systems of differential equations modeling problems in science and engineering, there are natural splittings of the right hand side into two parts, one non-stiff or mildly stiff, and the other one stiff. For such systems implicit-explicit (IMEX) integration combines an explicit scheme for the non-stiff part…
Kyung Soo Rim
We consider an equation of multiple variables in which a partial derivative does not vanish at a point. The implicit function theorem provides a local existence and uniqueness of the function for the equation. In this paper, we propose an algorithm to approximate the function by a polynomial without using higher-order…
Charles C. Margossian, Michael Betancourt
Derivative-based algorithms are ubiquitous in statistics, machine learning, and applied mathematics. Automatic differentiation offers an algorithmic way to efficiently evaluate these derivatives from computer programs that execute relevant functions. Implementing automatic differentiation for programs that incorporate…
Qingde Li, Qingqi Hong, Quan Qi, Xinhui Ma + 2 more
Surface-based geometric modeling has many advantages in terms of visualization and traditional subtractive manufacturing using computer-numerical-control cutting-machine tools. However, it is not an ideal solution for additive manufacturing because to digitally print a surface-represented geometric object using a…
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Understanding and manipulating the conformational behavior of a molecule in different solvent environments is of great interest in the fields of drug discovery and organic synthesis. Molecular dynamics (MD) simulations with solvent molecules explicitly present are the gold standard to compute such conformational…
Duo Song, Eric Bylaska, Maria Sushko, Kevin Rosso
Many important geochemical and biogeochemical processes involve reactivity and dynamics in complex solutions. Gaining a fundamental understanding of these reaction mechanisms is a challenging goal that requires advanced computational and experimental approaches. However, important techniques such as molecular…
Jamie Cummins, Ian Hussey
Implicit measures are used extensively in psychological science. One fundamental goal of these measures is to provide information diagnostic of an individual’s attitudes or beliefs. After 25 years of research, this goal has not been achieved. We argue that this is because psychologists have not yet even quantified the…
Meikang Chen, Kurban Ubul, Xuebin Xu, Alimjan Aysa + 2 more
'Mahpirat Muhammat' 'Sheryl Berlin Brahnam'] As a research hotspot in the field of natural language processing (NLP), sentiment analysis can be roughly divided into explicit sentiment analysis and implicit sentiment analysis. However, due to the lack of obvious emotion words in the implicit sentiment analysis task and…
Sebastian D’Amario, Jennifer E. Ruttle, Bernard Marius ’t Hart, Denise Y. P. Henriques
During classical visuomotor adaptation, the implicit process is believed to emerge rather slowly; however, recent evidence has found this may not be true. Here, we further quantify the time-course of implicit learning in response to diverse feedback types, rotation magnitudes, feedback timing delays, and the role of…
Xuanxuan Zhang, Xu Cao, Shouping Zhu
Background Implicit shape-based reconstruction method in fluorescence molecular tomography (FMT) is capable of achieving higher image clarity than image-based reconstruction method. However, the implicit shape method suffers from a low convergence speed and performs unstably due to the utilization of gradient-based…
Kwanpyung Lee, J. R. Schmidt
Conventional continuum solvation models are ubiquitous in computational catalysis, including for describing metal/water interfaces which are relevant to both solution-phase heterogeneous catalysis and electrocatalysis. Nonetheless, we find that such continuum models qualitative fail to describe both the adsorption free…
Sarah A. Wilterson, Jordan A. Taylor
Learning in sensorimotor adaptation tasks has been historically viewed as solely an implicit learning phenomenon. However, recent findings suggest that implicit adaptation is heavily constrained, calling into question its utility in motor learning, and the theoretical framework of sensorimotor adaptation paradigms.…
Shanaathanan Modchalingam, Marco Ciccone, Sebastian D’Amario, Bernard Marius ’t Hart + 1 more
Human motor adaptation relies on both explicit conscious strategies and implicit unconscious updating of internal models to correct motor errors. Implicit adaptation is powerful, requiring less preparation time before executing adapted movements, but recent work suggests it is limited to some absolute magnitude…
Jeffry Setiadi, Simon Boothroyd, David Slochower, David Dotson + 4 more
Software to more rapidly and accurately predict protein--ligand binding affinities is of high interest for early-stage drug discovery, and physics-based methods are among the most widely used technologies for this purpose. The accuracy of these methods depends critically on the accuracy of the potential functions they…
Leonardo Rafael Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker + 7 more
We here introduce the Aquamarine (AQM) dataset, an extensive quantum-mechanical (QM) dataset that contains the structural and electronic information of 59,783 low-and high-energy conformers of 1,653 molecules with a total number of atoms ranging from 2 to 92 (mean:50.9), and containing up to 54 (mean:28.2) non-hydrogen…
Fergus R. Cooper, Ruth E. Baker, Alexander G. Fletcher
Mathematical modelling provides a useful framework within which to investigate the organization of biological tissues. With advances in experimental biology leading to increasingly detailed descriptions of cellular behaviour, models that consider cells as individual objects are becoming a common tool to study how…
Authors not listed
The complete active space second-order perturbation theory (CASPT2) is valuable for accurately predicting electronic structures and transition energies. However, optimizing molecular geometries in the solution phase has proven challenging. In this study, we develop analytic first-order derivatives of CASPT2 using an…