74 citations · 163 across the 15 of their papers we have counts for
15 papers
Noise and error analysis and optimization in particle-based kinetic plasma simulations
E. G. Evstatiev, J. M. Finn, B. A. Shadwick +1
We analyze the noise in macro-particle methods used in plasma physics and fluid dynamics, leading to approaches for minimizing the total error, focusing on electrostatic models in…
A modified Susceptible-Infected-Recovered model for observed under-reported incidence data
Imelda Trejo, Nicolas Hengartner
Fitting Susceptible-Infected-Recovered (SIR) models to incidence data is problematic when not all infected individuals are reported. Assuming an underlying SIR model with general b…
Why I'm not Answering: Understanding Determinants of Classification of an Abstaining Classifier for Cancer Pathology Reports
Sayera Dhaubhadel, Jamaludin Mohd-Yusof, Kumkum Ganguly +13
Safe deployment of deep learning systems in critical real world applications requires models to make very few mistakes, and only under predictable circumstances. In this work, we a…
What needles do sparse neural networks find in nonlinear haystacks
Sylvain Sardy, Nicolas W Hengartner, Nikolai Bonenko +1
Using a sparsity inducing penalty in artificial neural networks (ANNs) avoids over-fitting, especially in situations where noise is high and the training set is small in comparison…
Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria
Rachael A. Mansbach, Inga V. Leus, Jitender Mehla +6
Gram-negative bacteria are a serious health concern due to the strong multidrug resistance that they display, partly due to the presence of a permeability barrier comprising two me…
Computing Long Timescale Biomolecular Dynamics using Quasi-Stationary Distribution Kinetic Monte Carlo (QSD-KMC)
Animesh Agarwal, Nicolas W. Hengartner, S. Gnanakaran +1
It is a challenge to obtain an accurate model of the state-to-state dynamics of a complex biological system from molecular dynamics (MD) simulations. In recent years, Markov State…