GitHub

Sparse InversE Covariance estimation for Ecological Association and Statistical Inference

This package will be useful to anybody who wants to infer graphical models for all sorts of compositional data, though primarily intended for microbiome relative abundance data (generated from 16S ...
GitHub

S2FFT: differentiable and accelerated spherical transforms

S2FFT is a Python package for computing Fourier transforms on the sphere and rotation group (Price & McEwen 2024) using JAX or PyTorch. It leverages autodiff to provide differentiable transforms, ...
C&EN

Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

You are free to share (copy and redistribute) this article in any medium or format and to adapt (remix, transform, and build upon) the material for any purpose, even commercially within the parameters ...
Frontiers

A Graph Fourier Transform Based Bidirectional Long Short-Term Memory Neural Network for Electrophysiological Source Imaging

Electrophysiological source imaging (ESI) refers to the process of reconstructing underlying activated sources on the cortex given the brain signal measured by Electroencephalography (EEG) or ...
Frontiers

Releasing the Time Step Upper Bound of CFL Stability Condition for the Acoustic Wave Simulation With Model-Order Reduction

The maximum time step size for the explicit finite-difference scheme complies with the Courant–Friedrichs–Lewy (CFL) stability condition, which essentially restricts the optimization and tuning of the ...
PNAS

Deep learning the slow modes for rare events sampling

The use of enhanced sampling simulations is essential in the study of complex physical, chemical, and biological processes. We devise a procedure that, by combining machine learning and biased ...