A biomedical open knowledge network harnesses the power of AI to understand deep human biology.

Knowledge representation and reasoning (KR&R) has been successfully implemented in many fields to enable computers to solve complex problems with AI methods. However, its application to biomedicine has been lagging in part due to the daunting complexity of molecular and cellular pathways that govern human physiology and pathology. In this article we describe concrete uses of SPOKE, an open knowledge network that connects curated information from 37 specialized and human-curated databases into a single property graph, with 3 million nodes and 15 million edges to date.

Vaccine efficacy and SARS-CoV-2 control in California and U.S. during the session 2020-2026: A modeling study.

Background: Besides maintaining health precautions, vaccination has been the only prevention from SARS-CoV-2, though no clinically proved 100% effective vaccine has been developed till date. At this stage, to withhold the debris of this pandemic-experts need to know the impact of the vaccine efficacy rates, the threshold level of vaccine effectiveness and how long this pandemic may extent with vaccines that have different efficacy rates. In this article, a mathematical model study has been done on the importance of vaccination and vaccine efficiency rate during an ongoing pandemic.

MARGIN: Uncovering Deep Neural Networks Using Graph Signal Analysis.

Interpretability has emerged as a crucial aspect of building trust in machine learning systems, aimed at providing insights into the working of complex neural networks that are otherwise opaque to a user. There are a plethora of existing solutions addressing various aspects of interpretability ranging from identifying prototypical samples in a dataset to explaining image predictions or explaining mis-classifications. While all of these diverse techniques address seemingly different aspects of interpretability, we hypothesize that a large family of interepretability tasks are variants of the same central problem which is identifying change in a model's prediction.

Improved surrogates in inertial confinement fusion with manifold and cycle consistencies.

Neural networks have become the method of choice in surrogate modeling because of their ability to characterize arbitrary, high-dimensional functions in a data-driven fashion. This paper advocates for the training of surrogates that are 1) consistent with the physical manifold, resulting in physically meaningful predictions, and 2) cyclically consistent with a jointly trained inverse model; i.e.

Computational Lipidomics of the Neuronal Plasma Membrane.

Membrane lipid composition varies greatly within submembrane compartments, different organelle membranes, and also between cells of different cell stage, cell and tissue types, and organisms. Environmental factors (such as diet) also influence membrane composition. The membrane lipid composition is tightly regulated by the cell, maintaining a homeostasis that, if disrupted, can impair cell function and lead to disease.

Towards robust topology of sparsely sampled data.

Sparse, irregular sampling is becoming a necessity for reconstructing large and high-dimensional signals. However, the analysis of this type of data remains a challenge. One issue is the robust selection of neighborhoods--a crucial part of analytic tools such as topological decomposition, clustering and gradient estimation.

Topological spines: a structure-preserving visual representation of scalar fields.

We present topological spines--a new visual representation that preserves the topological and geometric structure of a scalar field. This representation encodes the spatial relationships of the extrema of a scalar field together with the local volume and nesting structure of the surrounding contours. Unlike other topological representations, such as contour trees, our approach preserves the local geometric structure of the scalar field, including structural cycles that are useful for exposing symmetries in the data.

Density functional theory for efficient ab initio molecular dynamics simulations in solution.

We present a density functional for first-principles molecular dynamics simulations that includes the electrostatic effects of a continuous dielectric medium. It allows for numerical simulations of molecules in solution in a model polar solvent. We propose a smooth dielectric model function to model solvation into water and demonstrate its good numerical properties for total energy calculations and constant energy molecular dynamics.