Search · four archives
Search · four archives
6 papers · ranked by Valyu relevance
Xiangying Zhang, Haotian Gao, Haojie Wang, Zhihang Chen + 5 more
Predicting protein-ligand binding affinity is a central issue in drug design. Various deep learning models have been developed in recent years to tackle this issue, but many of them merely focus on reproducing the binding affinity of known binders. In this study, we have developed a graph neural network model called…
Changin Oh, Kathleen P. Wilkie
We present the Toroidal Search Algorithm (TSA), a novel population-based metaheuristic optimization method inspired by the topology of a torus. Conventional metaheuristics frequently suffer from boundary stagnation, a phenomenon that severely degrades performance in bounded and high-dimensional search spaces. TSA…
Olena Doroshenko
Pathfinding in complex topographies poses a challenge with applications extending from urban planning to autonomous navigation. While numerous algorithms offer potential solutions, their comparative efficiency and reliability when confronted with nonlinear terrains remain to be systematically evaluated. This study…
Hamed Khakzad, Yasaman Karami, Seyed Shahriar Arab
Protein tertiary structure prediction (PSP) is one of the most challenging problems in bioinformatics. Different methods have been introduced to solve this problem so far, but PSP is computationally intensive and belongs to the NP-hard class. One of the best solutions to accelerate PSP is the use of a massively…
Victor Yuan, E Magda Price, Giulia F Del Gobbo, Sara Mostafavi + 5 more
The influence of genetics on variation in DNA methylation (DNAme) is well documented. Yet confounding from population stratification is often unaccounted for in DNAme association studies. Existing approaches to address confounding by population stratification using DNAme data may not generalize to populations or…
Zoe Kutulakos, Patrick Slade
Assistive robotic devices like exoskeletons offer the promise of improving mobility for millions of people. However, developing devices that improve an objective mobility metric is challenging. Human-in-the-loop optimization is a systematic approach for personalizing robotic assistance to maximize a mobility metric…