Results 181 to 190 of about 38,756 (312)

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Data-driven regression analysis of amylose using Sombor molecular descriptors. [PDF]

Sci Rep
Mufti ZS, Asim M, Shflot AS, Saeed ST, Younis J.   +4 more
europepmc   +1 more source

ChatCFD: A Large Language Model‐Driven Agent for End‐to‐End Computational Fluid Dynamics Automation with Structured Knowledge and Reasoning

Advanced Intelligent Discovery, EarlyView.
Chat computational fluid dynamics (CFD) introduces an large language model (LLM)‐driven agent that automates OpenFOAM simulations end‐to‐end, attaining 82.1% execution success and 68.12% physical fidelity across 315 benchmarks—far surpassing prior systems.
E Fan, Kang Hu, Zhuowen Wu, Jiangyang Ge, Jiawei Miao, Yuzhi Zhang, He Sun, Weizong Wang, Tianhan Zhang   +8 more
wiley   +1 more source

ShockHash: Near Optimal-Space Minimal Perfect Hashing Beyond Brute-Force. [PDF]

Algorithmica
Lehmann HP, Sanders P, Walzer S.
europepmc   +1 more source

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Leveraging Different Distance Functions to Predict Antiviral Peptides with Geometric Deep Learning from ESMFold-Predicted Tertiary Structures. [PDF]

Antibiotics (Basel)
Cordoves-Delgado G, García-Jacas CR, Marrero-Ponce Y, Aguila SA, Lizama-Uc G.   +4 more
europepmc   +1 more source

Extending Battery Usage Time of a Heavy‐Duty Mecanum‐Wheeled Autonomous Electric Vehicle Used in Iron–Steel Industry by Considering Wheel Slippage

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
It is a fact that slippage causes tracking errors in both longitudinal and lateral directions which results to have less travel distance in tracking a reference trajectory. Less travel distance means having energy loss of the battery and carrying loads less than planned.
Gokhan Bayar, Goktug Hambarci, Ali Sezai Demirel   +2 more
wiley   +1 more source

Multiobjective Environmental Cleanup with Autonomous Surface Vehicle Fleets Using Multitask Multiagent Deep Reinforcement Learning

Advanced Intelligent Systems, EarlyView.
This study presents a multitask strategy for plastic cleanup with autonomous surface vehicles, combining exploration and cleaning phases. A two‐headed Deep Q‐Network shared by all agents is traineded via multiobjective reinforcement learning, producing a Pareto front of trade‐offs.
Dame Seck, Samuel Yanes, Manuel Perales, Daniel Gutiérrez, Sergio Toral   +4 more
wiley   +1 more source

PG-SCUnK: measuring pangenome graph representativeness using single-copy and universal K-mers. [PDF]

BMC Bioinformatics
Cumer T, Milia S, Leonard AS, Pausch H.
europepmc   +1 more source

Pi-tau-perfect graphs

, 1997
Vadim Zverovich
openalex   +1 more source