Results 151 to 160 of about 4,813 (208)

A Review of Topological Data Analysis and Topological Deep Learning in Molecular Sciences. [PDF]

J Chem Inf Model
Wee J, Jiang J.
europepmc   +1 more source

Topological Properties of International Commodity Market: How Uncertainty Affects the Linkages?

Agribusiness, EarlyView.
ABSTRACT The study aims to explore the network topology of the international commodity market by examining the interconnections among 21 commodity futures across various categories, including energy, precious and industrial metals, and agriculture. We analyze the market structure of these commodity futures under both low and high uncertainty conditions
Ibrahim Yagli, Bayram Deviren
wiley   +1 more source

Pharmacological Modulation of Injury-Induced Vascular Remodeling by Colchicine: An Integrated Experimental and Network-Based Analysis. [PDF]

Biomedicines
Onar LC, Guner E, Yumun HNA, Dindar H, Yilmaz I, Yumun G.   +5 more
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Statistical Shape Modeling of the Clavicle: Morphological Variation, Sex Differences, and Surgical Implications. [PDF]

Orthop Surg
Zhang G, Hao M, Wang J, Wang K, Zhang M, Su X, Yao Q.   +6 more
europepmc   +1 more source

Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization

AIChE Journal, EarlyView.
Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son, Chan Kim, Ji Hun Pak, Hain Lee, Jong Min Lee   +4 more
wiley   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

Advanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian, Martin Taylor Sobczak, Dhanush Patil, Jixin Hou, Lin Pang, Arunachalam Ramanathan, Libin Yang, Xianyan Chen, Yuval Golan, Xiaoming Zhai, Hongyue Sun, Kenan Song, Xianqiao Wang   +12 more
wiley   +1 more source

A null findings study: graph theoretical analysis of the fetal functional connectome shows no relationships with future autistic traits. [PDF]

Neuroimage Rep
Chen B, Ji L, Menu I, Taylor A, Trentacosta CJ, Thomason ME.   +5 more
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source

Recombination and phylogenetic inference. [PDF]

Evol J Linn Soc
Rannala B.
europepmc   +1 more source