Results 111 to 120 of about 5,978,611 (274)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

AN EQUILIBRIUM SITUATION IN A PATROLLING GAME WITH A TRACKING CAMERA

Transactions of the Karelian Research Centre of the Russian Academy of Sciences, 2015
Equilibrium situations in a problem of patrolling on a graph were obtained using game theory methods. The solution of the game was found for a graph modeling the flux of information from data source to sink.
Vasily Gusev
doaj   +1 more source

A computational study of Ising‐based solvers for discrete landscape exploration in process optimization

AIChE Journal, EarlyView.
ABSTRACT Conceptual process design combines discrete configuration choices with continuous operating decisions, often yielding difficult mixed‐integer nonlinear or simulation‐based optimization problems. This work presents an exploratory computational assessment of Ising‐based solvers, simulated annealing, quantum annealing, and entropy computing, as ...
Yirang Park, David E. Bernal Neira
wiley   +1 more source

Chi-boundedness of graph classes excluding wheel vertex-minors

, 2018
A class of graphs is \(\chi\)-bounded if there exists a function \(f:\mathbb{N}→\mathbb{N}\) such that for every graph \(G\) in the class and every induced subgraph \(H\) of \(G\), if \(H\) has no clique of size \(q+1\), then the chromatic number of \(H\)
Oum, Sang-il
core   +1 more source

LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?

Advanced Intelligent Discovery, EarlyView.
A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler, Manuel Raimann, Marc Münker, Maxim Rosin, Joaquin E. Urrutia Gómez, Christof M. Niemeyer, Markus Reischl, Luca Rettenberger   +7 more
wiley   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Cellular Material Network: A General Machine Learning Architecture for Predicting Mechanical Properties of Cellular Materials

Advanced Intelligent Systems, EarlyView.
This study introduces Cellular Material Network (CM‐Net), a pioneering machine learning architecture integrating physical information, to predict the mechanical properties of cellular materials. Comprehensive validation through simulations and experiments demonstrates its accuracy in predicting nonlinear behaviors, including initial peak compression ...
Sicong Zhou, Qiang Gao, Liuchao Jin, Guoquan Xie, Kang Zhang, Wei‐Hsin Liao   +5 more
wiley   +1 more source

Exploiting Edge Semantics in Job Shop Scheduling Problem With Heterogeneous Graph Transformers

Advanced Intelligent Systems, EarlyView.
A heterogeneous graph transformer (HGT) is introduced for reinforcement learning‐based job shop scheduling by explicitly distinguishing precedence and machine‐contention relations through edge‐type‐specific attention. The proposed framework learns richer scheduling representations, improves decision quality over homogeneous graph models, and highlights
Bulent Soykan, Fatih Kasimoglu
wiley   +1 more source

The Presence and Percentage of Circulating Nucleated Red Blood Cells Reveal Distinct Characteristics in Adults With Sickle Cell Disease

American Journal of Hematology, EarlyView.
ABSTRACT Although circulating nucleated red blood cells (cNRBCs) have previously been detected in patients with sickle cell disease (SCD), their prevalence and clinical significance during steady‐state disease have not been established. We retrospectively analyzed 270 adults with an SS or Sβ0‐thalassemia genotype.
Ugo Boccadifuoco, Ivan Lerner, Auria Godard, Luc Darnige, Laure Joseph, Wassim El Nemer, Geoffrey Cheminet, Jean‐Benoit Arlet   +7 more
wiley   +1 more source

Vertex-antimagic total labelings of graphs

, 2003
In this paper we introduce a new type of graph labeling for a graph G(V;E) called an (a; d)-vertex-antimagic total labeling. In this labeling we assign to the vertices and edges the consecutive integers from 1 to |V| + |E| and calculate the sum of labels
Miller, M., Simanjuntak, R., Bertault, F., Baca, M., Slamin, MacDougall, J.A.   +5 more
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