Results 211 to 220 of about 484,217 (355)

Thompson sampling based Monte-Carlo planning in POMDPs

Monte-Carlo tree search (MCTS) has been drawinggreat interest in recent years for planning under uncertainty. One of the key challenges is the tradeoffbetween exploration and exploitation. To addressthis, we introduce a novel online planning algorithmfor
Wu, Feng, Bai, Aijun, Chen, Xiaoping, Zhang, Zongzhang   +3 more
core  

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

An Improved Monte Carlo Method for Quantitative Analysis of Transparency Degradation Caused by Corneal Edema. [PDF]

Transl Vis Sci Technol
Li S, Liu Y, Yang B, Lv S, Zou X, Tang L, Zhou L, Jiang Z, Liu Z.   +8 more
europepmc   +1 more source

Calculation of Effective Thermal Conductivity for Human Skin Using the Fractal Monte Carlo Method. [PDF]

Micromachines (Basel), 2022
Rojas-Altamirano G, Vargas RO, Escandón JP, Mil-Martínez R, Rojas-Montero A.   +4 more
europepmc   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

Advanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

Optimization of sterilization efficiency for medical surgical blades in gamma irradiation using the Monte Carlo method. [PDF]

Sci Rep
Bian J, Liu F, Tang Y, Zhao Q, Lyu X, Cheng J.   +5 more
europepmc   +1 more source

Application of a Markov chain Monte Carlo method for robust quantification in chemical exchange saturation transfer magnetic resonance imaging. [PDF]

Quant Imaging Med Surg, 2022
Zhao Y, Wang X, Wang Y, Wang B, Zhang L, Wei X, He X.   +6 more
europepmc   +1 more source

Direct Simulation Monte Carlo Method on Gas Flow with Vortexes

, 1993
application/pdfTwo-dimensional gas flow between two concentric cylinders is calculated by the direct simulation Monte Carlo method (DSMC) using sebcell method and the maximum collision number method.
Usami, Masaru, 宇佐美, 勝
core  

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

The phase transition characteristics of n-pentane in silica slits with different wettability by Monte Carlo method. [PDF]

Sci Rep
Wang Z, Yu C, Zhao J, Fan K, Guo P, Kuang H, Liu H, Tu H, Hu Y, Su Z.   +9 more
europepmc   +1 more source