Results 111 to 120 of about 83,645 (264)

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

A Robust Deep Temporal Causal Discovery Platform for Single‐Cell Gene Regulatory Network Reconstruction

Advanced Intelligent Discovery, EarlyView.
scTIGER2.0 is a deep‐learning framework that infers gene regulatory networks from single‐cell RNA sequencing data. By integrating correlation, pseudotime ordering, deep learning and bootstrap‐based significance testing, it reduces false positives and reveals directional gene interactions.
Nishi Gupta, Madison Dautle, Shaoqiang Zhang, Yong Chen   +3 more
wiley   +1 more source

Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry

Advanced Intelligent Discovery, EarlyView.
Artificial neural networks enable autonomous extraction of onset times from transient heating curves in luminescence thermometry. Using Ln3+‐doped upconverting nanoparticles as luminescent thermometers, we combine experimental transients with physically motivated synthetic curves to enhance data diversity and improve generalization.
David J. Sousa, Erving Ximendes, Luís D. Carlos, Carlos D. S. Brites   +3 more
wiley   +1 more source

A Breadth‐First Pruned‐Enriched Rosenbluth Method for Force–Extension Simulations of Confined Semiflexible Chains

Advanced Intelligent Discovery, EarlyView.
The behaviors of semiflexible polymers such as DNA and protein are often reshaped by coupled interactions. Monte Carlo simulations assist in studying these systems. This work recasts the traditional chain‐growth strategy into a new framework: a fixed number of chains grow synchronously, while less relevant chains to the target system are removed and ...
Yihan Zhao, Jizeng Wang
wiley   +1 more source

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

Advanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik, Nidal Dhamrait, Katharina Ueltzen, Christina Ertural, Philipp Benner, Gian‐Marco Rignanese, Janine George   +6 more
wiley   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Scene‐Customized Learning for Multi‐Depth 3D Phase‐Only Hologram Generation

Advanced Intelligent Systems, EarlyView.
 Scene‐customized geometric modeling constructs GM‐4K, a controllable 4K RGB‐D dataset for learning‐based multi‐depth hologram generation. By tuning intensity spectra and depth‐region sampling, the dataset reveals how training‐data statistics affect phase‐only hologram encoding and supports a spectral test framework for evaluating model generalization ...
Yanan Zhang, Jiaqi Li, Tao Jing, Yang Yu, Yang Zhang, Xingpeng Yan   +5 more
wiley   +1 more source

Correction: Rare event detection by progressive clustering undersampling. [PDF]

PLoS One
PLOS One Staff.
europepmc   +1 more source

Overcoming the Phase Discontinuity Problem in RIS Optimization: A Robust and Scalable Phase‐Aware Deep Regression Framework via Hybrid CNN–LSTM Architecture

Advanced Intelligent Systems, EarlyView.
The phase discontinuity problem—where the cyclic nature of phase angles causes catastrophic errors near the ±π boundary—is a fundamental obstacle in learning‐based reconfigurable intelligent surface (RIS) optimization. A phase‐aware hybrid CNN–LSTM framework resolves this by decomposing phase predictions into sine–cosine components, mapping circular ...
Seda Savaşçı Şen, Ali Çalhan, Murtaza Cicioğlu, Oğuzhan Demiryürek   +3 more
wiley   +1 more source

Steering Langevin Dynamics toward Transition States Using Collective-Variable-Free Resampling. [PDF]

J Chem Theory Comput
Ketter M, Madsen GKH.
europepmc   +1 more source