Results 151 to 160 of about 171,040 (210)

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Corrigendum to "ACtriplet: An improved deep learning model for activity cliffs prediction by integrating triplet loss and pre-training" [J. Pharm. Anal., 15 (2025) 101317]. [PDF]

J Pharm Anal
Yu X, Wang Y, Chen L, Li W, Tang Y, Liu G.   +5 more
europepmc   +1 more source

Domain‐Aware Implicit Network for Arbitrary‐Scale Remote Sensing Image Super‐Resolution

Advanced Intelligent Discovery, EarlyView.
Although existing arbitrary‐scale image super‐resolution methods are flexible to reconstruct images with arbitrary scales, the characteristic of training distribution is neglected that there exists domain shift between samples of various scales. In this work, a Domain‐Aware Implicit Network (DAIN) is proposed to handle it from the perspective of domain
Xiaoxuan Ren, Qian Jiang, Xin Jin, Puming Wang, Xing Chu, Shaowen Yao, Shengfa Miao   +6 more
wiley   +1 more source

Deep Learning for Predicting Late-Onset Breast Cancer Metastasis: The Single-Hyperparameter Grid Search (SHGS) Strategy for Meta-Tuning a Deep Feed-Forward Neural Network. [PDF]

Bioengineering (Basel)
Zhou Y, Arora-Jain O, Jiang X.
europepmc   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Machine learning model optimization with optuna for accurate prediction of strength and crack behavior in prestressed concrete beams. [PDF]

Sci Rep
Wen Y, Guo R, Duan Z, Tong Y, Tang X, Pan T, Fu C.   +6 more
europepmc   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

MTMEGPS: An R package for multi-trait and multi-environment genomic and phenomic selection using deep learning. [PDF]

Front Plant Sci
Mora-Poblete F, Valenzuela-Herrera J, Balach M, Martínez-Araya CJ, Maldonado C.   +4 more
europepmc   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

Advanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches. [PDF]

Chemphyschem
Goswami R, Jónsson H.
europepmc   +1 more source