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 +4 more
wiley +1 more source
GraphRAG for engineering diagrams: ChatP&ID enables LLM interaction with P&IDs
AIChE Journal, EarlyView.Abstract Piping and Instrumentation Diagrams (P&IDs) are central to process engineering workflows, yet extracting information from them remains a tedious and time‐consuming task. This work introduces ChatP&ID, a framework enabling natural‐language interaction with smart P&IDs through Graph Retrieval‐Augmented Generation (GraphRAG), to our knowledge ...
Achmad Anggawirya Alimin +1 more
wiley +1 more source
FastMDAnalysis: Software for Automated Analysis of Molecular Dynamics Trajectories. [PDF]
J Comput ChemAina A, Kwan D.
europepmc +1 more source
Cell Segmentation Beyond 2D—A Review of the State‐of‐the‐Art
Advanced Intelligent Discovery, EarlyView.Cell segmentation underpins many biological image analysis tasks, yet most deep learning methods remain limited to 2D despite the inherently 3D nature of cellular processes. This review surveys segmentation approaches beyond 2D, comparing 2.5D and fully 3D methods, analyzing 31 models and 32 volumetric datasets, and introducing a unified reference ...
Fabian Schmeisser +6 more
wiley +1 more source
Artificial Intelligence-Driven Quantitative HER2 Scoring and Spatial Bystander Effect Modeling for ADC Response Stratification in HER2-Low Breast Cancer. [PDF]
Breast Cancer (Dove Med Press)Liu J, Zhang X.
europepmc +1 more source
Harnessing Machine Learning to Understand and Design Disordered Solids
Advanced Intelligent Discovery, EarlyView.This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source
Multimodal prediction of psychotic-like experiences using elastic net modeling: external validation in a clinical sample. [PDF]
Psychol MedArslan S +7 more
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary +1 more
wiley +1 more source
IRN2Vec: A representation learning model for road network intersections by integrating geospatial attributes and travel behaviors. [PDF]
PLoS OneYang X.
europepmc +1 more source
AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective
Advanced Intelligent Discovery, EarlyView.The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley +1 more source