diffusion models

Institutional legitimacy and voluntary environmental certification: diffusion mechanisms of green factory standards in China

In the context of global sustainable development and the “dual carbon” goals, environmental protection has become a crucial issue that cannot be ignored in the economic development of various countries. In particular, the Pearl River Delta region, as an important base for China’s manufacturing industry, is facing huge...

CLAIREscope: Cellular Landscape Analysis, Interpretation & Results Explorer

CLAIREscope (Cellular Landscape Analysis, Interpretation & Results Explorer) is an open-source interactive platform for reproducible single-cell transcriptomics analysis, built with Python, Scanpy, and Streamlit. It integrates data preprocessing, multi-sample exploration, statistical analysis, trajectory modeling, diff...

Supplemental Materials for Adaptive Physical Parameter Generation Framework for Multi-point Aircraft Inverse Design via Diffusion Models Coupled with Optimal Aerodynamic Correlation Estimation

Correlated-electron theory of triplet–triplet multiexciton states in polypentacene

We present correlated-electron calculations of optical spin-singlet and triplet-triplet multiexciton states in three- and four-unit pentacene oligomers as microscopic models for polypentacene. The calculations use the Pariser-Parr-Pople Hamiltonian, multiple-reference singles and doubles configuration interaction, and...

Mechanism-Guided Antimicrobial Peptide Design through Membrane-Surface Fingerprinting and Graph Diffusion

Membrane-MaSIF, an MD-derived membrane surface matching model designed to capture peptide–membrane compatibility beyond sequence-level AMP labels, is developed and provides a mechanism-aware strategy for Gram-negative AMP discovery and optimization.

Effect of F-B-H2O on Zr diffusion in granitic melts: Implications for Zr mineralization

These data are supplementary data for the manuscript entitled "Effect of F-B-H2O on Zr diffusion in granitic melts: Implications for Zr mineralization". As a critical strategic metal, zirconium (Zr) is commonly associated with granitic rocks enriched in H2O, F and B. Nevertheless, the individual and coupled effects of...

Long-Term Average Impulse Control with Mean Field Interactions

Abstract This paper analyzes and explicitly solves a class of long-term average impulse control problems with a specific mean-field interaction. The underlying process is a general one-dimensional diffusion with appropriate boundary behavior. The model is motivated by applications such as the optimal long-term manageme...

Forward and Inverse Problems of a Semilinear Transport Equation

Abstract. We study forward and inverse problems for a semilinear radiative transport model where the absorption coefficient depends on the angular average of the transport solution. Our first result is the well-posedness theory for the transport model with general boundary data, which significantly improves previous th...

Turing Pattern Formation in the Chlorine Dioxide-Iodine-Malonic Acid Reaction-Diffusion System

The formation of localized structures in the chlorine dioxide-idodine-malonic acid (CDIMA) reaction-diffusion system is investigated numerically using a realistic model of this system. We analyze the one-dimensional patterns formed along the gradients imposed by boundary feeds, and study their linear stability to symme...

DeepFake-BMA: Photorealistic AI-Generated Faces for Binary Detection and Multiclass Attribution

This dataset contains photorealistic, high-resolution AI-generated facial portraits created by the authors to support research in synthetic media forensics, deepfake detection, and generative source attribution. Existing synthetic face benchmarks focus heavily on legacy Generative Adversarial Networks (GANs) or early l...

A Systematic Evaluation of Molecule Generation Models for De Novo Drug Design: From Benchmarks to Practical Insights

A comprehensive evaluation of molecule generation models for de novo drug design, covering 82 methods across five deep generative frameworks, including recurrent neural network (RNN)- and transformer-based models, variational autoencoders (VAEs), generative adversarial networks (GANs), flow-based models, and diffusion...

DTMG-Net: diffusion model with MoE and multi-scale dilated attention for CRC tongue image generative augmentation