Copertina

Generative Design of Crystal Structures by Point Cloud Representations and Diffusion Model

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Li, Zhelin, Mrad, Rami, Jiao, Runxian, Huang, Guan, Shan, Jun, Chu, Shibing, Chen, Yuanping
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Artificial Intelligence Materials Science Machine Learning Computational Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Discovery of 2D Materials via Symmetry-Constrained Diffusion Model
di: Xu, Shihang, et al.
Pubblicazione: (2024)

Siamese Foundation Models for Crystal Structure Prediction
di: Wu, Liming, et al.
Pubblicazione: (2025)

A Generation Framework with Strict Constraints for Crystal Materials Design
di: Huang, Chao, et al.
Pubblicazione: (2024)

Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation
di: de Lambilly, Auguste, et al.
Pubblicazione: (2026)

WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
di: Kelvinius, Filip Ekström, et al.
Pubblicazione: (2025)

Vector Field Oriented Diffusion Model for Crystal Material Generation
di: Klipfel, Astrid, et al.
Pubblicazione: (2023)

Space Group Equivariant Crystal Diffusion
di: Chang, Rees, et al.
Pubblicazione: (2025)

Transformer-Enhanced Variational Autoencoder for Crystal Structure Prediction
di: Chen, Ziyi, et al.
Pubblicazione: (2025)

Symmetry-Driven Generation of Crystal Structures from Composition
di: Yin, Shi, et al.
Pubblicazione: (2026)

LLM Meets Diffusion: A Hybrid Framework for Crystal Material Generation
di: Khastagir, Subhojyoti, et al.
Pubblicazione: (2025)

Constrained Diffusion for Accelerated Structure Relaxation of Inorganic Solids with Point Defects
di: Cui, Jingyi, et al.
Pubblicazione: (2026)

CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence
di: Wang, Zongguo, et al.
Pubblicazione: (2025)

SLayerGen: a Crystal Generative Model for all Space and Layer Groups
di: Chang, Rees, et al.
Pubblicazione: (2026)

D3MES: Diffusion Transformer with multihead equivariant self-attention for 3D molecule generation
di: Zhang, Zhejun, et al.
Pubblicazione: (2025)

AI-Assisted Rapid Crystal Structure Generation Towards a Target Local Environment
di: Ridwan, Osman Goni, et al.
Pubblicazione: (2025)

Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
di: Cao, Bin, et al.
Pubblicazione: (2025)

Manifold-Aware Diffusion-Augmented Contrastive Learning for Noise-Robust Biosignal Representation
di: Zewail, Rami
Pubblicazione: (2025)

Design Topological Materials by Reinforcement Fine-Tuned Generative Model
di: Xu, Haosheng, et al.
Pubblicazione: (2025)

Generating Adversarial Point Clouds Using Diffusion Model
di: Zhao, Ruiyang, et al.
Pubblicazione: (2025)

PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation
di: Han, Xiao-Qi, et al.
Pubblicazione: (2025)

Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning
di: Huang, Chao, et al.
Pubblicazione: (2024)

MATAI: A Generalist Machine Learning Framework for Property Prediction and Inverse Design of Advanced Alloys
di: Deng, Yanchen, et al.
Pubblicazione: (2025)

PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction
di: Shen, Xiangxiang, et al.
Pubblicazione: (2024)

Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys
di: Kotama, Takanori, et al.
Pubblicazione: (2026)

The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
di: Duan, Chenru, et al.
Pubblicazione: (2025)

MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models
di: Badrinarayanan, Srivathsan, et al.
Pubblicazione: (2025)

An Agentic Framework for Autonomous Metamaterial Modeling and Inverse Design
di: Lu, Darui, et al.
Pubblicazione: (2025)

Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
di: Li, Zhixun, et al.
Pubblicazione: (2025)

Implicit Contact Diffuser: Sequential Contact Reasoning with Latent Point Cloud Diffusion
di: Huang, Zixuan, et al.
Pubblicazione: (2024)

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
di: Chen, Tianlang, et al.
Pubblicazione: (2024)

Masked Generative Extractor for Synergistic Representation and 3D Generation of Point Clouds
di: Zeng, Hongliang, et al.
Pubblicazione: (2024)

AI-Driven Structure Refinement of X-ray Diffraction
di: Cao, Bin, et al.
Pubblicazione: (2026)

Autonomous Multi-objective Alloy Design through Simulation-guided Optimization
di: Yang, Penghui, et al.
Pubblicazione: (2025)

Language-Native Materials Processing Design by Lightly Structured Text Database and Reasoning Large Language Model
di: Liu, Yuze, et al.
Pubblicazione: (2025)

LINR-PCGC: Lossless Implicit Neural Representations for Point Cloud Geometry Compression
di: Huang, Wenjie, et al.
Pubblicazione: (2025)

DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
di: Pan, Elton, et al.
Pubblicazione: (2025)

Equivariant Diffusion for Crystal Structure Prediction
di: Lin, Peijia, et al.
Pubblicazione: (2025)

LiDAR Point Cloud Image-based Generation Using Denoising Diffusion Probabilistic Models
di: Aghanouri, Amirhesam, et al.
Pubblicazione: (2025)

EADReg: Probabilistic Correspondence Generation with Efficient Autoregressive Diffusion Model for Outdoor Point Cloud Registration
di: Gong, Linrui, et al.
Pubblicazione: (2024)

Points-to-3D: Structure-Aware 3D Generation with Point Cloud Priors
di: Xia, Jiatong, et al.
Pubblicazione: (2026)