Cover Image

Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Ock, Janghoon, Badrinarayanan, Srivathsan, Magar, Rishikesh, Antony, Akshay, Farimani, Amir Barati
Format:	Preprint
Published:	2024
Subjects:	Computational Engineering, Finance, and Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

LLM-guided Chemical Process Optimization with a Multi-Agent Approach
by: Zeng, Tong, et al.
Published: (2025)

GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
by: Ock, Janghoon, et al.
Published: (2024)

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

Automating MD simulations for Proteins using Large language Models: NAMD-Agent
by: Chandrasekhar, Achuth, et al.
Published: (2025)

Query2CAD: Generating CAD models using natural language queries
by: Badagabettu, Akshay, et al.
Published: (2024)

Coupled Diffusion-Encoder Models for Reconstruction of Flow Fields
by: Hemmasian, AmirPouya, et al.
Published: (2026)

Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent
by: Ock, Janghoon, et al.
Published: (2024)

Explainable Data-driven Modeling of Adsorption Energy in Heterogeneous Catalysis
by: Vinchurkar, Tirtha, et al.
Published: (2024)

Large Language Model Agent for Modular Task Execution in Drug Discovery
by: Ock, Janghoon, et al.
Published: (2025)

CaFA: Global Weather Forecasting with Factorized Attention on Sphere
by: Li, Zijie, et al.
Published: (2024)

Meta-Learning for Cross-Task Generalization in Protein Mutation Property Prediction
by: Badrinarayanan, Srivathsan, et al.
Published: (2025)

Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide Properties
by: Badrinarayanan, Srivathsan, et al.
Published: (2024)

Text to Band Gap: Pre-trained Language Models as Encoders for Semiconductor Band Gap Prediction
by: Yeh, Ying-Ting, et al.
Published: (2025)

NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research
by: Chandrasekhar, Achuth, et al.
Published: (2025)

gym-invmgmt: An Open Benchmarking Framework for Inventory Management Methods
by: Barati, Reza, et al.
Published: (2026)

Configurational-force-driven adaptive refinement and coarsening in topology optimization
by: Stankiewicz, Gabriel, et al.
Published: (2025)

Open-FinLLMs: Open Multimodal Large Language Models for Financial Applications
by: Huang, Jimin, et al.
Published: (2024)

Multimodal Fusion with Relational Learning for Molecular Property Prediction
by: Zhou, Zhengyang, et al.
Published: (2024)

Chem3DLLM: 3D Multimodal Large Language Models for Chemistry
by: Jiang, Lei, et al.
Published: (2025)

Hetero-EUCLID: Interpretable model discovery for heterogeneous hyperelastic materials using stress-unsupervised learning
by: Chaurasiya, Kanhaiya Lal, et al.
Published: (2025)

When Crypto Economics Meet Graph Analytics and Learning
by: Luo, Bingqiao
Published: (2024)

RoadFed: A Multimodal Federated Learning System for Improving Road Safety
by: Yuan, Yachao, et al.
Published: (2025)

A Generative Adversarial Graph Neural Network for Synthetic Time Series Data
by: Gregnanin, Marco, et al.
Published: (2026)

An Efficient Multimodal Learning Framework to Comprehend Consumer Preferences Using BERT and Cross-Attention
by: Niimi, Junichiro
Published: (2024)

The Statistical Significance of the Inclusion of Graph Neural Networks in the Financial Time Series Forecasting Problem
by: Gregnanin, Marco, et al.
Published: (2026)

Detecting Information Channels in Congressional Trading via Temporal Graph Learning
by: Roodman, Benjamin Pham, et al.
Published: (2026)

An Efficient Graph-Transformer Operator for Learning Physical Dynamics with Manifolds Embedding
by: Liu, Pengwei, et al.
Published: (2025)

Simulation of parametrized cardiac electrophysiology in three dimensions using physics-informed neural networks
by: Gomez, Roshan Antony, et al.
Published: (2025)

Networked Markets, Fragmented Data: Adaptive Graph Learning for Customer Risk Analytics and Policy Design
by: Zheng, Lecheng, et al.
Published: (2025)

BridgeNet: A Dataset of Graph-based Bridge Structural Models for Machine Learning Applications
by: Bleker, Lazlo, et al.
Published: (2025)

ReCoG: Relational and Compact Context Graph Learning for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2026)

PILL-CoDe: Inverse Design of Polypills via Automatic Differentiation for Prescribed Drug-Release Kinetics
by: Padhy, Rahul Kumar, et al.
Published: (2025)

CSMD: Curated Multimodal Dataset for Chinese Stock Analysis
by: Liu, Yu, et al.
Published: (2025)

General Method for Conversion Between Multimode Network Parameters
by: Zhuravlev, Alexander, et al.
Published: (2025)

Can LLMs Learn Macroeconomic Narratives from Social Media?
by: Gueta, Almog, et al.
Published: (2024)

Multimodal Financial Foundation Models (MFFMs): Progress, Prospects, and Challenges
by: Yanglet, Xiao-Yang Liu, et al.
Published: (2025)

Intelligent Optimization of Mine Environmental Damage Assessment and Repair Strategies Based on Deep Learning
by: Cheng, Qishuo
Published: (2024)

The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent
by: Segal, Nofit, et al.
Published: (2025)

Identifying the Multimodal Hierarchy of Public Transit Systems Using Itinerary Data
by: Lee, Junhee, et al.
Published: (2025)

CoinCLIP: A Multimodal Framework for Assessing Viability in Web3 Memecoins
by: Long, Hou-Wan, et al.
Published: (2024)