Cover Image

Graph Multi-Similarity Learning for Molecular Property Prediction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Xu, Hao, Zhou, Zhengyang, Hong, Pengyu
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Computational Engineering, Finance, and Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

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

2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision
by: Li, Yunrui, et al.
Published: (2025)

Leveraging Multi-modal Representations to Predict Protein Melting Temperatures
by: Zhang, Daiheng, et al.
Published: (2024)

Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
by: Kuang, Taojie, et al.
Published: (2024)

Instructor-inspired Machine Learning for Robust Molecular Property Prediction
by: Wu, Fang, et al.
Published: (2023)

COBRA: Multimodal Sensing Deep Learning Framework for Remote Chronic Obesity Management via Wrist-Worn Activity Monitoring
by: Shen, Zhengyang, et al.
Published: (2025)

MatMMFuse: Multi-Modal Fusion model for Material Property Prediction
by: Bhattacharya, Abhiroop, et al.
Published: (2025)

CHAT: Beyond Contrastive Graph Transformer for Link Prediction in Heterogeneous Networks
by: Zhang, Shengming, et al.
Published: (2025)

Accelerating Black-Box Molecular Property Optimization by Adaptively Learning Sparse Subspaces
by: Sorourifar, Farshud, et al.
Published: (2024)

Enhancing Financial Market Predictions: Causality-Driven Feature Selection
by: Liang, Wenhao, et al.
Published: (2024)

ESM All-Atom: Multi-scale Protein Language Model for Unified Molecular Modeling
by: Zheng, Kangjie, et al.
Published: (2024)

Surface-based Molecular Design with Multi-modal Flow Matching
by: Wu, Fang, et al.
Published: (2026)

Bi-Level Chaotic Fusion Based Graph Convolutional Network for Stock Market Prediction Interval
by: Kandimalla, Eshwar Sai, et al.
Published: (2026)

Optimizing Portfolio Management and Risk Assessment in Digital Assets Using Deep Learning for Predictive Analysis
by: Cheng, Qishuo, et al.
Published: (2024)

Graph Laplacian-based Bayesian Multi-fidelity Modeling
by: Pinti, Orazio, et al.
Published: (2024)

Integrated Prediction and Multi-period Portfolio Optimization
by: Linghu, Yuxuan, et al.
Published: (2025)

Form-Finding and Physical Property Predictions of Tensegrity Structures Using Deep Neural Networks
by: Chen, Muhao, et al.
Published: (2024)

Deployment of Traditional and Hybrid Machine Learning for Critical Heat Flux Prediction in the CTF Thermal Hydraulics Code
by: Furlong, Aidan, et al.
Published: (2025)

GRAPPA -- A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures
by: Hoffmann, Marco, et al.
Published: (2025)

Multi-Grid Graph Neural Networks with Self-Attention for Computational Mechanics
by: Garnier, Paul, et al.
Published: (2024)

Multi-task Meta Label Correction for Time Series Prediction
by: Yang, Luxuan, et al.
Published: (2023)

A Deep Learning Framework Integrating CNN and BiLSTM for Financial Systemic Risk Analysis and Prediction
by: Cheng, Yu, et al.
Published: (2025)

Predicting Transonic Flowfields in Non-Homogeneous Unstructured Grids Using Autoencoder Graph Convolutional Networks
by: Immordino, Gabriele, et al.
Published: (2024)

Machine Learning based Prediction of Ditching Loads
by: Schwarz, Henning, et al.
Published: (2024)

Transformer Encoder and Multi-features Time2Vec for Financial Prediction
by: Bui, Nguyen Kim Hai, et al.
Published: (2025)

Equi-Euler GraphNet: An Equivariant, Temporal-Dynamics Informed Graph Neural Network for Dual Force and Trajectory Prediction in Multi-Body Systems
by: Sharma, Vinay, et al.
Published: (2025)

Temperature Distribution Prediction in Laser Powder Bed Fusion using Transferable and Scalable Graph Neural Networks
by: Raut, Riddhiman, et al.
Published: (2024)

SpecBridge: Bridging Mass Spectrometry and Molecular Representations via Cross-Modal Alignment
by: Wang, Yinkai, et al.
Published: (2026)

Physics-Informed Machine Learning for Grade Prediction in Froth Flotation
by: Nasiri, Mahdi, et al.
Published: (2024)

Using Sentiment and Technical Analysis to Predict Bitcoin with Machine Learning
by: Carosia, Arthur Emanuel de Oliveira
Published: (2024)

GSMT: Graph Fusion and Spatiotemporal TaskCorrection for Multi-Bus Trajectory Prediction
by: Ding, Fan, et al.
Published: (2025)

MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular Property Prediction
by: Liu, Yuyan, et al.
Published: (2024)

Graph Neural PDE Solvers with Conservation and Similarity-Equivariance
by: Horie, Masanobu, et al.
Published: (2024)

Deep Convolutional Neural Networks for Short-Term Multi-Energy Demand Prediction of Integrated Energy Systems
by: Arsene, Corneliu, et al.
Published: (2023)

Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs
by: Hu, Xiuyuan, et al.
Published: (2024)

Bitcoin Price Prediction using Machine Learning and Combinatorial Fusion Analysis
by: Wu, Yuanhong, et al.
Published: (2026)

Scale-Equivariant Generative Forecasting: Weight-Tied Dilated Convolutions, Wavelet Scattering Inputs, and Spectral-Consistency Training for Self-Similar Time Series
by: Morandi, Andrea
Published: (2026)

Transformer-Based Deep Learning Model for Bored Pile Load-Deformation Prediction in Bangkok Subsoil
by: Youwai, Sompote, et al.
Published: (2023)

TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design
by: Hu, Xiuyuan, et al.
Published: (2025)

Multi-Objective Reinforcement Learning-based Approach for Pressurized Water Reactor Optimization
by: Seurin, Paul, et al.
Published: (2023)