Cover Image

KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Li, Longlong, Zhang, Yipeng, Wang, Guanghui, Xia, Kelin
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Quantitative Methods
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

MGKAN: Predicting Asymmetric Drug-Drug Interactions via a Multimodal Graph Kolmogorov-Arnold Network
by: Fan, Kunyi, et al.
Published: (2026)

Topology-Aware Multiscale Mixture of Experts for Efficient Molecular Property Prediction
by: Nguyen, Long D., et al.
Published: (2026)

Graph Residual based Method for Molecular Property Prediction
by: Sen, Kanad, et al.
Published: (2024)

Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks
by: Xie, HongXin, et al.
Published: (2025)

XIMP: Cross Graph Inter-Message Passing for Molecular Property Prediction
by: Ehrlich, Anatol, et al.
Published: (2026)

Dual-Modality Representation Learning for Molecular Property Prediction
by: Zhao, Anyin, et al.
Published: (2025)

Multi-scale Graph Autoregressive Modeling: Molecular Property Prediction via Next Token Prediction
by: Jiang, Zhuoyang, et al.
Published: (2026)

Predicting Biomedical Interactions with Probabilistic Model Selection for Graph Neural Networks
by: KC, Kishan, et al.
Published: (2022)

What Molecular Structure Cannot Tell Us: A Taxonomy of Explainability Gaps in GNN-Based Drug Toxicity Prediction
by: Dietrich, Juergen
Published: (2026)

Interpretable Graph Kolmogorov-Arnold Networks for Multi-Cancer Classification and Biomarker Identification using Multi-Omics Data
by: Alharbi, Fadi, et al.
Published: (2025)

Graph-Theoretic Models for the Prediction of Molecular Measurements
by: Niane, Anna, et al.
Published: (2026)

Interpretable High-order Knowledge Graph Neural Network for Predicting Synthetic Lethality in Human Cancers
by: Chen, Xuexin, et al.
Published: (2025)

KANEL: Kolmogorov-Arnold Network Ensemble Learning Enables Early Hit Enrichment in High-Throughput Virtual Screening
by: Koptev, Pavel, et al.
Published: (2026)

Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning
by: Wang, Runzhong, et al.
Published: (2025)

Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel
by: Li, Xuan, et al.
Published: (2023)

Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2024)

Chem-GMNet: A Sphere-Native Geometric Transformer for Molecular Property Prediction
by: Warrier, Deepak, et al.
Published: (2026)

DDoS: A Graph Neural Network based Drug Synergy Prediction Algorithm
by: Schwarz, Kyriakos, et al.
Published: (2022)

Predicting Drug Solubility Using Different Machine Learning Methods -- Linear Regression Model with Extracted Chemical Features vs Graph Convolutional Neural Network
by: Ho, John, et al.
Published: (2023)

SGAC: A Graph Neural Network Framework for Imbalanced and Structure-Aware AMP Classification
by: Wang, Yingxu, et al.
Published: (2024)

Departures: Distributional Transport for Single-Cell Perturbation Prediction with Neural Schrödinger Bridges
by: Chi, Changxi, et al.
Published: (2025)

Aligned Manifold Property and Topology Point Clouds for Learning Molecular Properties
by: Mihalcea, Alexander
Published: (2025)

Drug Repurposing Using Deep Embedded Clustering and Graph Neural Networks
by: Delzer, Luke, et al.
Published: (2025)

Causal Inference, Biomarker Discovery, Graph Neural Network, Feature Selection
by: Lan, Chaowang, et al.
Published: (2025)

Predicting Side Effect of Drug Molecules using Recurrent Neural Networks
by: Beaudoin, Collin, et al.
Published: (2023)

Integrating Single-Cell Foundation Models with Graph Neural Networks for Drug Response Prediction
by: Rossner, Till, et al.
Published: (2025)

Molecular Topological Profile (MOLTOP) -- Simple and Strong Baseline for Molecular Graph Classification
by: Adamczyk, Jakub, et al.
Published: (2024)

GeoScatt-GNN: A Geometric Scattering Transform-Based Graph Neural Network Model for Ames Mutagenicity Prediction
by: Zoubir, Abdeljalil, et al.
Published: (2024)

A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
by: Li, Zongru, et al.
Published: (2026)

Injecting Hierarchical Biological Priors into Graph Neural Networks for Flow Cytometry Prediction
by: Mojarrad, Fatemeh Nassajian, et al.
Published: (2024)

HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
by: Liu, Bin, et al.
Published: (2024)

Do Larger Models Really Win in Drug Discovery? A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction
by: Guo, Jinjiang
Published: (2026)

Large-Scale Knowledge Integration for Enhanced Molecular Property Prediction
by: Ghunaim, Yasir, et al.
Published: (2024)

SeqProFT: Sequence-only Protein Property Prediction with LoRA Finetuning
by: Zhang, Shuo, et al.
Published: (2024)

Motif-aware Attribute Masking for Molecular Graph Pre-training
by: Inae, Eric, et al.
Published: (2023)

Molecular Odor Prediction with Harmonic Modulated Feature Mapping and Chemically-Informed Loss
by: Xie, HongXin, et al.
Published: (2025)

Multi Scale Graph Neural Network for Alzheimer's Disease
by: Chauhan, Anya, et al.
Published: (2024)

Graph Fourier Neural ODEs: Modeling Spatial-temporal Multi-scales in Molecular Dynamics
by: Sun, Fang, et al.
Published: (2024)

A Graph-in-Graph Learning Framework for Drug-Target Interaction Prediction
by: Song, Yuehua, et al.
Published: (2025)

Cross-Attention Graph Neural Networks for Inferring Gene Regulatory Networks with Skewed Degree Distribution
by: Xiong, Jiaqi, et al.
Published: (2024)