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Scientific large language models: A survey on biological & chemical domains
Large Language Models (LLMs) have emerged as a transformative power in enhancing
natural language comprehension, representing a significant stride toward artificial general …
natural language comprehension, representing a significant stride toward artificial general …
Invariant graph learning meets information bottleneck for out-of-distribution generalization
Graph out-of-distribution (OOD) generalization remains a major challenge in graph learning
since graph neural networks (GNNs) often suffer from severe performance degradation …
since graph neural networks (GNNs) often suffer from severe performance degradation …
Unimot: Unified molecule-text language model with discrete token representation
The remarkable success of Large Language Models (LLMs) across diverse tasks has driven
the research community to extend their capabilities to molecular applications. However …
the research community to extend their capabilities to molecular applications. However …
Discrete Dictionary-based Decomposition Layer for Structured Representation Learning
Neuro-symbolic neural networks have been extensively studied to integrate symbolic
operations with neural networks, thereby improving systematic generalization. Specifically …
operations with neural networks, thereby improving systematic generalization. Specifically …
Unraveling and Mitigating Endogenous Task-oriented Spurious Correlations in Ego-graphs via Automated Counterfactual Contrastive Learning
Abstract Graph Neural Networks (GNNs) have been proven to easily overfit spurious
subgraphs in the available data, which reduces their trustworthiness in high-stakes real …
subgraphs in the available data, which reduces their trustworthiness in high-stakes real …
A survey of out‐of‐distribution generalization for graph machine learning from a causal view
J Ma - AI Magazine, 2024 - Wiley Online Library
Graph machine learning (GML) has been successfully applied across a wide range of tasks.
Nonetheless, GML faces significant challenges in generalizing over out‐of‐distribution …
Nonetheless, GML faces significant challenges in generalizing over out‐of‐distribution …
Advancing Molecule Invariant Representation via Privileged Substructure Identification
Graph neural networks (GNNs) have revolutionized molecule representation learning by
modeling molecules as graphs, with atoms represented as nodes and chemical bonds as …
modeling molecules as graphs, with atoms represented as nodes and chemical bonds as …
When graph neural network meets causality: Opportunities, methodologies and an outlook
Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for
capturing complex dependencies within diverse graph-structured data. Despite their …
capturing complex dependencies within diverse graph-structured data. Despite their …
A Survey of Quantized Graph Representation Learning: Connecting Graph Structures with Large Language Models
Recent years have witnessed rapid advances in graph representation learning, with the
continuous embedding approach emerging as the dominant paradigm. However, such …
continuous embedding approach emerging as the dominant paradigm. However, such …
Raising the Bar in Graph OOD Generalization: Invariant Learning Beyond Explicit Environment Modeling
Out-of-distribution (OOD) generalization has emerged as a critical challenge in graph
learning, as real-world graph data often exhibit diverse and shifting environments that …
learning, as real-world graph data often exhibit diverse and shifting environments that …