Related papers: Bridging Molecular Graphs and Large Language Model…
Large language models ($\textbf{LLMs}$) have emerged as a powerful method for discovery. Instead of utilizing numerical data, LLMs utilize associated variable $\textit{semantic metadata}$ to predict variable relationships. Simultaneously,…
Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…
Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks,…
In this paper, we aim to develop a large language model (LLM) with the reasoning ability on complex graph data. Currently, LLMs have achieved very impressive performance on various natural language learning tasks, extensions of which have…
While multi-modal models have successfully integrated information from image, video, and audio modalities, integrating graph modality into large language models (LLMs) remains unexplored. This discrepancy largely stems from the inherent…
Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…
Various human-designed prompt engineering techniques have been proposed to improve problem solvers based on Large Language Models (LLMs), yielding many disparate code bases. We unify these approaches by describing LLM-based agents as…
We focus on a conversational question answering task which combines the challenges of understanding questions in context and reasoning over evidence gathered from heterogeneous sources like text, knowledge graphs, tables, and infoboxes. Our…
Large Language Models (LLMs) have achieved remarkable success across various domains. However, they still face significant challenges, including high computational costs for training and limitations in solving complex reasoning problems.…
Developments in Graph-Language Models (GLMs) aim to integrate the structural reasoning capabilities of Graph Neural Networks (GNNs) with the semantic understanding of Large Language Models (LLMs). However, we demonstrate that current…
The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…
Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…
The success of large pretrained Transformers is closely tied to tokenizers, which convert raw input into discrete symbols. Extending these models to graph-structured data remains a significant challenge. In this work, we introduce a graph…
Large language models (LLMs) have recently achieved remarkable success in various reasoning tasks in the field of natural language processing. This success of LLMs has also motivated their use in graph-related tasks. Among others, recent…
Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node…
Existing benchmarks like NLGraph and GraphQA evaluate LLMs on graphs by focusing mainly on pairwise relationships, overlooking the high-order correlations found in real-world data. Hypergraphs, which can model complex beyond-pairwise…
Despite the promising results of large multimodal models (LMMs) in complex vision-language tasks that require knowledge, reasoning, and perception abilities together, we surprisingly found that these models struggle with simple tasks on…
The integration of multi-omic data is pivotal for understanding complex diseases, but its high dimensionality and noise present significant challenges. Graph Neural Networks (GNNs) offer a robust framework for analyzing large-scale…
The application of large language models (LLMs) to graph data has attracted a lot of attention recently. LLMs allow us to use deep contextual embeddings from pretrained models in text-attributed graphs, where shallow embeddings are often…
With the rapid advancement of large language models (LLMs), classic graph learning tasks have greatly benefited from LLMs, including improved encoding of textual features, more efficient construction of graphs from text, and enhanced…