Related papers: HIGHT: Hierarchical Graph Tokenization for Molecul…

While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…

Artificial intelligence (AI) is reshaping computational and network biology by enabling new approaches to decode cellular communication networks. We introduce Hierarchical Molecular Language Models (HMLMs), a novel framework that models…

Large Language Models (LLMs) are prone to hallucination with non-factual or unfaithful statements, which undermines the applications in real-world scenarios. Recent researches focus on uncertainty-based hallucination detection, which…

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Large language models (LLMs) have recently shown strong potential in modeling relational structures. However, existing approaches remain fundamentally graph-centric: they focus on processing pairwise graph structures into tokens that LLMs…

Graph generation techniques are increasingly being adopted for drug discovery. Previous graph generation approaches have utilized relatively small molecular building blocks such as atoms or simple cycles, limiting their effectiveness to…

Large Vision Language Models (LVLMs) have demonstrated remarkable capabilities in understanding and describing visual content, achieving state-of-the-art performance across various vision-language tasks. However, these models often generate…

Large language models (LLMs) are being increasingly explored for graph tasks. Despite their remarkable success in text-based tasks, LLMs' capabilities in understanding explicit graph structures remain limited, particularly with large…

Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as…

Large language models (LLMs) have shown promise in formal theorem proving, but their token-level processing often fails to capture the inherent hierarchical nature of mathematical proofs. We introduce \textbf{Hierarchical Attention}, a…

Hallucination, i.e., generating factually incorrect content, remains a critical challenge for large language models (LLMs). We introduce TOHA, a TOpology-based HAllucination detector in the RAG setting, which leverages a topological…

Heterogeneous graph neural networks (HGNNs) excel at capturing structural and semantic information in heterogeneous graphs (HGs), while struggling to generalize across domains and tasks. With the rapid advancement of large language models…

Large Language Models (LLMs) are optimized to produce distributionally plausible continuations rather than to explicitly verify whether generated propositions are entailed by source documents. This inductive bias enables generalization, but…

Large Language Models (LLMs) are adept at text manipulation -- tasks such as machine translation and text summarization. However, these models can also be prone to hallucination, which can be detrimental to the faithfulness of any answers…

Hallucinations, the generation of apparently convincing yet false statements, remain a major barrier to the safe deployment of LLMs. Building on the strong performance of self-detection methods, we examine the use of structured knowledge…

The burgeoning presence of Large Language Models (LLM) is propelling the development of personalized recommender systems. Most existing LLM-based methods fail to sufficiently explore the multi-view graph structure correlations inherent in…

Recent years have witnessed a surge of research on leveraging large language models (LLMs) for sequential recommendation. LLMs have demonstrated remarkable potential in inferring users' nuanced preferences through fine-grained semantic…

Text-rich graphs, prevalent in data mining contexts like e-commerce and academic graphs, consist of nodes with textual features linked by various relations. Traditional graph machine learning models, such as Graph Neural Networks (GNNs),…

Prompt learning has become a prevalent strategy for adapting vision-language foundation models (VLMs) such as CLIP to downstream tasks. With the emergence of large language models (LLMs), recent studies have explored the potential of using…

We introduce G2T-LLM, a novel approach for molecule generation that uses graph-to-tree text encoding to transform graph-based molecular structures into a hierarchical text format optimized for large language models (LLMs). This encoding…