English
Related papers

Related papers: G2T-LLM: Graph-to-Tree Text Encoding for Molecule …

200 papers

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

Machine Learning · Computer Science 2025-02-18 Xuefeng Liu , Songhao Jiang , Bo Li , Rick Stevens

Knowledge Graph Completion (KGC), which aims to infer missing or incomplete facts, is a crucial task for KGs. However, integrating the vital structural information of KGs into Large Language Models (LLMs) and outputting predictions…

Computation and Language · Computer Science 2025-06-02 Kangyang Luo , Yuzhuo Bai , Cheng Gao , Shuzheng Si , Yingli Shen , Zhu Liu , Zhitong Wang , Cunliang Kong , Wenhao Li , Yufei Huang , Ye Tian , Xuantang Xiong , Lei Han , Maosong Sun

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

We present Text2MBL, a text-to-code generation framework that generates executable Building Information Modeling (BIM) code directly from textual descriptions of modular building layout (MBL) design. Unlike conventional layout generation…

Computational Engineering, Finance, and Science · Computer Science 2025-09-30 Yinyi Wei , Xiao Li

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings,…

Computation and Language · Computer Science 2026-05-25 Jiatong Li , Junxian Li , Weida Wang , Yunqing Liu , Changmeng Zheng , Yatao Bian , Dongzhan Zhou , Xiao-yong Wei , Qing Li

Graph-structured information offers rich contextual information that can enhance language models by providing structured relationships and hierarchies, leading to more expressive embeddings for various applications such as retrieval,…

Large Language Models (LLMs) have demonstrated strong reasoning abilities, making them suitable for complex tasks such as graph computation. Traditional reasoning steps paradigm for graph problems is hindered by unverifiable steps, limited…

Computation and Language · Computer Science 2024-10-28 Qifan Zhang , Xiaobin Hong , Jianheng Tang , Nuo Chen , Yuhan Li , Wenzhong Li , Jing Tang , Jia Li

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

Knowledge graphs (KGs) can be enhanced through rule mining; however, the resulting logical rules are often difficult for humans to interpret due to their inherent complexity and the idiosyncratic labeling conventions of individual KGs. This…

Computation and Language · Computer Science 2025-08-18 Nasim Shirvani-Mahdavi , Chengkai Li

Large Language Models (LLMs) have revolutionized the ability to understand and generate text, enabling significant progress in automatic knowledge graph construction from text (Text2KG). Many Text2KG methods, however, rely on iterative LLM…

Computation and Language · Computer Science 2025-12-04 Faezeh Faez , Marzieh S. Tahaei , Yaochen Hu , Ali Pourranjbar , Mahdi Biparva , Mark Coates , Yingxue Zhang

Large Language Models (LLMs) are increasingly applied to tasks involving structured inputs such as graphs. Abstract Meaning Representations (AMRs), which encode rich semantics as directed graphs, offer a rigorous testbed for evaluating LLMs…

Computation and Language · Computer Science 2025-12-11 Rafiq Kamel , Filippo Guerranti , Simon Geisler , Stephan Günnemann

Expressing natural language descriptions of structured facts or relations -- data-to-text generation (D2T) -- increases the accessibility of structured knowledge repositories. Previous work shows that pre-trained language models(PLMs)…

Computation and Language · Computer Science 2022-05-24 Moniba Keymanesh , Adrian Benton , Mark Dredze

The ability of Large Language Models (LLMs) to generate structured outputs that follow arbitrary schemas is crucial to a wide range of downstream tasks that require diverse structured representations of results such as information…

Computation and Language · Computer Science 2025-11-25 James Y. Huang , Wenxuan Zhou , Nan Xu , Fei Wang , Qin Liu , Sheng Zhang , Hoifung Poon , Muhao Chen

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…

Molecular Networks · Quantitative Biology 2025-12-16 Hasi Hays , Yue Yu , William J. Richardson

Graph Chain-of-Thought (Graph-CoT) enables large language models (LLMs) to perform step-by-step reasoning over graph-structured knowledge, but existing pipelines suffer from low accuracy, excessive token usage, high latency, and low…

The Knowledge Graph-to-Text Generation task aims to convert structured knowledge graphs into coherent and human-readable natural language text. Recent efforts in this field have focused on enhancing pre-trained language models (PLMs) by…

Computation and Language · Computer Science 2024-09-24 Shanshan Wang , Chun Zhang , Ning Zhang

The remarkable success of large language models (LLMs) has motivated researchers to adapt them as universal predictors for various graph-related tasks, with the ultimate goal of developing a graph foundation model that generalizes diverse…

Computation and Language · Computer Science 2026-03-03 Zhongjian Zhang , Xiao Wang , Mengmei Zhang , Jiarui Tan , Chuan Shi

Large Language Models (LLMs) have garnered considerable interest within both academic and industrial. Yet, the application of LLMs to graph data remains under-explored. In this study, we evaluate the capabilities of four LLMs in addressing…

Artificial Intelligence · Computer Science 2023-09-12 Chang Liu , Bo Wu

Large Language Models (LLMs) have gained the ability to assimilate human knowledge and facilitate natural language interactions with both humans and other LLMs. However, despite their impressive achievements, LLMs have not made significant…

Computation and Language · Computer Science 2023-10-03 Jianan Zhao , Le Zhuo , Yikang Shen , Meng Qu , Kai Liu , Michael Bronstein , Zhaocheng Zhu , Jian Tang