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Related papers: Hierarchical Molecular Language Models (HMLMs)

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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…

Social and Information Networks · Computer Science 2025-10-15 Bingqiao Gu , Jiale Zeng , Xingqin Qi , Dong Li

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Emerging Technologies · Computer Science 2022-12-23 Sasitharan Balasubramaniam , Samitha Somathilaka , Sehee Sun , Adrian Ratwatte , Massimiliano Pierobon

The telecommunications and networking domain stands at the precipice of a transformative era, driven by the necessity to manage increasingly complex, hierarchical, multi administrative domains (i.e., several operators on the same path) and…

Networking and Internet Architecture · Computer Science 2025-06-30 Viswanath Kumarskandpriya , Abdulhalim Dandoush , Abbas Bradai , Ali Belgacem

AI agents powered by Large Language Models (LLMs) have made significant advances, enabling them to assist humans in diverse complex tasks and leading to a revolution in human-AI coordination. LLM-powered agents typically require invoking…

Artificial Intelligence · Computer Science 2024-01-10 Jijia Liu , Chao Yu , Jiaxuan Gao , Yuqing Xie , Qingmin Liao , Yi Wu , Yu Wang

In this paper we introduce Hierarchical Diffusion Language Models (HDLM) -- a novel family of discrete diffusion models for language modeling. HDLM builds on a hierarchical vocabulary where low-level tokens with detailed semantics are…

Computation and Language · Computer Science 2025-10-13 Cai Zhou , Chenyu Wang , Dinghuai Zhang , Shangyuan Tong , Yifei Wang , Stephen Bates , Tommi Jaakkola

Recently, there has been a surge of interest in extending the success of large language models (LLMs) from texts to molecules. Most existing approaches adopt a graph neural network to represent a molecule as a series of node tokens for…

Computation and Language · Computer Science 2025-06-09 Yongqiang Chen , Quanming Yao , Juzheng Zhang , James Cheng , Yatao Bian

Deep Language Models (DLMs) provide a novel computational paradigm for understanding the mechanisms of natural language processing in the human brain. Unlike traditional psycholinguistic models, DLMs use layered sequences of continuous…

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

In computational biophysics, where molecular data is expanding rapidly and system complexity is increasing exponentially, large language models (LLMs) and agent-based systems are fundamentally reshaping the field. This perspective article…

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and…

Artificial Intelligence · Computer Science 2025-12-09 Sarang Patil , Zeyong Zhang , Yiran Huang , Tengfei Ma , Mengjia Xu

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

Recent advancements in multimodal large language models (MLLMs) have demonstrated remarkable capabilities in processing diverse data types, yet significant disparities persist between human cognitive processes and computational approaches…

Computation and Language · Computer Science 2025-05-09 Dongxing Yu

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

Large Language Models (LLMs) have achieved remarkable success in various fields, prompting several studies to explore their potential in recommendation systems. However, these attempts have so far resulted in only modest improvements over…

Information Retrieval · Computer Science 2024-09-20 Junyi Chen , Lu Chi , Bingyue Peng , Zehuan Yuan

Large Language Models (LLMs) have attracted significant attention in recommender systems for their excellent world knowledge capabilities. However, existing methods that rely on Euclidean space struggle to capture the rich hierarchical…

Information Retrieval · Computer Science 2025-04-22 Wentao Cheng , Zhida Qin , Zexue Wu , Pengzhan Zhou , Tianyu Huang
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