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Language models are increasingly applied to biological sequences like proteins and mRNA, yet their default Euclidean geometry may mismatch the hierarchical structures inherent to biological data. While hyperbolic geometry provides a better…

Machine Learning · Computer Science 2025-11-05 Max van Spengler , Artem Moskalev , Tommaso Mansi , Mangal Prakash , Rui Liao

Therapeutic peptides have emerged as a pivotal modality in modern drug discovery, occupying a chemically and topologically rich space. While accurate prediction of their physicochemical properties is essential for accelerating peptide…

Machine Learning · Computer Science 2025-12-30 Seungeon Lee , Takuto Koyama , Itsuki Maeda , Shigeyuki Matsumoto , Yasushi Okuno

Large language models (LLMs) have shown great success in text modeling tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely…

Machine Learning · Computer Science 2025-11-07 Neil He , Rishabh Anand , Hiren Madhu , Ali Maatouk , Smita Krishnaswamy , Leandros Tassiulas , Menglin Yang , Rex Ying

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

mRNA-based vaccines have become a major focus in the pharmaceutical industry. The coding sequence as well as the Untranslated Regions (UTRs) of an mRNA can strongly influence translation efficiency, stability, degradation, and other factors…

Genomics · Quantitative Biology 2025-03-12 Matthew Wood , Mathieu Klop , Maxime Allard

Hierarchical multi-label classification (HMLC) is essential for modeling complex label dependencies in remote sensing. Existing methods, however, struggle with multi-path hierarchies where instances belong to multiple branches, and they…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Marjan Stoimchev , Boshko Koloski , Jurica Levatić , Dragi Kocev , Sašo Džeroski

Recent studies show that Large Language Models (LLMs) achieve strong reasoning capabilities through supervised fine-tuning or reinforcement learning. However, a key approach, the Process Reward Model (PRM), suffers from reward hacking,…

Computation and Language · Computer Science 2026-04-10 Teng Wang , Zhangyi Jiang , Zhenqi He , Shenyang Tong , Wenhan Yang , Yanan Zheng , Zeyu Li , Zifan He , Hailei Gong , Zewen Ye , Shengjie Ma , Jianping Zhang

Masked language modelling (MLM) as a pretraining objective has been widely adopted in genomic sequence modelling. While pretrained models can successfully serve as encoders for various downstream tasks, the distribution shift between…

Machine Learning · Computer Science 2025-02-26 Monireh Safari , Pablo Millan Arias , Scott C. Lowe , Lila Kari , Angel X. Chang , Graham W. Taylor

In the field of software engineering, applying language models to the token sequence of source code is the state-of-art approach to build a code recommendation system. The syntax tree of source code has hierarchical structures. Ignoring the…

Software Engineering · Computer Science 2022-11-29 Yixiao Yang

Reasoning, the process of devising and executing complex goal-oriented action sequences, remains a critical challenge in AI. Current large language models (LLMs) primarily employ Chain-of-Thought (CoT) techniques, which suffer from brittle…

Artificial Intelligence · Computer Science 2025-08-05 Guan Wang , Jin Li , Yuhao Sun , Xing Chen , Changling Liu , Yue Wu , Meng Lu , Sen Song , Yasin Abbasi Yadkori

Understanding how explicit theoretical features are encoded in opaque neural systems is a central challenge now common to neuroscience and AI. We introduce Metric Learning Encoding Models (MLEMs) to address this challenge most directly as a…

Computation and Language · Computer Science 2025-11-17 Louis Jalouzot , Christophe Pallier , Emmanuel Chemla , Yair Lakretz

Understanding the intricate interplay among sequence, structure, and function remains a fundamental challenge in proteomics. The sequence-structure-function paradigm posits that biological roles are governed by the tertiary geometric…

Biomolecules · Quantitative Biology 2026-05-14 Hongwang Xiao , Wenjun Lin , Xi Chen , Hui Wang , Kai Chen , Jiashan Li , Yuancheng Sun , Sicheng Dai , Boya Wu , Qiwei Ye

Modeling genomic sequences faces two unsolved challenges: the information density varies widely across different regions, while there is no clearly defined minimum vocabulary unit. Relying on either four primitive bases or independently…

Genomics · Quantitative Biology 2025-11-20 Siyuan Li , Kai Yu , Anna Wang , Zicheng Liu , Chang Yu , Jingbo Zhou , Qirong Yang , Yucheng Guo , Xiaoming Zhang , Stan Z. Li

Large language models (LLMs) have shown remarkable performance in various natural language processing tasks. However, a primary constraint they face is the context limit, i.e., the maximum number of tokens they can process. Previous works…

Machine Learning · Computer Science 2024-04-17 Woomin Song , Seunghyuk Oh , Sangwoo Mo , Jaehyung Kim , Sukmin Yun , Jung-Woo Ha , Jinwoo Shin

Messenger RNA (mRNA)-based vaccines are accelerating the discovery of new drugs and revolutionizing the pharmaceutical industry. However, selecting particular mRNA sequences for vaccines and therapeutics from extensive mRNA libraries is…

Quantitative Methods · Quantitative Biology 2024-12-23 Honggen Zhang , Xiangrui Gao , June Zhang , Lipeng Lai

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base…

Artificial Intelligence · Computer Science 2025-02-04 L. I. Zablocki , L. A. Bugnon , M. Gerard , L. Di Persia , G. Stegmayer , D. H. Milone

We present HERO, a novel framework for large-scale video+language omni-representation learning. HERO encodes multimodal inputs in a hierarchical structure, where local context of a video frame is captured by a Cross-modal Transformer via…

Computer Vision and Pattern Recognition · Computer Science 2020-10-01 Linjie Li , Yen-Chun Chen , Yu Cheng , Zhe Gan , Licheng Yu , Jingjing Liu

Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data,…

Quantitative Methods · Quantitative Biology 2024-05-20 Lirong Wu , Yijun Tian , Haitao Lin , Yufei Huang , Siyuan Li , Nitesh V Chawla , Stan Z. Li

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Liuzhenghao Lv , Hao Li , Yu Wang , Zhiyuan Yan , Zijun Chen , Zongying Lin , Li Yuan , Yonghong Tian
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