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Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Natural language processing (NLP) is utilized in a wide range of fields, where words in text are typically transformed into feature vectors called embeddings. BioConceptVec is a specific example of embeddings tailored for biology, trained…

Computation and Language · Computer Science 2025-05-28 Hiroaki Yamagiwa , Ryoma Hashimoto , Kiwamu Arakane , Ken Murakami , Shou Soeda , Momose Oyama , Yihua Zhu , Mariko Okada , Hidetoshi Shimodaira

The proliferation of Large Language Models (LLMs) in medicine has enabled impressive capabilities, yet a critical gap remains in their ability to perform systematic, transparent, and verifiable reasoning, a cornerstone of clinical practice.…

Computation and Language · Computer Science 2025-08-04 Wenxuan Wang , Zizhan Ma , Meidan Ding , Shiyi Zheng , Shengyuan Liu , Jie Liu , Jiaming Ji , Wenting Chen , Xiang Li , Linlin Shen , Yixuan Yuan

Although pre-trained language models show good performance on various natural language processing tasks, they often rely on non-causal features and patterns to determine the outcome. For natural language inference tasks, previous results…

Computation and Language · Computer Science 2024-10-29 Heerin Yang , Sseung-won Hwang , Jungmin So

Recently, substantial progress has been made in language modeling by using deep neural networks. However, in practice, large scale neural language models have been shown to be prone to overfitting. In this paper, we present a simple yet…

Machine Learning · Computer Science 2019-09-10 Dilin Wang , Chengyue Gong , Qiang Liu

This work presents a systematic and in-depth investigation of the utility of large language models as text classifiers for biomedical article classification. The study uses several small and mid-size open source models, as well as selected…

Computation and Language · Computer Science 2026-03-13 Jakub Proboszcz , Paweł Cichosz

The parallel evolution of Large Language Models (LLMs) with advanced code-understanding capabilities and the increasing sophistication of malware presents a new frontier for cybersecurity research. This paper evaluates the efficacy of…

Cryptography and Security · Computer Science 2026-01-15 Aniesh Chawla , Udbhav Prasad

Novel deep learning architectures are increasingly being applied to biological data, including genetic sequences. These models, referred to as genomic language models (gLMs), have demonstrated impressive predictive and generative…

Machine Learning · Computer Science 2026-03-24 James R. M. Black , Moritz S. Hanke , Aaron Maiwald , Tina Hernandez-Boussard , Oliver M. Crook , Jaspreet Pannu

The impact of Transformer-based language models has been unprecedented in Natural Language Processing (NLP). The success of such models has also led to their adoption in other fields including bioinformatics. Taking this into account, this…

Machine Learning · Computer Science 2025-07-21 Nimisha Ghosh , Daniele Santoni , Debaleena Nawn , Eleonora Ottaviani , Giovanni Felici

Current language models are usually trained using a self-supervised scheme, where the main focus is learning representations at the word or sentence level. However, there has been limited progress in generating useful discourse-level…

Computation and Language · Computer Science 2021-09-13 Vladimir Araujo , Andrés Villa , Marcelo Mendoza , Marie-Francine Moens , Alvaro Soto

Increasing model size has unlocked a dazzling array of capabilities in modern language models. At the same time, even frontier models remain vulnerable to jailbreaks and prompt injections, despite concerted efforts to make them robust. As…

Machine Learning · Computer Science 2025-06-06 Nikolaus Howe , Ian McKenzie , Oskar Hollinsworth , Michał Zajac , Tom Tseng , Aaron Tucker , Pierre-Luc Bacon , Adam Gleave

As Large Language Models (LLMs) become increasingly prevalent, their generated outputs are proliferating across the web, risking a future where machine-generated content dilutes human-authored text. Since online data is the primary resource…

Computation and Language · Computer Science 2025-09-23 George Drayson , Emine Yilmaz , Vasileios Lampos

Scientific names of organisms consist of a genus name and a species epithet, with the latter often reflecting aspects such as morphology, ecology, distribution, and cultural background. Traditionally, researchers have manually labeled…

Computation and Language · Computer Science 2026-01-13 Keito Inoshita , Kota Nojiri , Haruto Sugeno , Takumi Taga

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Large Language Models (LLMs) have become integral to Software Engineering (SE), increasingly used in development workflows. However, their widespread adoption raises concerns about the presence and propagation of toxic language - harmful or…

Machine Learning · Computer Science 2026-01-21 Hao Zhuo , Yicheng Yang , Kewen Peng

In recent years, the use of large language models (LLMs) for text classification has attracted widespread attention. Despite this, the classification accuracy of LLMs has not yet universally surpassed that of smaller models. LLMs can…

Computation and Language · Computer Science 2024-12-11 Min Zeng , Caiquan Liu , Shiqi Zhang , Li Xie , Chen Sang , Xiaoxin Chen

With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientific community. Protein sequences can be modeled as language…

Machine Learning · Computer Science 2023-11-01 Seongwon Kim , Parisa Mollaei , Akshay Antony , Rishikesh Magar , Amir Barati Farimani

This work investigates the ability of open Large Language Models (LLMs) to predict citation intent through in-context learning and fine-tuning. Unlike traditional approaches relying on domain-specific pre-trained models like SciBERT, we…

Computation and Language · Computer Science 2025-11-17 Paris Koloveas , Serafeim Chatzopoulos , Thanasis Vergoulis , Christos Tryfonopoulos

Antimicrobial Resistance (AMR) is a rapidly escalating global health crisis. While genomic sequencing enables rapid prediction of resistance phenotypes, current computational methods have limitations. Standard machine learning models treat…

Machine Learning · Computer Science 2025-09-30 Md. Saiful Bari Siddiqui , Nowshin Tarannum

We propose a constraint learning schema for fine-tuning Large Language Models (LLMs) with attribute control. Given a training corpus and control criteria formulated as a sequence-level constraint on model outputs, our method fine-tunes the…

Computation and Language · Computer Science 2024-10-10 Tao Meng , Ninareh Mehrabi , Palash Goyal , Anil Ramakrishna , Aram Galstyan , Richard Zemel , Kai-Wei Chang , Rahul Gupta , Charith Peris
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