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Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

This work analyzes the use of large language models (LLMs) for detecting domain generation algorithms (DGAs). We perform a detailed evaluation of two important techniques: In-Context Learning (ICL) and Supervised Fine-Tuning (SFT), showing…

Computation and Language · Computer Science 2024-11-06 Reynier Leyva La O , Carlos A. Catania , Tatiana Parlanti

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

We introduce time-to-unsafe-sampling, a novel safety measure for generative models, defined as the number of generations required by a large language model (LLM) to trigger an unsafe (e.g., toxic) response. While providing a new dimension…

Machine Learning · Computer Science 2026-02-17 Hen Davidov , Shai Feldman , Gilad Freidkin , Yaniv Romano

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Large Language Models (LLMs) are increasingly deployed for code generation in high-stakes software development, yet their limited transparency in security reasoning and brittleness to evolving vulnerability patterns raise critical…

Software Engineering · Computer Science 2026-03-03 Manisha Mukherjee , Vincent J. Hellendoorn

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

Machine Learning · Computer Science 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Protein language models (pLMs), pre-trained via causal language modeling on protein sequences, have been a promising tool for protein sequence design. In real-world protein engineering, there are many cases where the amino acids in the…

Machine Learning · Computer Science 2023-03-30 Youhan Lee , Hasun Yu

Time series modeling holds significant importance in many real-world applications and has been extensively studied. While pre-trained foundation models have made impressive strides in the fields of natural language processing (NLP) and…

Computation and Language · Computer Science 2025-02-20 Juyuan Zhang , Wei Zhu , Jiechao Gao

Large language models (LLMs) have achieved impressive results across a range of natural language processing tasks, but their potential to generate harmful content has raised serious safety concerns. Current toxicity detectors primarily rely…

Computation and Language · Computer Science 2025-10-20 Zhiqiang Kou , Junyang Chen , Xin-Qiang Cai , Ming-Kun Xie , Biao Liu , Changwei Wang , Lei Feng , Yuheng Jia , Gang Niu , Masashi Sugiyama , Xin Geng

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM…

Biomolecules · Quantitative Biology 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with…

Machine Learning · Computer Science 2025-12-09 Shuo Zhang , Jian K. Liu

With the rise of large language models (LLMs), ensuring they embody the principles of being helpful, honest, and harmless (3H), known as Human Alignment, becomes crucial. While existing alignment methods like RLHF, DPO, etc., effectively…

Computation and Language · Computer Science 2024-04-02 Shu Yang , Jiayuan Su , Han Jiang , Mengdi Li , Keyuan Cheng , Muhammad Asif Ali , Lijie Hu , Di Wang

Large Language Diffusion Models (LLDMs) exhibit comparable performance to LLMs while offering distinct advantages in inference speed and mathematical reasoning tasks.The precise and rapid generation capabilities of LLDMs amplify concerns of…

Computation and Language · Computer Science 2025-07-28 Yuanhe Zhang , Fangzhou Xie , Zhenhong Zhou , Zherui Li , Hao Chen , Kun Wang , Yufei Guo

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

In this paper, we introduce a novel technique for content safety and prompt injection classification for Large Language Models. Our technique, Layer Enhanced Classification (LEC), trains a Penalized Logistic Regression (PLR) classifier on…

Computation and Language · Computer Science 2024-12-19 Mason Sawtell , Tula Masterman , Sandi Besen , Jim Brown

In recent years, Large Language Models (LLMs) have emerged as a prominent area of interest across various research domains, including Process Mining (PM). Current applications in PM have predominantly centered on prompt engineering…

Computation and Language · Computer Science 2025-09-04 Rafael Seidi Oyamada , Jari Peeperkorn , Jochen De Weerdt , Johannes De Smedt
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