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We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can…

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Language modeling studies the probability distributions over strings of texts. It is one of the most fundamental tasks in natural language processing (NLP). It has been widely used in text generation, speech recognition, machine…

Computation and Language · Computer Science 2024-07-18 Chengwei Wei , Yun-Cheng Wang , Bin Wang , C. -C. Jay Kuo

Pre-trained Language Models (PLMs) are integral to many modern natural language processing (NLP) systems. Although multilingual models cover a wide range of languages, they often grapple with challenges like high inference costs and a lack…

Computation and Language · Computer Science 2024-07-19 Murtadha Ahmed , Saghir Alfasly , Bo Wen , Jamaal Qasem , Mohammed Ahmed , Yunfeng Liu

The automation of code review activities, a long-standing pursuit in software engineering, has been primarily addressed by numerous domain-specific pre-trained models. Despite their success, these models frequently demand extensive…

Software Engineering · Computer Science 2023-09-06 Junyi Lu , Lei Yu , Xiaojia Li , Li Yang , Chun Zuo

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

Recent advancements in large language models (LLMs) like ChatGPT and LLaMA show promise in medical applications, yet challenges remain in medical language comprehension. This study presents Me-LLaMA, a new medical LLM family based on…

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

Evolutionary algorithms excel in solving complex optimization problems, especially those with multiple objectives. However, their stochastic nature can sometimes hinder rapid convergence to the global optima, particularly in scenarios…

Neural and Evolutionary Computing · Computer Science 2024-05-10 Zeyi Wang , Songbai Liu , Jianyong Chen , Kay Chen Tan

Large Language Models (LLMs) excel in handling general knowledge tasks, yet they struggle with user-specific personalization, such as understanding individual emotions, writing styles, and preferences. Personalized Large Language Models…

Artificial Intelligence · Computer Science 2025-09-23 Jiahong Liu , Zexuan Qiu , Zhongyang Li , Quanyu Dai , Wenhao Yu , Jieming Zhu , Minda Hu , Menglin Yang , Tat-Seng Chua , Irwin King

Pretrained language models (PTLMs) are typically learned over a large, static corpus and further fine-tuned for various downstream tasks. However, when deployed in the real world, a PTLM-based model must deal with data distributions that…

Computation and Language · Computer Science 2022-07-20 Xisen Jin , Dejiao Zhang , Henghui Zhu , Wei Xiao , Shang-Wen Li , Xiaokai Wei , Andrew Arnold , Xiang Ren

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Large Language Models (LLMs) have achieved significant success across various NLP tasks. However, their massive computational costs limit their widespread use, particularly in real-time applications. Structured pruning offers an effective…

Machine Learning · Computer Science 2025-03-06 Shengkun Tang , Oliver Sieberling , Eldar Kurtic , Zhiqiang Shen , Dan Alistarh

With the proliferation of large pre-trained language models (PLMs), fine-tuning all model parameters becomes increasingly inefficient, particularly when dealing with numerous downstream tasks that entail substantial training and storage…

Computation and Language · Computer Science 2024-01-23 Nadav Benedek , Lior Wolf

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to improve their reasoning capabilities on complex tasks. This enables them to act as intelligent agents interacting with the real world. The recently…

Computation and Language · Computer Science 2025-03-24 Sijia Chen , Yibo Wang , Yi-Feng Wu , Qing-Guo Chen , Zhao Xu , Weihua Luo , Kaifu Zhang , Lijun Zhang

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

Recent advancements in unsupervised protein language models (ProteinLMs), like ESM-1b and ESM-2, have shown promise in different protein prediction tasks. However, these models face challenges due to their high computational demands,…

Machine Learning · Computer Science 2023-10-31 Shuang Peng , Fei Yang , Ning Sun , Sheng Chen , Yanfeng Jiang , Aimin Pan