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Related papers: Controllable Protein Design with Language Models

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We investigate what kind of structural knowledge learned in neural network encoders is transferable to processing natural language. We design artificial languages with structural properties that mimic natural language, pretrain encoders on…

Computation and Language · Computer Science 2022-03-23 Ryokan Ri , Yoshimasa Tsuruoka

Natural Language Processing (NLP) is revolutionising the way both professionals and laypersons operate in the legal field. The considerable potential for NLP in the legal sector, especially in developing computational assistance tools for…

Computation and Language · Computer Science 2025-12-12 Farid Ariai , Joel Mackenzie , Gianluca Demartini

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we…

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability.…

Materials Science · Physics 2023-08-03 Vadim Korolev , Pavel Protsenko

Natural language processing for programming aims to use NLP techniques to assist programming. It is increasingly prevalent for its effectiveness in improving productivity. Distinct from natural language, a programming language is highly…

Computation and Language · Computer Science 2023-08-08 Qingfu Zhu , Xianzhen Luo , Fang Liu , Cuiyun Gao , Wanxiang Che

The emergence of Large Language Models (LLMs) has achieved tremendous success in the field of Natural Language Processing owing to diverse training paradigms that empower LLMs to effectively capture intricate linguistic patterns and…

Information Retrieval · Computer Science 2024-07-04 Lemei Zhang , Peng Liu , Yashar Deldjoo , Yong Zheng , Jon Atle Gulla

We review algorithms for protein design in general. Although these algorithms have a rich combinatorial, geometric, and mathematical structure, they are almost never covered in computer science classes. Furthermore, many of these algorithms…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Mark A. Hallen , Bruce R. Donald

Reasoning is an essential component of human intelligence in that it plays a fundamental role in our ability to think critically, support responsible decisions, and solve challenging problems. Traditionally, AI has addressed reasoning in…

Artificial Intelligence · Computer Science 2025-11-17 Ha-Thanh Nguyen , Ken Satoh , Francesca Toni , Randy Goebel , Kostas Stathis

Current AI-assisted protein design mainly utilizes protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in the text format describing proteins' high-level functionalities. Yet,…

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment.…

Computation and Language · Computer Science 2023-10-03 Tianci Xue , Ziqi Wang , Heng Ji

Recent advances in Generative Artificial Intelligence, particularly Large Language Models (LLMs), have stimulated growing interest in automating or assisting Business Process Modeling tasks using natural language. Several approaches have…

Software Engineering · Computer Science 2026-04-16 João Bettencourt , Sérgio Guerreiro

The emergence of Generative Artificial Intelligence (AI) and Large Language Models (LLMs) has marked a new era of Natural Language Processing (NLP), introducing unprecedented capabilities that are revolutionizing various domains. This paper…

Computation and Language · Computer Science 2024-08-26 Desta Haileselassie Hagos , Rick Battle , Danda B. Rawat

With a focus on natural language processing (NLP) and the role of large language models (LLMs), we explore the intersection of machine learning, deep learning, and artificial intelligence. As artificial intelligence continues to…

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate protein using structural and evolutionary guidance, which only…

Quantitative Methods · Quantitative Biology 2024-12-13 Chaohao Yuan , Songyou Li , Geyan Ye , Yikun Zhang , Long-Kai Huang , Wenbing Huang , Wei Liu , Jianhua Yao , Yu Rong

Large transformer-based language models (LMs) trained on huge text corpora have shown unparalleled generation capabilities. However, controlling attributes of the generated language (e.g. switching topic or sentiment) is difficult without…

Computation and Language · Computer Science 2020-03-04 Sumanth Dathathri , Andrea Madotto , Janice Lan , Jane Hung , Eric Frank , Piero Molino , Jason Yosinski , Rosanne Liu

Natural language processing (NLP) enables the understanding and generation of meaningful human language, typically using a pre-trained complex architecture on a large dataset to learn the language and next fine-tune its weights to implement…

Computation and Language · Computer Science 2025-09-04 Yarden Tzach , Ronit D. Gross , Ella Koresh , Shalom Rosner , Or Shpringer , Tal Halevi , Ido Kanter

Deep neural networks, particularly Transformers, have been widely adopted for predicting the functional properties of proteins. In this work, we focus on exploring whether Protein Transformers can capture biological intelligence among…

Machine Learning · Computer Science 2025-06-10 Fudong Lin , Wanrou Du , Jinchan Liu , Tarikul Milon , Shelby Meche , Wu Xu , Xiaoqi Qin , Xu Yuan

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

Over the past decade, machine learning has revolutionized computers' ability to analyze text through flexible computational models. Due to their structural similarity to written language, transformer-based architectures have also shown…

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt…