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The advancement of the Natural Language Processing field has enabled the development of language models with a great capacity for generating text. In recent years, Neuroscience has been using these models to better understand cognitive…

Neurons and Cognition · Quantitative Biology 2024-10-01 Bruno Bianchi , Alfredo Umfurer , Juan Esteban Kamienkowski

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Interest in Large Language Models (LLMs) has increased drastically since the emergence of ChatGPT and the outstanding positive societal response to the ease with which it performs tasks in Natural Language Processing (NLP). The triumph of…

Computation and Language · Computer Science 2023-04-06 Oluwatosin Ogundare , Gustavo Quiros Araya

The rapid advancement of large language models, such as the Generative Pre-trained Transformer (GPT) series, has had significant implications across various disciplines. In this study, we investigate the potential of the state-of-the-art…

Computation and Language · Computer Science 2023-09-06 Yunhao Yang , Anshul Tomar

Protein engineering seeks to identify protein sequences with optimized properties. When guided by machine learning, protein sequence generation methods can draw on prior knowledge and experimental efforts to improve this process. In this…

Quantitative Methods · Quantitative Biology 2021-05-28 Zachary Wu , Kadina E. Johnston , Frances H. Arnold , Kevin K. Yang

Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the…

Quantitative Methods · Quantitative Biology 2024-10-18 James Michels , Ramya Bandarupalli , Amin Ahangar Akbari , Thai Le , Hong Xiao , Jing Li , Erik F. Y. Hom

The fields of generative AI and transfer learning have experienced remarkable advancements in recent years especially in the domain of Natural Language Processing (NLP). Transformers have been at the heart of these advancements where the…

Computation and Language · Computer Science 2024-02-28 Majd Saleh , Stéphane Paquelet

Generative modeling for protein engineering is key to solving fundamental problems in synthetic biology, medicine, and material science. We pose protein engineering as an unsupervised sequence generation problem in order to leverage the…

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we…

Generative models, like the one in ChatGPT, are powered by their training data. The models are simply next-word predictors, based on patterns learned from vast amounts of pre-existing text. Since the first generation of GPT, it is striking…

Computation and Language · Computer Science 2026-03-03 Edwin Roland , Richard Jean So

Large Language Models (LLMs) have revo lutionized natural language processing Natural Language Processing (NLP), with Chat Generative Pre-trained Transformer (ChatGPT) standing out as a notable exampledue to its advanced capabilities and…

Computation and Language · Computer Science 2025-03-25 Azim Akhtarshenas , Afshin Dini , Navid Ayoobi

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

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

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

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing (NLP) by automating traditional labor-intensive tasks and consequently accelerated the development of computer-aided applications. As researchers…

Computation and Language · Computer Science 2025-06-24 Summra Saleem , Muhammad Nabeel Asim , Shaista Zulfiqar , Andreas Dengel

To enhance the quality of generated stories, recent story generation models have been investigating the utilization of higher-level attributes like plots or commonsense knowledge. The application of prompt-based learning with large language…

Computation and Language · Computer Science 2023-07-25 Zhuohan Xie , Trevor Cohn , Jey Han Lau

Large language models, such as the well-known ChatGPT, have brought about an unexpected revolution in the field of artificial intelligence. On the one hand, they have numerous practical applications and enormous potential still to be…

Computation and Language · Computer Science 2025-02-26 Carlos Gómez-Rodríguez

Recent advancements in the field of Natural Language Processing, particularly the development of large-scale language models that are pretrained on vast amounts of knowledge, are creating novel opportunities within the realm of Knowledge…

Computation and Language · Computer Science 2023-10-06 Anisa Rula , Jennifer D'Souza