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Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Data preparation, which aims to transform heterogeneous and noisy raw tables into analysis-ready data, remains a major bottleneck in data science. Recent approaches leverage large language models (LLMs) to automate data preparation from…

Databases · Computer Science 2026-02-10 Meihao Fan , Ju Fan , Yuxin Zhang , Shaolei Zhang , Xiaoyong Du , Jie Song , Peng Li , Fuxin Jiang , Tieying Zhang , Jianjun Chen

Automated generation of scientific protocols executable by robots can significantly accelerate scientific research processes. Large Language Models (LLMs) excel at Scientific Protocol Formulation Tasks (SPFT), but the evaluation of their…

Computation and Language · Computer Science 2025-04-15 Seungjun Yi , Jaeyoung Lim , Juyong Yoon

Large language models (LLMs) have fueled many intelligent web agents, but most existing ones perform far from satisfying in real-world web navigation tasks due to three factors: (1) the complexity of HTML text data (2) versatility of…

Computation and Language · Computer Science 2024-10-15 Hanyu Lai , Xiao Liu , Iat Long Iong , Shuntian Yao , Yuxuan Chen , Pengbo Shen , Hao Yu , Hanchen Zhang , Xiaohan Zhang , Yuxiao Dong , Jie Tang

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

Quantitative Methods · Quantitative Biology 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

Automated Machine Learning (AutoML) is an area of research that focuses on developing methods to generate machine learning models automatically. The idea of being able to build machine learning models with very little human intervention…

Machine Learning · Computer Science 2023-08-31 Hernan Ceferino Vazquez

Recently, large language model based (LLM-based) agents have been widely applied across various fields. As a critical part, their memory capabilities have captured significant interest from both industrial and academic communities. Despite…

Artificial Intelligence · Computer Science 2025-05-06 Zeyu Zhang , Quanyu Dai , Xu Chen , Rui Li , Zhongyang Li , Zhenhua Dong

Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…

Multiagent Systems · Computer Science 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation,…

There are already many DNA large language models, but most of them still follow traditional uses, such as extracting sequence features for classification tasks. More innovative applications of large language models, such as prompt…

Genomics · Quantitative Biology 2024-10-29 Wang Liang

As big data becomes ubiquitous across domains, and more and more stakeholders aspire to make the most of their data, demand for machine learning tools has spurred researchers to explore the possibilities of automated machine learning…

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially…

Quantitative Methods · Quantitative Biology 2022-10-18 Mingyang Hu , Fajie Yuan , Kevin K. Yang , Fusong Ju , Jin Su , Hui Wang , Fei Yang , Qiuyang Ding

Building a working mental model of a protein typically requires weeks of reading, cross-referencing crystal and predicted structures, and inspecting ligand complexes, an effort that is slow, unevenly accessible, and often requires…

Biomolecules · Quantitative Biology 2025-10-22 Carles Navarro , Mariona Torrens , Philipp Thölke , Stefan Doerr , Gianni De Fabritiis

Background:Technical systems are growing in complexity with more components and functions across various disciplines. Model-Driven Engineering (MDE) helps manage this complexity by using models as key artifacts. Domain-Specific Languages…

Software Engineering · Computer Science 2025-01-13 Simon Raedler , Luca Berardinelli , Karolin Winter , Abbas Rahimi , Stefanie Rinderle-Ma

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current…

Machine Learning · Computer Science 2019-06-20 Roshan Rao , Nicholas Bhattacharya , Neil Thomas , Yan Duan , Xi Chen , John Canny , Pieter Abbeel , Yun S. Song

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language…

Software Engineering · Computer Science 2025-04-15 Haoran Liang , Mohammad Talebi Kalaleh , Qipei Mei

Classification tasks are typically handled using Machine Learning (ML) models, which lack a balance between accuracy and interpretability. This paper introduces a new approach for classification tasks using Large Language Models (LLMs) in…

Computation and Language · Computer Science 2025-01-03 Praneeth Vadlapati

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

The field of machine learning (ML) has gained widespread adoption, leading to significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML…

Machine Learning · Computer Science 2024-02-20 Lei Zhang , Yuge Zhang , Kan Ren , Dongsheng Li , Yuqing Yang