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Large Language Models offer new opportunities to devise automated implementation generation methods that can tackle problem solving activities beyond traditional methods, which require algorithmic specifications and can use only static…

Computation and Language · Computer Science 2025-01-06 Hashmath Shaik , Alex Doboli

Pharmaceutical process design and development for generic, innovative, or personalized drugs have always been a time-consuming, costly, rigorous process, that involves multi-stage evaluation for better quality control and assurance. Large…

Emerging Technologies · Computer Science 2025-03-24 Leqi Lin , Xingyu Zhou , Kaiyuan Yang , Xizhong Chen

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

Artificial Intelligence · Computer Science 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Generative chemical language models (CLMs) have demonstrated strong capabilities in molecular design, yet their impact in drug discovery remains limited by the absence of reliable reward signals and the lack of interpretability in their…

Machine Learning · Computer Science 2025-07-15 Lu Zhu , Emmanuel Noutahi

Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used.…

Machine Learning · Computer Science 2025-01-31 Yan Sun , Yutong Lu , Yan Yi Li , Zihao Jing , Carson K. Leung , Pingzhao Hu

This study analyzes the multiple functions of Large Language Models (LLMs) in transforming research and development (R&D) processes. By automating knowledge discovery, boosting hypothesis creation, integrating transdisciplinary insights,…

Computation and Language · Computer Science 2025-11-25 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Mahan Rofoosheh , Mohammad Zavvar

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Digital Adoption Platforms (DAPs) have become essential tools for helping employees navigate complex enterprise software such as CRM, ERP, or HRMS systems. Companies like LemonLearning have shown how digital guidance can reduce training…

Software Engineering · Computer Science 2026-05-18 Mohammed Hilel , Yannis Karmim , Jean De Bodinat , Reda Sarehane , Antoine Gillon

Recent advancements in large language models (LLMs) have demonstrated extraordinary comprehension capabilities with remarkable breakthroughs on various vision-language tasks. However, the application of LLMs in generating reliable medical…

Artificial Intelligence · Computer Science 2025-02-18 Xueshen Li , Xinlong Hou , Ziyi Huang , Yu Gan

The advancement of artificial intelligence algorithms has expanded their application to several fields such as the biomedical domain. Artificial intelligence systems, including Large Language Models (LLMs), can be particularly advantageous…

Large language models (LLMs), such as ChatGPT, have received substantial attention due to their capabilities for understanding and generating human language. While there has been a burgeoning trend in research focusing on the employment of…

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named…

Computation and Language · Computer Science 2024-10-31 Yubin Kim , Chanwoo Park , Hyewon Jeong , Yik Siu Chan , Xuhai Xu , Daniel McDuff , Hyeonhoon Lee , Marzyeh Ghassemi , Cynthia Breazeal , Hae Won Park

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

This study presents the LLM-Agent-Controller, a multi-agent large language model (LLM) system developed to address a wide range of problems in control engineering (Control Theory). The system integrates a central controller agent with…

Artificial Intelligence · Computer Science 2025-05-27 Rasoul Zahedifar , Sayyed Ali Mirghasemi , Mahdieh Soleymani Baghshah , Alireza Taheri

Process models are frequently used in software engineering to describe business requirements, guide software testing and control system improvement. However, traditional process modeling methods often require the participation of numerous…

Artificial Intelligence · Computer Science 2024-08-08 Leilei Lin , Yumeng Jin , Yingming Zhou , Wenlong Chen , Chen Qian

Neural Networks (NNs) trained through supervised learning struggle with managing edge-case scenarios common in real-world driving due to the intractability of exhaustive datasets covering all edge-cases, making knowledge-driven approaches,…

Artificial Intelligence · Computer Science 2025-04-17 Nicolas Baumann , Cheng Hu , Paviththiren Sivasothilingam , Haotong Qin , Lei Xie , Michele Magno , Luca Benini

This paper presents a Large Language Model (LLM) based conversational agent system designed to enhance human-machine collaboration in Machine Learning Operations (MLOps). We introduce the Swarm Agent, an extensible architecture that…

Artificial Intelligence · Computer Science 2025-11-11 George Fatouros , Georgios Makridis , George Kousiouris , John Soldatos , Anargyros Tsadimas , Dimosthenis Kyriazis

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Discovery of new knowledge is increasingly data-driven, predicated on a team's ability to collaboratively create, find, analyze, retrieve, and share pertinent datasets over the duration of an investigation. This is especially true in the…

Human-Computer Interaction · Computer Science 2021-10-06 Hongsuda Tangmunarunkit , Aref Shafaeibejestan , Joshua Chudy , Karl Czajkowski , Robert Schuler , Carl Kesselman