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Keeping pace with the rapid growth of academia literature presents a significant challenge for researchers, funding bodies, and academic societies. To address the time-consuming manual effort required for scholarly discovery, we present a…

Machine Learning · Computer Science 2025-09-15 Om Vishesh , Harshad Khadilkar , Deepak Akkil

AI-assisted research is crossing a threshold: fully automated systems can now generate research papers for as little as $15, while long-horizon agents can execute experiments, draft manuscripts, and simulate critique with minimal human…

The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…

Generative AI is being leveraged to solve a variety of computer-use tasks involving desktop applications. State-of-the-art systems have focused solely on improving accuracy on leading benchmarks. However, these systems are practically…

Artificial Intelligence · Computer Science 2026-05-19 Reyna Abhyankar , Qi Qi , Yiying Zhang

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Automating science laboratories enables faster, safer, more accurate, and more reproducible execution of protocols, accelerating the discovery and testing of new materials, drugs, and more. However, setting up and running autonomous labs…

Artificial Intelligence · Computer Science 2026-05-19 Angelos Angelopoulos , James F. Cahoon , Ron Alterovitz

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

Knowledge Organization Systems (KOSs), such as term lists, thesauri, taxonomies, and ontologies, play a fundamental role in categorising, managing, and retrieving information. In the academic domain, KOSs are often adopted for representing…

Digital Libraries · Computer Science 2025-06-12 Angelo Salatino , Tanay Aggarwal , Andrea Mannocci , Francesco Osborne , Enrico Motta

Data science (DS) projects often follow a lifecycle that consists of laborious tasks for data scientists and domain experts (e.g., data exploration, model training, etc.). Only till recently, machine learning(ML) researchers have developed…

Human-Computer Interaction · Computer Science 2021-01-15 Dakuo Wang , Josh Andres , Justin Weisz , Erick Oduor , Casey Dugan

AI-powered scientific research tools are rapidly being integrated into research workflows, yet the field lacks a clear lens into how researchers use these systems in real-world settings. We present and analyze the Asta Interaction Dataset,…

Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) and artificial intelligence (AI) agents have significantly automated data…

Artificial intelligence (AI) models trained on published scientific findings have been used to invent valuable materials and targeted therapies, but they typically ignore the human scientists who continually alter the landscape of…

Artificial Intelligence · Computer Science 2023-06-05 Jamshid Sourati , James Evans

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables,…

The rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine scientific discovery. This perspective contends that progress…

Artificial Intelligence · Computer Science 2025-12-16 Karthik Duraisamy

AI scientist systems, capable of autonomously executing the full research workflow from hypothesis generation and experimentation to paper writing, hold significant potential for accelerating scientific discovery. However, the internal…

Artificial Intelligence · Computer Science 2025-12-23 Ziming Luo , Atoosa Kasirzadeh , Nihar B. Shah

Existing automated research systems operate as stateless, linear pipelines -- generating outputs without maintaining any persistent understanding of the research landscape they navigate. They process papers sequentially, propose ideas…

Artificial Intelligence · Computer Science 2026-03-27 Yunbo Long

Recent advancements in Large Language Model (LLM) agents have demonstrated remarkable potential in automatic knowledge discovery. However, rigorously evaluating an AI's capacity for knowledge discovery remains a critical challenge. Existing…

Computation and Language · Computer Science 2026-03-05 Chaoqun Yang , Xinyu Lin , Shulin Li , Wenjie Wang , Ruihan Guo , Fuli Feng , Tat-Seng Chua
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