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Ensuring reliable data-driven decisions is crucial in domains where analytical accuracy directly impacts safety, compliance, or operational outcomes. Decision support in such domains relies on large tabular datasets, where manual analysis…

Software Engineering · Computer Science 2026-03-11 Arsham Gholamzadeh Khoee , Shuai Wang , Robert Feldt , Dhasarathy Parthasarathy , Yinan Yu

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property…

Artificial Intelligence · Computer Science 2025-04-09 Eric Wang , Samuel Schmidgall , Paul F. Jaeger , Fan Zhang , Rory Pilgrim , Yossi Matias , Joelle Barral , David Fleet , Shekoofeh Azizi

The fast-growing demands in using Large Language Models (LLMs) to tackle complex multi-step data science tasks create an emergent need for accurate benchmarking. There are two major gaps in existing benchmarks: (i) the lack of standardized,…

Artificial Intelligence · Computer Science 2026-03-02 Fan Shu , Yite Wang , Ruofan Wu , Boyi Liu , Zhewei Yao , Yuxiong He , Feng Yan

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

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

Context: Manual qualitative data analysis is time-intensive and can compromise validity and replicability, affecting analysis design, implementation, and reporting. Large Language Models (LLMs) enable human-bot collaboration in Software…

Software Engineering · Computer Science 2025-10-14 Zeeshan Rasheed , Muhammad Waseem , Aakash Ahmad , Kai-Kristian Kemell , Wang Xiaofeng , Anh Nguyen Duc , Pekka Abrahamsson

While Large Language Models (LLMs) can accelerate text-heavy tasks in alternative investment due diligence, a gap remains in their ability to accurately extract and reason over structured tabular data from complex financial spreadsheets.…

Artificial Intelligence · Computer Science 2026-03-10 Jan Ravnik , Matjaž Ličen , Felix Bührmann , Bithiah Yuan , Felix Stinson , Tanvi Singh

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second,…

Recent math benchmarks for large language models (LLMs) such as MathArena indicate that state-of-the-art reasoning models achieve impressive performance on mathematical competitions like AIME, with the leading model, Gemini-2.5-Pro,…

Recent advances in reasoning-focused large language models (LLMs) mark a shift from general LLMs toward models designed for complex decision-making, a crucial aspect in medicine. However, their performance in specialized domains like…

Large language models (LLMs) often lack specialized knowledge for complex bioinformatics applications. We present a reproducible pipeline for fine-tuning LLMs on specialized bioinformatics data, demonstrated through two use cases: PRSGPT,…

Computation and Language · Computer Science 2026-01-21 Muhammad Muneeb , David B. Ascher

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

Large Language Models (LLMs), enhanced through agent tuning, have demonstrated remarkable capabilities in Chain-of-Thought (CoT) and tool utilization, significantly surpassing the performance of standalone models. However, the multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Tianhong Gao , Yannian Fu , Weiqun Wu , Haixiao Yue , Shanshan Liu , Gang Zhang

Deep Research Agents are a prominent category of LLM-based agents. By autonomously orchestrating multistep web exploration, targeted retrieval, and higher-order synthesis, they transform vast amounts of online information into…

Computation and Language · Computer Science 2025-06-16 Mingxuan Du , Benfeng Xu , Chiwei Zhu , Xiaorui Wang , Zhendong Mao

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Artificial Intelligence · Computer Science 2025-06-26 Junyan Cheng , Peter Clark , Kyle Richardson

Strategic reasoning is a complex yet essential capability for intelligent agents. It requires Large Language Model (LLM) agents to adapt their strategies dynamically in multi-agent environments. Unlike static reasoning tasks, success in…

Computation and Language · Computer Science 2024-10-18 Yadong Zhang , Shaoguang Mao , Tao Ge , Xun Wang , Yan Xia , Man Lan , Furu Wei

Does a lexical retriever suffice as large language models (LLMs) become more capable in an agentic loop? This question naturally arises when building deep research systems. We revisit it by pairing BM25 with frontier LLMs that have better…

Information Retrieval · Computer Science 2026-05-12 Tz-Huan Hsu , Jheng-Hong Yang , Jimmy Lin

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address…