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Optimization benchmarks play a fundamental role in assessing algorithm performance; however, existing artificial benchmarks often fail to capture the diversity and irregularity of real-world problem structures, while benchmarks derived from…

神经与进化计算 · 计算机科学 2026-01-26 Yuhiro Ono , Tomohiro Harada , Yukiya Miura

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

人工智能 · 计算机科学 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

Retrieval-Augmented Generation (RAG) has advanced significantly in recent years. The complexity of RAG systems, which involve multiple components-such as indexing, retrieval, and generation-along with numerous other parameters, poses…

信息检索 · 计算机科学 2025-08-08 Lorenz Brehme , Thomas Ströhle , Ruth Breu

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

计算与语言 · 计算机科学 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Research in AI using Large-Language Models (LLMs) is rapidly evolving, and the comparison of their performance with human reasoning has become a key concern. Prior studies have indicated that LLMs and humans share similar biases, such as…

计算与语言 · 计算机科学 2026-03-09 Hirohiko Abe , Risako Ando , Takanobu Morishita Kentaro Ozeki , Koji Mineshima , Mitsuhiro Okada

One popular assumption regarding biological systems is that traits have evolved to be optimized with respect to function. This is a standard goal in evolutionary computation, and while not always embraced in the biological sciences, is an…

定量方法 · 定量生物学 2014-09-16 Bradly Alicea

Retrieval-Augmented Generation (RAG) is widely employed to mitigate risks such as hallucinations and knowledge obsolescence in medical question answering, yet its predominantly single-round, static retrieval paradigm misaligns with the…

计算与语言 · 计算机科学 2026-05-19 Yongfeng Huang , Ruiying Chen , James Cheng

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

生物大分子 · 定量生物学 2024-03-05 Jeff Guo , Philippe Schwaller

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

The detection of machine-generated text, especially from large language models (LLMs), is crucial in preventing serious social problems resulting from their misuse. Some methods train dedicated detectors on specific datasets but fall short…

机器学习 · 计算机科学 2024-06-05 Yibo Miao , Hongcheng Gao , Hao Zhang , Zhijie Deng

Large Language Models (LLMs) have achieved strong performance across a wide range of natural language processing tasks in recent years, including machine translation, text generation, and question answering. As their applications extend to…

计算与语言 · 计算机科学 2025-12-30 Xin Zhang , Yang Cao , Baoxing Wu , Xinyi Chen , Kai Song , Siying Li

Large Language Models (LLMs) have demonstrated impressive capabilities across natural language processing tasks. However, their application to specialized domains such as medicine and biology requires further optimization to ensure factual…

计算与语言 · 计算机科学 2025-02-06 Seonok Kim

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG)…

人工智能 · 计算机科学 2024-09-12 Vansh Sharma , Venkat Raman

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

人工智能 · 计算机科学 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

Large Language Models (LLMs) hold significant promise for mathematics education, yet they often struggle with complex mathematical reasoning. While Retrieval-Augmented Generation (RAG) mitigates these issues by grounding LLMs in external…

计算与语言 · 计算机科学 2025-12-02 Shiting Chen , Zijian Zhao , Jinsong Chen

Large language models (LLM) hold significant potential for applications in biomedicine, but they struggle with hallucinations and outdated knowledge. While retrieval-augmented generation (RAG) is generally employed to address these issues,…

计算与语言 · 计算机科学 2025-09-23 Jiwoong Sohn , Yein Park , Chanwoong Yoon , Sihyeon Park , Hyeon Hwang , Mujeen Sung , Hyunjae Kim , Jaewoo Kang

Regardless of its foundational role in human discovery and sense-making, abductive reasoning--the inference of the most plausible explanation for an observation--has been relatively underexplored in Large Language Models (LLMs). Despite the…

Bacteriophages, often referred to as the dark matter of the biosphere, play a critical role in regulating microbial ecosystems and in antibiotic alternatives. Thus, accurate interpretation of their genomes holds significant scientific and…

计算与语言 · 计算机科学 2026-04-08 Yusen Hou , Weicai Long , Haitao Hu , Houcheng Su , Junning Feng , Yanlin Zhang

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and…

计算与语言 · 计算机科学 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Yujie Liu , Wei Li , Tong Xie , Lidong Bing , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

Dense retrieval calls for discriminative embeddings to represent the semantic relationship between query and document. It may benefit from the using of large language models (LLMs), given LLMs' strong capability on semantic understanding.…

计算与语言 · 计算机科学 2025-11-25 Zheng Liu , Chaofan Li , Shitao Xiao , Yingxia Shao , Defu Lian