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The control of complex laboratory instrumentation often requires significant programming expertise, creating a barrier for researchers lacking computational skills. This work explores the potential of large language models (LLMs), such as…

人工智能 · 计算机科学 2026-04-07 Yong Xie , Kexin He , Andres Castellanos-Gomez

Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants for parsing synthesis recipes from the literature, or using…

材料科学 · 物理学 2024-11-12 Davi M Fébba , Kingsley Egbo , William A. Callahan , Andriy Zakutayev

As Large Language Models (LLMs) and other AI systems evolve, robustly estimating their capabilities from inherently stochastic outputs while systematically quantifying uncertainty in these estimates becomes increasingly important. Further,…

人工智能 · 计算机科学 2025-07-15 Lennart Luettgau , Harry Coppock , Magda Dubois , Christopher Summerfield , Cozmin Ududec

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

仪器与探测器 · 物理学 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

The ability to accomplish tasks via natural language instructions is one of the most efficient forms of interaction between humans and technology. This efficiency has been translated into practical applications with generative AI tools now…

计算工程、金融与科学 · 计算机科学 2025-01-27 Yared W. Bekele

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

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…

Artificial intelligence (AI), particularly in the form of large language models (LLMs) or chatbots, has become increasingly integrated into our daily lives. In the past five years, several LLMs have been introduced, including ChatGPT by…

人机交互 · 计算机科学 2026-05-06 Mouhacine Benosman

Self-driving laboratories based on large language models promise to transform scientific discovery through general experimental automation. However, realizing this vision on precision platforms remains challenging, requiring deterministic…

应用物理 · 物理学 2026-04-07 Zhuo Diao , Kouma Matsumoto , Linfeng Hou , Masahiro Ohara , Hayato Yamashita , Masayuki Abe

Effective prompt engineering is critical to realizing the promised productivity gains of large language models (LLMs) in knowledge-intensive tasks. Yet, many users struggle to craft prompts that yield high-quality outputs, limiting the…

人机交互 · 计算机科学 2025-10-02 Niklas Gutheil , Valentin Mayer , Leopold Müller , Jörg Rommelt , Niklas Kühl

Measuring innovation often relies on context-specific proxies and on expert evaluation. Hence, empirical innovation research is often limited to settings where such data is available. We investigate how large language models (LLMs) can be…

计算与语言 · 计算机科学 2025-08-05 Robin Nowak , Patrick Figge , Carolin Haeussler

AI tools to support real world decision making must be able to build simulation models that inform their recommendations and render them interpretable. Tools that can automate aspects of modeling practice must complement human expertise,…

人工智能 · 计算机科学 2026-05-29 Sara Metcalf , William Schoenberg

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

机器学习 · 计算机科学 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

Lab::Measurement is a framework for test and measurement automatization using Perl 5. While primarily developed with applications in mesoscopic physics in mind, it is widely adaptable. Internally, a layer model is implemented. Communication…

仪器与探测器 · 物理学 2018-10-18 S. Reinhardt , C. Butschkow , S. Geissler , A. Dirnaichner , F. Olbrich , C. E. Lane , D. Schröer , A. K. Hüttel

Large Language Models (LLMs) demonstrate remarkable performance in semantic understanding and generation, yet accurately assessing their output reliability remains a significant challenge. While numerous studies have explored calibration…

人工智能 · 计算机科学 2024-12-18 Liangru Xie , Hui Liu , Jingying Zeng , Xianfeng Tang , Yan Han , Chen Luo , Jing Huang , Zhen Li , Suhang Wang , Qi He

Automating cloud configuration and deployment remains a critical challenge due to evolving infrastructures, heterogeneous hardware, and fluctuating workloads. Existing solutions lack adaptability and require extensive manual tuning, leading…

The application of Large Language Models (LLMs) for Automated Algorithm Discovery (AAD), particularly for optimisation heuristics, is an emerging field of research. This emergence necessitates robust, standardised benchmarking practices to…

软件工程 · 计算机科学 2025-04-30 Niki van Stein , Anna V. Kononova , Haoran Yin , Thomas Bäck

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

人工智能 · 计算机科学 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

This work introduces LAB (Large-scale Alignment for chatBots), a novel methodology designed to overcome the scalability challenges in the instruction-tuning phase of large language model (LLM) training. Leveraging a taxonomy-guided…

计算与语言 · 计算机科学 2024-05-01 Shivchander Sudalairaj , Abhishek Bhandwaldar , Aldo Pareja , Kai Xu , David D. Cox , Akash Srivastava

The use of large language models (LLMs) in qualitative analysis offers enhanced efficiency but raises questions about their alignment with the contextual nature of research for design (RfD). This research examines the trustworthiness of…

人机交互 · 计算机科学 2025-04-24 Joel Oksanen , Andrés Lucero , Perttu Hämäläinen
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