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The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

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To facilitate flexible and efficient structural bioinformatics analyses, new functionality for three-dimensional structure processing and analysis has been introduced into PyCogent -- a popular feature-rich framework for sequence-based…

Biomolecules · Quantitative Biology 2018-10-01 Marcin Cieslik , Zygmunt Derewenda , Cameron Mura

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…

Human-Computer Interaction · Computer Science 2025-10-02 Niklas Gutheil , Valentin Mayer , Leopold Müller , Jörg Rommelt , Niklas Kühl

Python has become the programming language of choice for research and industry projects related to data science, machine learning, and deep learning. Since optimization is an inherent part of these research fields, more optimization related…

Neural and Evolutionary Computing · Computer Science 2020-05-25 Julian Blank , Kalyanmoy Deb

Human Intelligence (HI) excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive AI Agents, enabling them to harness expert models for complex…

Artificial Intelligence · Computer Science 2023-11-06 Yingqiang Ge , Wenyue Hua , Kai Mei , Jianchao Ji , Juntao Tan , Shuyuan Xu , Zelong Li , Yongfeng Zhang

As modern FPGAs evolve to include more het- erogeneous processing elements, such as ARM cores, it makes sense to consider these devices as processors first and FPGA accelerators second. As such, the conventional FPGA develop- ment…

Software Engineering · Computer Science 2017-05-16 Andrew G. Schmidt , Gabriel Weisz , Matthew French

Finding relevant publications is important for scientists who have to cope with exponentially increasing numbers of scholarly material. Algorithms can help with this task as they help for music, movie, and product recommendations. However,…

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The amazing advances being made in the fields of machine and deep learning are a highlight of the Big Data era for both enterprise and research communities. Modern applications require resources beyond a single node's ability to provide.…

Despite the growing adoption of large language models (LLMs) in academic workflows, their capabilities remain limited in supporting high-quality scientific writing. Most existing systems are designed for general-purpose scientific text…

Computation and Language · Computer Science 2026-04-24 Nuo Chen , Andre Lin HuiKai , Jiaying Wu , Junyi Hou , Zining Zhang , Qian Wang , Xidong Wang , Bingsheng He

Large Language Models (LLMs) have advanced rapidly as tools for automating code generation in scientific research, yet their ability to interpret and use unfamiliar Python APIs for complex computational experiments remains poorly…

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Scikit-learn is a Python module integrating a wide range of state-of-the-art machine learning algorithms for medium-scale supervised and unsupervised problems. This package focuses on bringing machine learning to non-specialists using a…

Synthesis tools have seen significant success in recent times. However, past approaches often require a complete and accurate embedding of the source language in the logic of the underlying solver, an approach difficult for industrial-grade…

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The rapid expansion of scholarly publications across diverse disciplines has made it increasingly difficult to systematically evaluate how research contributes to the United Nations Sustainable Development Goals (SDGs). Domain…

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Software is one of the most powerful tools that we humans have at our disposal; it allows a skilled programmer to interact with the world in complex and profound ways. At the same time, thanks to improvements in large language models…

Artificial Intelligence (AI) models have emerged as another important audience for programming languages alongside humans and machines, as we enter the era of large language models (LLMs). LLMs can now perform well in coding competitions…

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Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of coherent…

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Difficulty replicating baselines, high computational costs, and required domain expertise create persistent barriers to clinical AI research. To address these challenges, we introduce PyHealth 2.0, an enhanced clinical deep learning toolkit…

Automated testing tools typically create test cases that are different from what human testers create. This often makes the tools less effective, the created tests harder to understand, and thus results in tools providing less support to…

Software Engineering · Computer Science 2021-03-09 Eduard Enoiu , Robert Feldt

The advent of large language models (LLMs) such as ChatGPT, PaLM, and GPT-4 has catalyzed remarkable advances in natural language processing, demonstrating human-like language fluency and reasoning capacities. This position paper introduces…

Computation and Language · Computer Science 2024-02-07 Zhixuan Chu , Yan Wang , Feng Zhu , Lu Yu , Longfei Li , Jinjie Gu

Automated unit test generation is an established research field, and mature test generation tools exist for statically typed programming languages such as Java. It is, however, substantially more difficult to automatically generate…

Software Engineering · Computer Science 2020-10-07 Stephan Lukasczyk , Florian Kroiß , Gordon Fraser