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This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

Computation and Language · Computer Science 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

Real-world arguments in text and dialogues are normally enthymemes (i.e. some of their premises and/or claims are implicit). Natural language processing (NLP) methods for handling enthymemes can potentially identify enthymemes in text but…

Computation and Language · Computer Science 2026-03-09 Xuyao Feng , Anthony Hunter

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

When prompted with a few examples and intermediate steps, large language models (LLMs) have demonstrated impressive performance in various reasoning tasks. However, prompting methods that rely on implicit knowledge in an LLM often generate…

Artificial Intelligence · Computer Science 2024-12-23 Zhaocheng Zhu , Yuan Xue , Xinyun Chen , Denny Zhou , Jian Tang , Dale Schuurmans , Hanjun Dai

A logic program is an executable specification. For example, merge sort in pure Prolog is a logical formula, yet shows creditable performance on long linked lists. But such executable specifications are a compromise: the logic is distorted…

Programming Languages · Computer Science 2015-09-29 M. H. van Emden

Reasoning about hypotheses and updating knowledge through empirical observations are central to scientific discovery. In this work, we applied logic-based machine learning methods to drive biological discovery by guiding experimentation.…

Molecular Networks · Quantitative Biology 2025-06-09 Lun Ai , Stephen H. Muggleton , Shi-Shun Liang , Geoff S. Baldwin

Induction heads are attention heads that perform inductive copying by matching patterns from earlier context and copying their continuations verbatim. As models develop induction heads, they experience a sharp drop in training loss, a…

Computation and Language · Computer Science 2026-02-11 Kerem Sahin , Sheridan Feucht , Adam Belfki , Jannik Brinkmann , Aaron Mueller , David Bau , Chris Wendler

Dependently typed lambda calculi such as the Logical Framework (LF) can encode relationships between terms in types and can naturally capture correspondences between formulas and their proofs. Such calculi can also be given a logic…

Logic in Computer Science · Computer Science 2010-05-25 Zachary Snow , David Baelde , Gopalan Nadathur

This paper formalises the concept of learning symbolic rules from multisource data in a cardiac monitoring context. Our sources, electrocardiograms and arterial blood pressure measures, describe cardiac behaviours from different viewpoints.…

Machine Learning · Computer Science 2009-02-20 Marie-Odile Cordier , Elisa Fromont , René Quiniou

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Machine learning catalyzes a revolution in chemical and biological science. However, its efficacy heavily depends on the availability of labeled data, and annotating biochemical data is extremely laborious. To surmount this data sparsity…

Machine Learning · Computer Science 2026-01-08 Fang Wu , Shuting Jin , Siyuan Li , Stan Z. Li

Deep learning has redefined the field of artificial intelligence (AI) thanks to the rise of artificial neural networks, which are architectures inspired by their neurological counterpart in the brain. Through the years, this dualism between…

Machine Learning · Computer Science 2023-02-21 Tommaso Salvatori , Yuhang Song , Thomas Lukasiewicz , Rafal Bogacz , Zhenghua Xu

Lineage tracing, the tracking of living cells as they move and divide, is a central problem in biological image analysis. Solutions, called lineage forests, are key to understanding how the structure of multicellular organisms emerges. We…

Computer Vision and Pattern Recognition · Computer Science 2017-10-03 Florian Jug , Evgeny Levinkov , Corinna Blasse , Eugene W. Myers , Bjoern Andres

The field of statistical relational learning aims at unifying logic and probability to reason and learn from data. Perhaps the most successful paradigm in the field is probabilistic logic programming: the enabling of stochastic primitives…

Machine Learning · Computer Science 2018-09-20 Stefanie Speichert , Vaishak Belle

Protein-ligand binding is the process by which a small molecule (drug or inhibitor) attaches to a target protein. Binding affinity, which characterizes the strength of biomolecular interactions, is essential for tackling diverse challenges…

The need for analysis of toxicity in new drug candidates and the requirement of doing it fast have asked the consideration of scientists towards the use of artificial intelligence tools to examine toxicity levels and to develop models to a…

Quantitative Methods · Quantitative Biology 2021-01-27 Mriganka Nath , Subhasish Goswami

Engineering information systems for scientific data analysis presents significant challenges: complex workflows requiring exploration of large solution spaces, close collaboration with domain specialists, and the need for maintainable,…

Artificial Intelligence · Computer Science 2026-03-10 Shraddha Surana , Ashwin Srinivasan , Michael Bain

Probabilistic logic programs are logic programs in which some of the facts are annotated with probabilities. This paper investigates how classical inference and learning tasks known from the graphical model community can be tackled for…

Artificial Intelligence · Computer Science 2020-02-19 Daan Fierens , Guy Van den Broeck , Joris Renkens , Dimitar Shterionov , Bernd Gutmann , Ingo Thon , Gerda Janssens , Luc De Raedt

The stabilization of macromolecules is fundamental to developing biological formulations, such as vaccines and protein therapeutics. In this study, we employ coarse grained polymer models to investigate the impact of four sugars:…

Soft Condensed Matter · Physics 2025-11-26 Praveen Muralikrishnan , Jonathan W. P. Zajac , Caryn L. Heldt , Sarah L. Perry , Sapna Sarupria

The behaviour of molecules in space is to a large extent governed by where they freeze out or sublimate. The molecular binding energy is thus an important parameter for many astrochemical studies. This parameter is usually determined with…

Astrophysics of Galaxies · Physics 2022-10-05 Torben Villadsen , Niels F. W. Ligterink , Mie Andersen
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