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Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

We describe a binding schema markup language (BSML) for describing data interchange between scientific codes. Such a facility is an important constituent of scientific problem solving environments (PSEs). BSML is designed to integrate with…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Alex Verstak , Naren Ramakrishnan , Layne T. Watson , Jian He , Clifford A. Shaffer , Kyung Kyoon Bae , Jing Jiang , William H. Tranter , Theodore S. Rappaport

We investigate whether chemical processes can perform in-context learning (ICL), a mode of computation typically associated with transformer architectures. ICL allows a system to infer task-specific rules from a sequence of examples without…

Disordered Systems and Neural Networks · Physics 2026-01-13 Carlos Floyd , Hector Manuel Lopez Rios , Aaron R. Dinner , Suriyanarayanan Vaikuntanathan

Spatial heterogeneity can have dramatic effects on the biochemical networks that drive cell regulation and decision-making. For this reason, a number of methods have been developed to model spatial heterogeneity and incorporated into widely…

Subcellular Processes · Quantitative Biology 2018-10-30 Jose-Juan Tapia , Ali Sinan Saglam , Jacob Czech , Robert Kuczewski , Thomas M. Bartol , Terrence J. Sejnowski , James R. Faeder

Structured reasoning over natural language inputs remains a core challenge in artificial intelligence, as it requires bridging the gap between unstructured linguistic expressions and formal logical representations. In this paper, we propose…

Artificial Intelligence · Computer Science 2025-07-14 Keying Yang , Hao Wang , Kai Yang

In this paper, we present a novel keypoint-based classification model designed to recognise British Sign Language (BSL) words within continuous signing sequences. Our model's performance is assessed using the BOBSL dataset, revealing that…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Oishi Deb , KR Prajwal , Andrew Zisserman

Large language model (LLM)-based multi-agent systems (MASs) are a recent but rapidly evolving technology with the potential to transform chemical engineering by decomposing complex workflows into teams of collaborative agents with…

Multiagent Systems · Computer Science 2025-08-12 Sophia Rupprecht , Qinghe Gao , Tanuj Karia , Artur M. Schweidtmann

This work presents an ontology-integrated large language model (LLM) framework for chemical engineering that unites structured domain knowledge with generative reasoning. The proposed pipeline aligns model training and inference with the…

Machine Learning · Computer Science 2025-12-15 Crystal Su , Kuai Yu , Jingrui Zhang , Mingyuan Shao , Daniel Bauer

Hierarchical Multiscale LSTM (Chung et al., 2016a) is a state-of-the-art language model that learns interpretable structure from character-level input. Such models can provide fertile ground for (cognitive) computational linguistics…

Computation and Language · Computer Science 2018-07-11 Ákos Kádár , Marc-Alexandre Côté , Grzegorz Chrupała , Afra Alishahi

Motivation: SBML is the most widespread language for the definition of biochemical models. Although dozens of SBML simulators are available, there is a general lack of support to the integration of SBML models within open-standard…

Molecular Networks · Quantitative Biology 2021-06-07 Filippo Maggioli , Toni Mancini , Enrico Tronci

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

Buffering architectures and policies for their efficient management constitute one of the core ingredients of a network architecture. In this work we introduce a new specification language, BASEL, that allows to express virtual buffering…

Networking and Internet Architecture · Computer Science 2015-10-15 Kirill Kogan , Danushka Menikkumbura , Gustavo Petri , Youngtae Noh , Sergey Nikolenko , Patrick Eugster

Scientific computation is a discipline that combines numerical analysis, physical understanding, algorithm development, and structured programming. Several yottacycles per year on the world's largest computers are spent simulating problems…

Programming Languages · Computer Science 2018-01-10 Matthew G. Knepley

Clinical Quality Language (CQL) has emerged as a standard for rule representation in Clinical Decision Support (CDS) and Electronic Clinical Quality Measurement (eCQM) in healthcare. While open-source reference implementations and a few…

Databases · Computer Science 2022-12-13 Angelo Kastroulis , Paolo Bonfini , Anastasios Litsas

Machine learning (ML) empowers biomedical systems with the capability to optimize their performance through modeling of the available data extremely well, without using strong assumptions about the modeled system. Especially in nano-scale…

Latent space is rapidly emerging as a native substrate for language-based models. While modern systems are still commonly understood through explicit token-level generation, an increasing body of work shows that many critical internal…

With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific…

Artificial Intelligence · Computer Science 2025-12-12 Yitong Zhou , Mingyue Cheng , Qingyang Mao , Yucong Luo , Qi Liu , Yupeng Li , Xiaohan Zhang , Deguang Liu , Xin Li , Enhong Chen

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

The article presents a technology for dynamic knowledge-based building of Domain-Specific Languages (DSL) to describe data-intensive scientific discovery tasks using BigData technology. The proposed technology supports high level abstract…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-03-21 Sergey V. Kovalchuk , Artem V. Zakharchuk , Jiaqi Liao , Sergey V. Ivanov , Alexander V. Boukhanovsky

This paper is an extension to an early presented programming language, called a domain specific language. This paper extends the proposed concept with new sensors and behaviours to address real-life situations. The functionality was tested…