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RuleBuilder is a tool for drawing graphs that can be represented by the BioNetGen language (BNGL), which is used to formulate mathematical, rule-based models of biochemical systems. BNGL provides an intuitive plain-text, or string,…

Quantitative Methods · Quantitative Biology 2018-03-15 Ryan Suderman , G. Matthew Fricke , William S. Hlavacek

Nowadays machine learning (ML) practitioners have access to numerous ML libraries available online. Such libraries can be used to create ML pipelines that consist of a series of steps where each step may invoke up to several ML libraries…

Traditional requirements engineering tools do not readily access the SysML-defined system architecture model, often resulting in ad-hoc duplication of model elements that lacks the connectivity and expressive detail possible in a…

Systems and Control · Electrical Eng. & Systems 2024-02-22 James S. Wheaton , Daniel R. Herber

Automated Machine Learning (AutoML) is an area of research that focuses on developing methods to generate machine learning models automatically. The idea of being able to build machine learning models with very little human intervention…

Machine Learning · Computer Science 2023-08-31 Hernan Ceferino Vazquez

We present WebGLM, a web-enhanced question-answering system based on the General Language Model (GLM). Its goal is to augment a pre-trained large language model (LLM) with web search and retrieval capabilities while being efficient for…

Computation and Language · Computer Science 2023-06-14 Xiao Liu , Hanyu Lai , Hao Yu , Yifan Xu , Aohan Zeng , Zhengxiao Du , Peng Zhang , Yuxiao Dong , Jie Tang

The use of chatbots has spread, generating great interest in the industry for the possibility of automating tasks within the execution of their processes. The implementation of chatbots, however simple, is a complex endeavor that involves…

Software Engineering · Computer Science 2021-09-03 Bedilia Estrada-Torres , Adela del-Río-Ortega , Manuel Resinas

The online emergence of multi-modal sharing platforms (eg, TikTok, Youtube) is powering personalized recommender systems to incorporate various modalities (eg, visual, textual and acoustic) into the latent user representations. While…

Information Retrieval · Computer Science 2023-07-19 Wei Wei , Chao Huang , Lianghao Xia , Chuxu Zhang

In the past decade, the modeling community has produced many feature-rich modeling editors and tool prototypes not only for modeling standards but particularly also for many domain-specific languages. More recently, however, web-based…

Software Engineering · Computer Science 2023-07-06 Dominik Bork , Philip Langer , Tobias Ortmayr

While machine-learned interatomic potentials (MLIPs) accelerate phonon dispersion calculations, merely identifying dynamical instabilities in computationally predicted materials is insufficient; automated pathways to resolve them are…

Materials Science · Physics 2026-05-01 Rogério Almeida Gouvêa , Gian-Marco Rignanese

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

Machine Learning · Computer Science 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

Background: The study of genome-scale metabolic models and their underlying networks is one of the most important fields in systems biology. The complexity of these models and their description makes the use of computational tools an…

Molecular Networks · Quantitative Biology 2012-12-03 D. Gamermann , A. Montagud , R. A. Jaime Infante , J. Triana , P. F. de Córdoba , J. F. Urchueguía

Multimodal systems, which process multiple input types such as text, audio, and images, are becoming increasingly prevalent in software systems, enabled by the huge advancements in Machine Learning. This triggers the need to easily define…

Software Engineering · Computer Science 2025-08-21 Marcos Gomez-Vazquez , Jordi Cabot

We present EasyGen, an efficient model designed to enhance multimodal understanding and generation by harnessing the capabilities of diffusion models and large language models (LLMs), Unlike existing multimodal models that predominately…

Artificial Intelligence · Computer Science 2024-05-20 Xiangyu Zhao , Bo Liu , Qijiong Liu , Guangyuan Shi , Xiao-Ming Wu

Summary: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by the scientific community, PDBImages provides a means to…

Biomolecules · Quantitative Biology 2024-01-03 Adam Midlik , Sreenath Nair , Stephen Anyango , Mandar Deshpande , David Sehnal , Mihaly Varadi , Sameer Velankar

This technical report relates Biochemical Space Language (BCSL) to Multiset rewriting systems (MRS). For a BCSL model, the semantics are defined in terms of transition systems, while for an MRS, they are defined in terms of a set of runs.…

Logic in Computer Science · Computer Science 2022-01-24 Matej Troják , David Šafránek , Luboš Brim

The availability of Large Language Models (LLMs) which can generate code, has made it possible to create tools that improve developer productivity. Integrated development environments or IDEs which developers use to write software are often…

Software Engineering · Computer Science 2024-10-23 Priyam Sahoo , Saurabh Pujar , Ganesh Nalawade , Richard Gebhardt , Louis Mandel , Luca Buratti

Large language models (LLMs) require well-crafted prompts for effective use. Prompt engineering, the process of designing prompts, is challenging, particularly for non-experts who are less familiar with AI technologies. While researchers…

Human-Computer Interaction · Computer Science 2024-01-29 Zijie J. Wang , Aishwarya Chakravarthy , David Munechika , Duen Horng Chau

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Synthetic biology brings together concepts and techniques from engineering and biology. In this field, computer-aided design (CAD) is necessary in order to bridge the gap between computational modeling and biological data. An application…

Molecular Networks · Quantitative Biology 2009-07-24 Deepak Chandran , Frank T. Bergmann , Herbert M. Sauro

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation…

Machine Learning · Computer Science 2024-10-08 Gang Liu , Michael Sun , Wojciech Matusik , Meng Jiang , Jie Chen