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In this paper, we explore the use of generative artificial intelligence (GenAI) for ship propeller design. While traditional forward machine learning models predict the performance of mechanical components based on given design parameters,…

Machine Learning · Computer Science 2026-01-30 Patrick Kruger , Rafael Diaz , Simon Hauschulz , Stefan Harries , Hanno Gottschalk

Background: Elucidating gene regulatory networks is crucial for understanding normal cell physiology and complex pathologic phenotypes. Existing computational methods for the genome-wide ``reverse engineering'' of such networks have been…

Current pre-training works in natural language generation pay little attention to the problem of exposure bias on downstream tasks. To address this issue, we propose an enhanced multi-flow sequence to sequence pre-training and fine-tuning…

Computation and Language · Computer Science 2020-06-09 Dongling Xiao , Han Zhang , Yukun Li , Yu Sun , Hao Tian , Hua Wu , Haifeng Wang

Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules,…

Machine Learning · Computer Science 2025-03-21 Shuai Guo , Jielei Chu , Lin Ma , Zhaoyu Li , Tianrui Li

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…

Computer Vision and Pattern Recognition · Computer Science 2017-03-07 Lingxi Xie , Alan Yuille

Large language models (LLMs) and retrieval-augmented generation (RAG) techniques have revolutionized traditional information access, enabling AI agent to search and summarize information on behalf of users during dynamic dialogues. Despite…

Information Retrieval · Computer Science 2024-09-04 Yunxiao Shi , Min Xu , Haimin Zhang , Xing Zi , Qiang Wu

Cellular phenotypes are determined by the dynamical activity of networks of co-regulated genes. Elucidating such networks is crucial for the understanding of normal cell physiology as well as for the dissection of complex pathologic…

Molecular Networks · Quantitative Biology 2007-05-23 Kai Wang , Nilanjana Banerjee , Adam Margolin , Ilya Nemenman , Katia Basso , Riccardo Favera , Andrea Califano

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Urban design is a multifaceted process that demands careful consideration of site-specific constraints and collaboration among diverse professionals and stakeholders. The advent of generative artificial intelligence (GenAI) offers…

Artificial Intelligence · Computer Science 2025-06-02 Mingyi He , Yuebing Liang , Shenhao Wang , Yunhan Zheng , Qingyi Wang , Dingyi Zhuang , Li Tian , Jinhua Zhao

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

Systems and Control · Computer Science 2019-05-27 Milan Češka , Jan Křetínský

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

Computational Complexity · Computer Science 2013-04-17 David Doty

MC networks are envisioned to enable synthetic information exchange between nanoscale biological entities. For many algorithm proposals in the MC research field, the question of implementation at nanoscales and in biological environments…

Emerging Technologies · Computer Science 2026-03-13 Alexander Wietfeld , Oguz Turgut , Eneritz Somoza Rodríguez , Wolfgang Kellerer

The rise of Generative AI (GenAI) has significantly impacted human-based forums like Stack Overflow, which are essential for generating high-quality data. This creates a negative feedback loop, hindering the development of GenAI systems,…

Artificial Intelligence · Computer Science 2025-06-10 Boaz Taitler , Omer Ben-Porat

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

Agentic AI networking (AgentNet) is a novel AI-native networking paradigm that relies on a large number of specialized AI agents to collaborate and coordinate for autonomous decision-making, dynamic environmental adaptation, and complex…

Artificial Intelligence · Computer Science 2025-05-27 Yong Xiao , Haoran Zhou , Xubo Li , Yayu Gao , Guangming Shi , Ping Zhang

Network science has traditionally examined how structure determines dynamics. Here we invert this paradigm: we ask how functional dynamics and resource constraints shape network architecture. We introduce GradNet, an AI-enabled optimization…

Physics and Society · Physics 2026-03-11 Guram Mikaberidze , Beso Mikaberidze , Dane Taylor

The emergence of generative artificial intelligence (GenAI) represents not an incremental technological advance but a qualitative epistemological shift that challenges foundational assumptions of computer science. Whereas machine learning…

Artificial Intelligence · Computer Science 2026-02-10 Ilya Levin

In wireless networks, applying deep learning models to solve matching problems between different entities has become a mainstream and effective approach. However, the complex network topology in 6G multiple access presents significant…

Networking and Internet Architecture · Computer Science 2024-11-08 Xudong Wang , Hongyang Du , Dusit Niyato , Lijie Zhou , Lei Feng , Zhixiang Yang , Fanqin Zhou , Wenjing Li
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