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Over recent years, there has been a rapid development of deep learning (DL) in both industry and academia fields. However, finding the optimal hyperparameters of a DL model often needs high computational cost and human expertise. To…

Neural and Evolutionary Computing · Computer Science 2022-08-24 Nan Li , Lianbo Ma , Guo Yu , Bing Xue , Mengjie Zhang , Yaochu Jin

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Artificial Intelligence · Computer Science 2025-06-26 Junyan Cheng , Peter Clark , Kyle Richardson

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

Grammars provide a convenient and powerful mechanism to define the space of possible solutions for a range of problems. However, when used in grammatical evolution (GE), great care must be taken in the design of a grammar to ensure that the…

Neural and Evolutionary Computing · Computer Science 2022-04-18 Grant Dick , Peter A. Whigham

Software vulnerability detection is generally supported by automated static analysis tools, which have recently been reinforced by deep learning (DL) models. However, despite the superior performance of DL-based approaches over rule-based…

Software Engineering · Computer Science 2024-05-03 Yanjing Yang , Xin Zhou , Runfeng Mao , Jinwei Xu , Lanxin Yang , Yu Zhangm , Haifeng Shen , He Zhang

As content generated by Large Language Model (LLM) has grown exponentially, the ability to accurately identify and fingerprint such text has become increasingly crucial. In this work, we introduce a novel black-box approach for…

Cryptography and Security · Computer Science 2024-08-07 Dmitri Iourovitski , Sanat Sharma , Rakshak Talwar

Software languages evolve over time for reasons such as feature additions. When grammars evolve, textual instances that originally conformed to them may become outdated. While model-driven engineering provides many techniques for…

Software Engineering · Computer Science 2026-02-13 Weixing Zhang , Bowen Jiang , Yuhong Fu , Anne Koziolek , Regina Hebig , Daniel Strüber

Exploratory data analysis is a fundamental aspect of knowledge discovery that aims to find the main characteristics of a dataset. Dimensionality reduction, such as manifold learning, is often used to reduce the number of features in a…

Neural and Evolutionary Computing · Computer Science 2019-10-24 Andrew Lensen , Bing Xue , Mengjie Zhang

Machine-learning (ML) techniques have become popular in the recent years. ML techniques rely on mathematics and on software engineering. Researchers and practitioners studying best practices for designing ML application systems and software…

Software Engineering · Computer Science 2019-10-14 Hironori Washizaki , Hiromu Uchida , Foutse Khomh , Yann-Gael Gueheneuc

Algorithmic discovery has traditionally relied on human ingenuity and extensive experimentation. Here we investigate whether a prominent scientific computing algorithm, the Kalman Filter, can be discovered through an automated, data-driven,…

Neural and Evolutionary Computing · Computer Science 2025-08-26 Vasileios Saketos , Sebastian Kaltenbach , Sergey Litvinov , Petros Koumoutsakos

The massive progress of machine learning has seen its application over a variety of domains in the past decade. But how do we develop a systematic, scalable and modular strategy to validate machine-learning systems? We present, to the best…

Machine Learning · Computer Science 2019-11-07 Sakshi Udeshi , Sudipta Chattopadhyay

Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

Deep Generative Machine Learning Models (DGMs) have been growing in popularity across the design community thanks to their ability to learn and mimic complex data distributions. DGMs are conventionally trained to minimize statistical…

Machine Learning · Computer Science 2022-06-16 Lyle Regenwetter , Faez Ahmed

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Large language models have catalyzed an unprecedented wave in code generation. While achieving significant advances, they blur the distinctions between machine- and human-authored source code, causing integrity and authenticity issues of…

Software Engineering · Computer Science 2024-07-31 Yuling Shi , Hongyu Zhang , Chengcheng Wan , Xiaodong Gu

The dramatic increase of complex, multi-step, and rapidly evolving attacks in dynamic networks involves advanced cyber-threat detectors. The GPML (Graph Processing for Machine Learning) library addresses this need by transforming raw…

Machine Learning · Computer Science 2025-05-15 Majed Jaber , Julien Michel , Nicolas Boutry , Pierre Parrend

Game Description Language (GDL) provides a standardized way to express diverse games in a machine-readable format, enabling automated game simulation, and evaluation. While previous research has explored game description generation using…

Artificial Intelligence · Computer Science 2025-01-23 Tsunehiko Tanaka , Edgar Simo-Serra

Procedural content generation via Machine Learning (PCGML) is the umbrella term for approaches that generate content for games via machine learning. One of the benefits of PCGML is that, unlike search or grammar-based PCG, it does not…

Artificial Intelligence · Computer Science 2018-09-26 Matthew Guzdial , Joshua Reno , Jonathan Chen , Gillian Smith , Mark Riedl

Anti-patterns are poor solutions to recurring design problems. Number of empirical studies have highlighted the negative impact of anti-patterns on software maintenance which motivated the development of various detection techniques. Most…

Software Engineering · Computer Science 2019-10-18 Antoine Barbez , Foutse Khomh , Yann-Gaël Guéhéneuc

This dissertation presents an evaluation of several language models on software defect datasets. A language Model (LM) "can provide word representation and probability indication of word sequences as the core component of an NLP system."…

Software Engineering · Computer Science 2019-09-24 Kailun Wang