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Over the last few years, more and more heuristic decision making techniques have been inspired by nature, e.g. evolutionary algorithms, ant colony optimisation and simulated annealing. More recently, a novel computational intelligence…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive…

Machine Learning · Computer Science 2024-09-25 Wangyang Ying , Dongjie Wang , Xuanming Hu , Ji Qiu , Jin Park , Yanjie Fu

The rapid advance of generative AI is reshaping the strategic vision for R&D across industries. The unique challenges of pharmaceutical R&D will see applications of generative AI deliver value along the entire value chain from early…

Quantitative Methods · Quantitative Biology 2023-12-21 Guy Doron , Sam Genway , Mark Roberts , Sai Jasti

The unbounded permutations of biological molecules, including proteins and their constituent peptides, presents a dilemma in identifying the components of complex biosamples. Sequence search algorithms used to identify peptide spectra can…

Quantitative Methods · Quantitative Biology 2023-05-17 Lewis Y. Geer , Joel Lapin , Douglas J. Slotta , Tytus D. Mak , Stephen E. Stein

Antimicrobial resistance is an emerging global health crisis that is undermining advances in modern medicine and, if unmitigated, threatens to kill 10 million people per year worldwide by 2050. Research over the last decade has demonstrated…

Quantitative Methods · Quantitative Biology 2020-09-24 K. Farquhar , H. Flohr , D. A. Charlebois

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

The immune system is a complex biological system with a highly distributed, adaptive and self-organising nature. This paper presents an Artificial Immune System (AIS) that exploits some of these characteristics and is applied to the task of…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Steve Cayzer , Uwe Aickelin

Artificial intelligence (AI) and high-performance computing (HPC) are rapidly becoming the engines of modern science. However, their joint effect on discovery has yet to be quantified at scale. Drawing on metadata from over five million…

Computers and Society · Computer Science 2025-11-18 Stefano Bianchini , Aldo Geuna , Fazliddin Shermatov

Artificial immune systems primarily mimic the adaptive nature of biological immune functions. Their ability to adapt to varying pathogens makes such systems a suitable choice for various robotic applications. Generally, AIS-based robotic…

Robotics · Computer Science 2012-02-21 Ali Raza , Benito R. Fernandez

Generating molecules, both in a directed and undirected fashion, is a huge part of the drug discovery pipeline. Genetic algorithms (GAs) generate molecules by randomly modifying known molecules. In this paper we show that GAs are very…

Neural and Evolutionary Computing · Computer Science 2023-10-16 Austin Tripp , José Miguel Hernández-Lobato

Epistemic AI accelerates biomedical discovery by finding hidden connections in the network of biomedical knowledge. The Epistemic AI web-based software platform embodies the concept of knowledge mapping, an interactive process that relies…

Artificial Intelligence · Computer Science 2022-04-04 Da Chen Emily Koo , Heather Bowling , Kenneth Ashworth , David J. Heeger , Stefano Pacifico

The Antibiotic Resistance Microbiology Dataset (ARMD) is a de-identified resource derived from electronic health records (EHR) that facilitates research in antimicrobial resistance (AMR). ARMD encompasses big data from adult patients…

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

With the rapid technological advancement, security has become a major issue due to the increase in malware activity that poses a serious threat to the security and safety of both computer systems and stakeholders. To maintain stakeholders,…

Agent-based models (ABMs) simulate complex systems by capturing the bottom-up interactions of individual agents comprising the system. Many complex systems of interest, such as epidemics or financial markets, involve thousands or even…

Properties of molecules are indicative of their functions and thus are useful in many applications. With the advances of deep learning methods, computational approaches for predicting molecular properties are gaining increasing momentum.…

Quantitative Methods · Quantitative Biology 2021-07-07 Zhengyang Wang , Meng Liu , Youzhi Luo , Zhao Xu , Yaochen Xie , Limei Wang , Lei Cai , Qi Qi , Zhuoning Yuan , Tianbao Yang , Shuiwang Ji

Advances in genomic medicine accelerate the identi cation of mutations in disease-associated genes, but the pathogenicity of many mutations remains unknown, hindering their use in diagnostics and clinical decision-making. Predictive AI…

Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…

Materials Science · Physics 2022-09-29 Cefe López

The goal is to develop a novel approach for cardiac disease prediction and diagnosis using intelligent agents. Initially the symptoms are preprocessed using filter and wrapper based agents. The filter removes the missing or irrelevant…

Multiagent Systems · Computer Science 2010-09-28 Murugesan Kuttikrishnan