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Artificial Chemistries (ACs) are symbolic chemical metaphors for the exploration of Artificial Life, with specific focus on the origin of life. In this work we define a P system based artificial graph chemistry to understand the principles…

Neural and Evolutionary Computing · Computer Science 2009-01-06 Janardan Misra

We introduce MetaChem, a language for representing and implementing Artificial Chemistries. We motivate the need for modularisation and standardisation in representation of artificial chemistries. We describe a mathematical formalism for…

Emerging Technologies · Computer Science 2020-06-16 Penelope Faulkner Rainford , Angelika Sebald , Susan Stepney

Most chemical processes, such as distillation, absorption, extraction, and catalytic reactions, are extremely complex processes that are affected by multiple factors. The relationships between their input variables and output variables are…

Systems and Control · Electrical Eng. & Systems 2021-10-19 Li Sun , Fei Liang , Wutai Cui

Attributed Graph Clustering (AGC) is a fundamental unsupervised task that partitions nodes into cohesive groups by jointly modeling structural topology and node attributes. While the advent of graph neural networks and self-supervised…

Machine Learning · Computer Science 2026-03-24 Yunhui Liu , Yue Liu , Yongchao Liu , Tao Zheng , Stan Z. Li , Xinwang Liu , Tieke He

Even when concepts similar to emergence have been used since antiquity, we lack an agreed definition. However, emergence has been identified as one of the main features of complex systems. Most would agree on the statement ``life is…

General Physics · Physics 2025-12-22 Carlos Gershenson

Establishing the emergence of evolutionary behavior as a defining characteristic of 'life' is a major step in the Artificial life (ALife) studies. We present here an abstract formal framework for this aim based upon the notion of high-level…

Neural and Evolutionary Computing · Computer Science 2009-01-13 Janardan Misra

Ontologies order and interconnect knowledge of a certain field in a formal and semantic way so that they are machine-parsable. They try to define allwhere acceptable definition of concepts and objects, classify them, provide properties as…

Artificial Intelligence · Computer Science 2020-02-11 Christian Pachl , Nils Frank , Jan Breitbart , Stefan Bräse

Agentic AI prototypes are being deployed across domains with increasing speed, yet no methodology for their structured design, governance, and prospective evaluation has been established. Existing AI documentation practices and guidelines…

Software Engineering · Computer Science 2026-03-02 Sebastian Lobentanzer

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species,…

Statistical Mechanics · Physics 2024-09-06 Pratyush Tiwary , Lukas Herron , Richard John , Suemin Lee , Disha Sanwal , Ruiyu Wang

Nature has found one method of organizing living matter, but maybe other options exist -- not yet discovered -- on how to create life. To study the life "as it could be" is the objective of an interdisciplinary field called Artificial Life…

Neural and Evolutionary Computing · Computer Science 2021-10-06 Carlos Gershenson , Jitka Cejkova

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on…

Machine Learning · Statistics 2022-06-08 Jigyasa Nigam , Sergey Pozdnyakov , Guillaume Fraux , Michele Ceriotti

This paper is centered on using chemical reaction as a computational metaphor for simultaneously solving problems. An artificial chemical reactor that can simultaneously solve instances of three unrelated problems was created. The reactor…

Emerging Technologies · Computer Science 2015-06-30 Jaderick P. Pabico

Alchemy is a new meta-learning environment rich enough to contain interesting abstractions, yet simple enough to make fine-grained analysis tractable. Further, Alchemy provides an optional symbolic interface that enables meta-RL research…

Machine Learning · Computer Science 2022-08-26 Badr AlKhamissi , Akshay Srinivasan , Zeb-Kurth Nelson , Sam Ritter

Computational creativity is a subfield of AI focused on developing and studying creative systems. Few academic studies analysing the behaviour of creative agents from a theoretical viewpoint have been proposed. The proposed frameworks are…

Artificial Intelligence · Computer Science 2016-04-15 Valerio Velardo , Mauro Vallati

We present a benchmark study of autonomous, chemical agents exhibiting associative learning of an environmental feature. Associative learning has been widely studied in cognitive science and artificial intelligence, but are most commonly…

Adaptation and Self-Organizing Systems · Physics 2022-10-12 Stuart Bartlett , David Louapre

One of the main goals of Artificial Life is to research the conditions for the emergence of life, not necessarily as it is, but as it could be. Artificial Chemistries are one of the most important tools for this purpose because they provide…

Adaptation and Self-Organizing Systems · Physics 2021-12-08 Germán Kruszewski , Tomas Mikolov

Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of…

Machine Learning · Computer Science 2024-03-08 Bo Qiang , Yiran Zhou , Yuheng Ding , Ningfeng Liu , Song Song , Liangren Zhang , Bo Huang , Zhenming Liu

Managing inputs that are novel, unknown, or out-of-distribution is critical as an agent moves from the lab to the open world. Novelty-related problems include being tolerant to novel perturbations of the normal input, detecting when the…

We propose an artificial life framework aimed at facilitating the emergence of intelligent organisms. In this framework there is no explicit notion of an agent: instead there is an environment made of atomic elements. These elements contain…

Neural and Evolutionary Computing · Computer Science 2021-01-20 Karol Gregor , Frederic Besse
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