arXiv Machine Learning

One-Shot Generative Design for Disordered Metamaterials via Self-Organizing Neural Cellular Automata

arXiv:2607. 14475v1 Announce Type: cross Abstract: Disordered metamaterials feature microstructures with inherent randomness and irregularity, enabling them to achieve broader property coverage and superior performance unavailable in their regular counterparts.

arXiv Machine Learning
Jul 21

Harnessing disorder to decouple extension and shear in kirigami metamaterials

arXiv:2607. 16583v1 Announce Type: cross Abstract: Kirigami turns stiff sheets into compliant, shape-morphing structures, but its reliance on periodic cut patterns comes at a cost: correlated panel rotations couple extension to shear, so stretching one axis drives a parasitic shear that cannot be suppressed, and also confine anisotropic stiffness to a narrow, discrete set of responses that cannot be tuned independently.

By Haomin Yu, Hanxun Jin, Mingxuan Bi, Mohammad Jafari, Feng Helen Long, Michael J Greenberg, Farid Alisafaei, Guy Genin
arXiv AI
Jul 29

Steering topology distributions for unified generative design of architected metamaterials

arXiv:2607. 24777v1 Announce Type: new Abstract: Architected metamaterials derive their functions from structure, creating vast opportunities to program physical responses through topology design.

By Haolin Li, Yuyang Miao, Menglei Li, Jinshuai Bai, Liyuan Wang, Xin Liu, Bo Gao, Jiantao Liu, Danilo Mandic, Zahra Sharif Khodaei, M. H. Aliabadi, Weiqiu Chen
arXiv AI
Jul 28

Physics-Guided Generative AI for Property-Targeted 3D Porous Media Design

arXiv:2607. 24274v1 Announce Type: cross Abstract: Inverse design of three-dimensional porous media is central to applications in filtration, catalysis, energy storage, fuel cells, thermal management, and biomedical scaffolds, but remains challenging because many distinct pore geometries can share similar porosity or permeability while small structural changes can strongly affect transport behaviour.

By Peng Wang
arXiv AI
Sep 15

Symmetry- and Property-Aware Crystal Generation with Reinforcement Learning for Inverse Materials Design

The paper introduces SPARC, a reinforcement learning framework that generates crystalline materials while respecting symmetry constraints essential for meaningful physical properties. SPARC is applied to two tasks: optimizing uniaxial dielectric anisotropy, which requires specific crystal classes, and maximizing spectroscopic limited maximum efficiency, a scalar objective that lets the algorithm discover suitable crystallographic motifs. The results demonstrate that symmetry is a foundational requirement for producing robust, realizable functional materials.

By Ting-Wei Hsu, Arun Bansil, Qimin Yan
arXiv Machine Learning
Jul 7

CertMix: Certified, Data-Efficient Metamaterial Design by Affine Mixing of Aligned Neural-Implicit Weight Spaces

arXiv:2607. 04123v1 Announce Type: new Abstract: Inverse design of mechanical metamaterials seeks a periodic unit cell whose homogenized elastic properties meet a prescribed target, but current learning-based methods are data-hungry, mostly interpolative, and provide no guarantee that the generated design satisfies the specification.

By Yifan Wang
arXiv AI
Jul 10

Architecture Generalization with MetaNCA

arXiv:2607. 07743v1 Announce Type: cross Abstract: Self-organization is an emergent property of life, driven by the collective behavior of individual components acting on local information.

By Meet Barot, Daniel Berenberg, Sina Khajehabdollahi
arXiv Machine Learning
Sep 25

Growth-Inspired Graph Generation and Inverse Design of Mechanical Lattices via Dot Matrices Database Augmentation and GCNN

This paper presents a morphogenetic graph‑generation framework that builds mechanical lattices by sequentially adding nodes from a discrete dot matrix, mirroring natural growth processes. The resulting 3D lattices are evaluated with finite‑element analysis and encoded as graphs, which a graph convolutional neural network (GCNN) uses to learn a topology‑property map and predict compressive stiffness. By coupling the GCNN surrogate with rapid sampling, the authors perform inverse design to achieve target stiffness values and extend the method to curved, nonlinear beams for shape‑programming applications.

By Weiyun Xu, Jiamu Liu
arXiv AI
Aug 28

The Artificial Experimentalist: Discovery and Control of Self-Organizing Phenomena with Autotelic Reinforcement Learning

The paper introduces a closed‑loop framework using autotelic reinforcement learning to explore and manipulate complex systems, specifically Lenia, a continuous cellular automaton. An agent called CARL autonomously samples diverse goals and learns a goal‑conditioned policy that intervenes with minimal, local perturbations. CARL demonstrates three key abilities: discovering stable solitons more efficiently than heuristic baselines, steering existing solitons with few interventions, and enabling humans to guide solitons through maze environments in real time via high‑level commands. The agents generalize zero‑shot to out‑of‑distribution conditions, suggesting a path toward artificial experimentalist agents that can discover and control emergent phenomena.

By Marko Cvjetko, Benedikt Hartl, Michael Levin, Cl\'ement Moulin-Frier, Pierre-Yves Oudeyer
arXiv AI
Aug 5

Self-Organising Digital Circuits

arXiv:2608. 02606v1 Announce Type: new Abstract: Fault tolerance in classical computing has traditionally relied on static strategies like hardware redundancy and error-correcting codes.

By Marcello Barylli, Gabriel B\'ena, Alexander Mordvintsev, Eleni Nisioti, Sebastian Risi
arXiv AI
4d ago

Co-PiLOT: Constrained Physics-Informed Latent Optimization for Target-Driven Inverse Design

Co-PiLOT is a latent optimization framework that maps candidate physical structures through a generative encoder-decoder, using the decoder as a learned validity prior and performing physics-informed black-box optimization in latent space. It is applied to the inverse design of magnesium alloy microstructure/texture, employing a vision transformer encoder paired with latent diffusion, diffusion transformer, and rectified-flow transformer decoders trained on an 80,000-sample EBSD dataset to produce a minimal bottleneck representation. The MERIDIAN optimizer, driven by a deep-kernel Gaussian process and failure-aware feasibility prediction, achieves the best target-driven objective score within 160 simulations, reducing relative target error by 3–22% compared to seven baseline methods.

By Mahish K. Guru, Mayank Nagar, Ayush vyas, Jan Bohlen, Roland Aydin, Noomane Ben Khalifa