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Many environmental remediation and energy applications (conversion and storage) for sustainability need design and development of green novel materials. Discovery processes of such novel materials are time taking and cumbersome due to large…

Materials Science · Physics 2023-11-21 Sudarson Roy Pratihar , Deepesh Pai , Manaswita Nag

Deep learning models trained to optimize average accuracy often exhibit systematic failures on particular subpopulations. In real world settings, the subpopulations most affected by such disparities are frequently unlabeled or unknown,…

Machine Learning · Computer Science 2026-02-10 Abinitha Gourabathina , Hyewon Jeong , Teya Bergamaschi , Marzyeh Ghassemi , Collin Stultz

Various world model frameworks are being developed today based on autoregressive frameworks that rely on discrete representations of actions and observations, and these frameworks are succeeding in constructing interactive generative models…

Machine Learning · Computer Science 2025-03-14 Kohei Hayashi , Masanori Koyama , Julian Jorge Andrade Guerreiro

We report a new system of artificial life called Lenia (from Latin lenis "smooth"), a two-dimensional cellular automaton with continuous space-time-state and generalized local rule. Computer simulations show that Lenia supports a great…

Cellular Automata and Lattice Gases · Physics 2021-07-12 Bert Wang-Chak Chan

Artificial intelligence (AI) is rapidly emerging as an enabling tool for solving various complex materials design problems. This paper aims to review recent advances in AI-driven materials-by-design and their applications to energetic…

Materials Science · Physics 2023-05-12 Joseph B. Choi , Phong C. H. Nguyen , Oishik Sen , H. S. Udaykumar , Stephen Baek

Artificial intelligence (AI) and machine learning (ML) models in materials science are predominantly trained on ideal bulk crystals, limiting their transferability to real-world applications where surfaces, interfaces, and defects dominate.…

Materials Science · Physics 2026-03-31 Vsevolod Biryukov , Kamal Choudhary , Timur Bazhirov

With the surge in the development of large language models, embodied intelligence has attracted increasing attention. Nevertheless, prior works on embodied intelligence typically encode scene or historical memory in an unimodal manner,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Yang Liu , Xinshuai Song , Kaixuan Jiang , Weixing Chen , Jingzhou Luo , Guanbin Li , Liang Lin

Large language models (LLMs) have demonstrated technical accuracy in high-risk domains, such as mental health support and special education. However, they often fail to meet the nuanced behavioral expectations of domain experts. This gap…

Human-Computer Interaction · Computer Science 2025-09-24 Boning Zhao , Yutong Hu , Xinnuo Li

This paper presents ARYA, a composable, physics-constrained, deterministic world model architecture built on five foundational principles: nano models, composability, causal reasoning, determinism, and architectural AI safety. We…

Artificial Intelligence · Computer Science 2026-03-24 Seth Dobrin , Lukasz Chmiel

This research project investigates Lenia, an artificial life platform that simulates ecosystems of digital creatures. Lenia's ecosystem consists of simple, artificial organisms that can move, consume, grow, and reproduce. The platform is…

Neural and Evolutionary Computing · Computer Science 2023-08-11 Sanyam Jain , Aarati Shrestha , Stefano Nichele

Topologically interlocking architectures can generate tough ceramics with attractive thermo-mechanical properties. This concept can make the material design pathway a challenging task, since modeling the whole design space is neither…

Computational Engineering, Finance, and Science · Computer Science 2023-05-22 Elham Kiyani , Hamidreza Yazdani Sarvestani , Hossein Ravanbakhsh , Razyeh Behbahani , Behnam Ashrafi , Meysam Rahmat , Mikko Karttunen

The heterogeneous micromechanical properties of biological tissues have profound implications across diverse medical and engineering domains. However, identifying full-field heterogeneous elastic properties of soft materials using…

Numerical Analysis · Mathematics 2025-07-09 Wensi Wu , Mitchell Daneker , Kevin T. Turner , Matthew A. Jolley , Lu Lu

While mechanistic interpretability has developed powerful tools to analyze the internal workings of Large Language Models (LLMs), their complexity has created an accessibility gap, limiting their use to specialists. We address this…

Computation and Language · Computer Science 2026-02-23 Aaron Louis Eidt , Nils Feldhus

Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is…

Computational Engineering, Finance, and Science · Computer Science 2020-09-17 Liwei Wang , Yu-Chin Chan , Faez Ahmed , Zhao Liu , Ping Zhu , Wei Chen

In psychological support and emotional companionship scenarios, the core limitation of large language models (LLMs) lies not merely in response quality, but in their reliance on local next-token prediction, which prevents them from…

Artificial Intelligence · Computer Science 2026-03-27 Boning Zhao , Clover Hu , Xinnuo Li

Unified multimodal models for image generation and understanding represent a significant step toward AGI and have attracted widespread attention from researchers. The main challenge of this task lies in the difficulty in establishing an…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Dian Zheng , Manyuan Zhang , Hongyu Li , Kai Zou , Hongbo Liu , Ziyu Guo , Kaituo Feng , Yexin Liu , Ying Luo , Hongsheng Li

Quick interaction between a human teacher and a learning machine presents numerous benefits and challenges when working with web-scale data. The human teacher guides the machine towards accomplishing the task of interest. The learning…

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

Large Language Models (LLMs) are rapidly saturating existing benchmarks, necessitating new open-ended evaluations. We introduce the Factorio Learning Environment (FLE), based on the game of Factorio, that tests agents in long-term planning,…

Multiagent Systems · Computer Science 2025-03-14 Jack Hopkins , Mart Bakler , Akbir Khan

Interest in sustainability information has surged in recent years. However, the data required for a life cycle assessment (LCA) that maps the materials and processes from product manufacturing to disposal into environmental impacts (EI) are…

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