What is it about?

This publication introduces ZENN, a new AI framework built on thermodynamic principles to improve learning from diverse datasets. Current AI methods often assume data is uniform, but real-world data, such as images, text, and scientific measurements, comes from multiple sources and conditions. This variability makes accurate predictions difficult. ZENN addresses this challenge by embedding thermodynamic concepts like energy and entropy into neural networks, enabling the model to capture hidden heterogeneity and uncertainty in data. We demonstrate ZENN’s effectiveness in image and text classification tasks, where it outperforms state-of-the-art methods, and in scientific applications such as reconstructing energy landscapes and predicting critical points in Invar like Fe3Pt. By combining physics and machine learning, ZENN offers a robust, interpretable approach for handling complex, multisource data.

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Why is it important?

Modern AI increasingly relies on heterogeneous data for applications such as digital twins, climate modeling, and materials discovery. Existing methods often fail to account for internal disparities, limiting accuracy and scalability. ZENN is unique because it builds AI on the foundation of thermodynamic laws, bridging two traditionally separate domains. This approach not only improves performance in machine learning tasks but also enables breakthroughs in scientific modeling, such as predicting phase transitions and negative thermal expansion. By making AI physically grounded and data-efficient, ZENN opens new possibilities for accelerating innovation across science and technology.

Perspectives

Writing this article was exciting because it represents a true fusion of physics and AI: two fields we have long been passionate about. We hope this work inspires others to think beyond conventional boundaries and explore how fundamental scientific principles can make AI smarter and more reliable. More than anything, we hope readers see this as a step toward creating interpretable, science-based AI systems that can tackle real-world complexity. Our team is actively applying ZENN to a broad range of topics including Alzheimer’s disease modeling, amyloid structures, mammogram-based cardiovascular risk, RNA expression, and climate resilience.

Zi-Kui LIU

Read the Original

This page is a summary of: ZENN: A thermodynamics-inspired computational framework for heterogeneous data–driven modeling, Proceedings of the National Academy of Sciences, January 2026, Proceedings of the National Academy of Sciences,
DOI: 10.1073/pnas.2511227122.
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