Research
Overview
At Ono Laboratory, we combine robotics, AI, and mathematical science to advance the automation and autonomy of experiments and measurements. In addition to autonomizing difficult experimental operations and building mathematical models that support autonomous experimentation, we carry out materials informatics research — including AI-based analysis of large-scale data from quantum-beam measurements such as synchrotron radiation and neutrons, as well as the development of physical and mathematical models for inverse materials design.
Research Themes
Autonomous Laboratory
We robotize and automate challenging materials science processes — powder handling, mixing, coating — combining robotic precision with expert tacit knowledge to build fully autonomous experimental systems.
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Mathematical Modeling for Autonomous Experimentation
We build the theoretical foundations for autonomous experimentation — Bayesian experimental design, optimal design, and optimal stopping — alongside physics-based models for optimal measurement and process control.
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Materials Informatics
We apply AI and machine learning to large-scale quantum-beam datasets to map material space and uncover hidden properties, and develop inverse design models to discover new materials from desired specifications.
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Theme 1 Autonomous Laboratory
Materials science relies on processes such as powder handling, mixing, coating, and emulsification that are common yet demand great skill. Handling unpredictable, nonlinear materials like powders and non-Newtonian fluids requires both precise robotic control and the tacit knowledge — intuition, skill, and experience — of expert practitioners. We aim to robotize and automate these challenging operations and complex processes, while studying the underlying techniques from first principles to build ultra-compact, high-speed autonomous experimental systems and fully autonomous measurement systems capable of "ultimate mixing" and "ultimate grinding" beyond human ability.
Keywords
Theme 2 Mathematical Modeling for Autonomous Experimentation
What makes an experiment good? Where should we measure? When should we stop? Such judgments have traditionally relied on the experience of skilled researchers. We are building the theoretical foundations of autonomous experimentation, including Bayesian experimental design that incorporates prior knowledge, optimal experimental design for rational measurement selection, and optimal stopping for deciding when to end an experiment. We are also developing physics-based mathematical models for optimal measurement and process control, based on the idea that automated data analysis requires mechanisms grounded in physical models.
Keywords
Related Publications
- Optimal spectroscopic measurement design: Bayesian framework for rational data acquisition Machine Learning: Science and Technology (2025)
- Automated stopping criterion for spectral measurements with active learning npj Computational Materials (2021)
- Adaptive design of an X-ray magnetic circular dichroism spectroscopy experiment with Gaussian process modelling npj Computational Materials (2018)
Theme 3 Materials Informatics
We analyze large-scale data obtained from quantum-beam measurements such as synchrotron radiation and neutrons using AI and machine learning, mapping out the landscape of material space to reveal properties that were previously invisible. Building on these insights, we also develop physical and mathematical models for inverse design — working backward from desired properties to discover new materials — contributing to the creation of next-generation materials.
Keywords
Related Publications
- Enabling single-observation decomposition of multi-phase X-ray diffraction patterns via generative deep learning npj Computational Materials (2026)
- Bridging Text and Crystal Structures: Literature-driven Contrastive Learning for Materials Science Machine Learning: Science and Technology (2025)
- Neural structure fields with application to crystal structure autoencoders Communications Materials (2023)
Introduction video on Autonomous Laboratory by the Kansai Startup Academia Coalition (KSAC)
Ongoing Projects
- NIMS › Research Center for Magnetic and Spintronic Materials › Digital Transformation Initiative Center for Magnetic Materials (DXMag)
- NEDO International Joint Research
- Numerous joint research projects with private companies
Past Projects
- JST › Mirai Program › Materials Exploration space Extension Platform (MEEP)
- Cabinet Office / JST › Moonshot Research and Development Program › AI & Robots that Harmonize with Humans to Create Knowledge and Cross Its Borders
- KAKENHI › Grant-in-Aid for Transformative Research Areas (A) › Establishing Data Descriptive Science and Its Cross-disciplinary Applications
- JST › Mirai Program › Multiscale Multimodal Materials Structure Analysis System
- MEXT › Elements Strategy Initiative › Elements Strategy Initiative Center for Magnetic Materials (ESICMM)
- JST › Collaborative Research Based on Industrial Demand Program › High Performance Magnets: Towards Innovative Development of Next Generation Magnets › "Study on the Coercivity of Permanent Magnets via Magnetic Microstructure Visualization"
- JST › SICORP › Heusler Alloy Replacement for Iridium (HARFIR) Project
- Technology Research Association of Magnetic Materials for High-Efficiency Motors (MagHEM)