We participated inthe 86th The Japan Society of Applied Physics autumn meeting 2025 ,held at Meijo University's Amashiro Campus from September 7th to September 11th, 2025.
Presentation from Matlantis
Three members of Matlantis gave poster presentations and oral presentations.
Title: Interpretation of atomic-level predictions combining PFP descriptors and Shapley values [8p-P11-6]
Presenter: Bon Cho
Abstract: In recent years, materials informatics, which uses machine learning to develop materials, has been attracting attention. However, many machine learning models are black boxes, and the basis for their predictions is unclear, hindering the acquisition of new scientific knowledge. To address this issue, this study proposes an interpretation method using atomic feature PFP descriptors and Shapley values that can be calculated from the general-purpose machine learning atomic force potential PFP.
Copyright （2025） The Japan Society of Applied Physics
The contents of this presentation have been made available as an example for Matlantis users to use.
Title: Search for Stable Structures of Magnesium-Based Titanium Nitride Using the General-Purpose Machine Learning Potential PFP[9p-S301-7]
Presenter:Yuta Aoki
Summary:Magnéli-based titanium oxynitrides are compounds obtained by substituting a certain percentage of oxygen atoms in the Magnéli phase of titanium oxides, with the total number of possible substitutions reaching tens of thousands. It is unrealistic to use first-principles calculations to screen for stable structures from this vast number of candidate structures, so in this study we performed this calculation using the general-purpose machine learning potential PFP. We also analyzed what structural features stabilize the structure.
Copyright （2025） The Japan Society of Applied Physics
There were many questions and answers, making for a lively session.
Matlantis was also introduced as a sponsored talk in the following session:
Analysis and application of Atomic Layer Process (ALP) (2) [7a-S103-1~7]
Presenter: Yusuke Asano
It was a valuable opportunity to speak directly with many people. Thank you very much!
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