Selecting Relevant Structural Features for Glassy Dynamics by Information Imbalance
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arXiv
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866910696273346560 |
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| author | Sharma, Anand Liu, Chen Ozawa, Misaki |
| author_facet | Sharma, Anand Liu, Chen Ozawa, Misaki |
| contents | We investigate numerically the identification of relevant structural features that contribute to the dynamical heterogeneity in a model glass-forming liquid. By employing the recently proposed information imbalance technique, we select these features from a range of physically motivated descriptors. This selection process is performed in a supervised manner (using both dynamical and structural data) and an unsupervised manner (using only structural data). We then apply the selected features to predict future dynamics using a machine learning technique. Finally, we discuss the potential applications of this approach in identifying the dominant mechanisms governing the glassy slow dynamics. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2408_12705 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Selecting Relevant Structural Features for Glassy Dynamics by Information Imbalance Sharma, Anand Liu, Chen Ozawa, Misaki Soft Condensed Matter Disordered Systems and Neural Networks We investigate numerically the identification of relevant structural features that contribute to the dynamical heterogeneity in a model glass-forming liquid. By employing the recently proposed information imbalance technique, we select these features from a range of physically motivated descriptors. This selection process is performed in a supervised manner (using both dynamical and structural data) and an unsupervised manner (using only structural data). We then apply the selected features to predict future dynamics using a machine learning technique. Finally, we discuss the potential applications of this approach in identifying the dominant mechanisms governing the glassy slow dynamics. |
| title | Selecting Relevant Structural Features for Glassy Dynamics by Information Imbalance |
| topic | Soft Condensed Matter Disordered Systems and Neural Networks |
| url | https://arxiv.org/abs/2408.12705 |