J. Zhao

J. Oppliger, M. Stifter, A. Rüegg et al.

Automation underpins progress across scientific and industrial disciplines. Yet, automating tasks requiring interpretation of abstract visual information remain challenging. For example, crystal alignment strongly relies on humans with the ability to comprehend diffraction patterns. Here we introduce an autonomous system that aligns single crystals without access to crystallography and diffraction theory. Using a model-free reinforcement learning framework, an agent learns to identify and navigate towards high-symmetry orientations directly from Laue diffraction patterns. Despite the absence of human supervision, the agent develops human-like strategies to achieve time-efficient alignment across different crystal symmetry classes. With this, we provide a computational framework for intelligent diffractometers. As such, our approach advances the development of automated experimental workflows in materials science.

J. Zhao, J. Li, M. Chen et al.

Functional Data Analysis (FDA) is a statistical domain developed to handle functional data characterized by high dimensionality and complex data structures. Sequential Neural Networks (SNNs) are specialized neural networks capable of processing sequence data, a fundamental aspect of functional data. Despite their great flexibility in modeling functional data, SNNs have been inadequately employed in the FDA community. One notable advantage of SNNs is the ease of implementation, making them accessible to a broad audience beyond academia. Conversely, FDA-based methodologies present challenges, particularly for practitioners outside the field, due to their intricate complexity. In light of this, we propose utilizing SNNs in FDA applications and demonstrate their effectiveness through comparative analyses against popular FDA regression models based on numerical experiments and real-world data analysis. SNN architectures allow us to surpass the limitations of traditional FDA methods, offering scalability, flexibility, and improved analytical performance. Our findings highlight the potential of SNN-based methodologies as powerful tools for data applications involving functional data.