9 papers
Beyond FAIR Data: Instrument Traces for Active and Autonomous Scientific Experimentation
Sergei V. Kalinin, Boris N. Slautin, Yu Liu +1
Artificial intelligence is turning scientific instruments into active systems in which observations can determine what is measured next. We argue that this creates an additional sc…
PACE-SIMS: Checkpoint-Gated Autonomous SIMS Characterization with AI-Agent Quality Control
Anton V Ievlev, Heather Hare, Yiyang Li +1
Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is widely used for local chemical investigations across a broad range of materials and systems. However, its operation is…
Closed-loop discovery of out-of-distribution processing protocols by evolutionary search and uncertainty-aware learning
Yu Liu, Stanislav Udovenko, Ching-Che Lin +4
Many materials and chemical systems exhibit history-dependent responses, where functional outcomes are governed not only by final-state variables but by the time-dependent sequence…
LLM-Guided Open Hypothesis Learning from Autonomous Scanning Probe Microscopy Experiments
Boris Slautin, Utkarsh Pratiush, Yu Liu +2
Autonomous experimentation has transformed microscopy and materials discovery by enabling closed-loop optimization including imaging and spectroscopy tuning, strucutre property rel…
Mechanism-Resolved PFM of Ferroionic and Ferroelectric Responses in Thickness-Gradient Hf0.5Zr0.5O2 Libraries
Yu Liu, Yi-Xiu Chen, Haotong Liang +2
Resolving growth mechanisms and thickness evolution of functional properties is one of the key tasks in materials discovery and optimization involving thin-film materials, traditio…
Bayesian Co-Navigation of a Computational Physical Model and AFM Experiment to Autonomously Survey a Combinatorial Materials Library
Boris N. Slautin, Kamyar Barakati, Yu Liu +3
Building autonomous experiment workflows requires transcending beyond the data-driven surrogate models to incorporate and dynamically refine physical theory during exploration. Her…