PhaseXplorer Creates High-Dimensional Phase Diagrams with Closed-Loop Active Learning

Phase separation fundamentally governs material properties and cellular function on multiple organizational scales. Conventional approaches to studying this nonlinear phenomenon necessitate resource-intensive experiments. As such, investigations were limited to low-dimensional space. We present PhaseXplorer, a platform that combines microfluidics, microscopy, and machine learning to efficiently study phase separation systems. PhaseXplorer autonomously designs, generates, and analyzes samples in a closed-loop active learning workflow until an accurate phase diagram is obtained. Using an acquisition function that balances exploration and exploitation, all the phase boundaries are located with minimal sampling. A convolutional neural network executes real-time image recognition to identify microfluidic droplets and phase separation within them in less than 1 ms per droplet. PhaseXplorer standardizes analysis across experiments and does not require calibration nor extensive postexperiment analysis. We demonstrate PhaseXplorer's capabilities using a poly rA model system by creating a four-dimensional phase diagram 100 times faster than traditional methods while simultaneously consuming 10,000 times less material.

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Publication Details

Journal
ACS Nano
Published
2025-11-03
DOI
https://doi.org/10.1021/acsnano.5c07268
Primary Topic
Block Copolymer Self-Assembly
Type
article
Field-Weighted Citation Impact
0.00

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article

PhaseXplorer Creates High-Dimensional Phase Diagrams with Closed-Loop Active Learning

Stef A. H. Jansen, Nadia A. Erkamp, Jule van Basten, Tuomas P. J. Knowles et al.
ACS Nano
Block Copolymer Self-Assembly
article

PhaseXplorer Creates High-Dimensional Phase Diagrams with Closed-Loop Active Learning

Stef A. H. Jansen, Nadia A. Erkamp, Jule van Basten, Tuomas P. J. Knowles, Tom F. A. de Greef, Lasse Sander Dreyer, Daniel E. Otzen, E. W. Meijer, Yihan Yao
article en

Abstract

Phase separation fundamentally governs material properties and cellular function on multiple organizational scales. Conventional approaches to studying this nonlinear phenomenon necessitate resource-intensive experiments. As such, investigations were limited to low-dimensional space. We present PhaseXplorer, a platform that combines microfluidics, microscopy, and machine learning to efficiently study phase separation systems. PhaseXplorer autonomously designs, generates, and analyzes samples in a closed-loop active learning workflow until an accurate phase diagram is obtained. Using an acquisition function that balances exploration and exploitation, all the phase boundaries are located with minimal sampling. A convolutional neural network executes real-time image recognition to identify microfluidic droplets and phase separation within them in less than 1 ms per droplet. PhaseXplorer standardizes analysis across experiments and does not require calibration nor extensive postexperiment analysis. We demonstrate PhaseXplorer's capabilities using a poly rA model system by creating a four-dimensional phase diagram 100 times faster than traditional methods while simultaneously consuming 10,000 times less material.

ACS NanoVol. 19(45)
Aarhus University (DK), University of Cambridge (GB), UNSW Sydney (AU), Cavendish Hospital (GB), Universitas Islam Syekh Yusuf (ID), Eindhoven University of Technology (NL)
Innovationsfonden, Cambridge Trust, China Scholarship Council, Horizon 2020 Framework Programme
Openalex Percentile: Top 74%
Block Copolymer Self-Assembly
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