Singh Seminar Series: Zong-Yun Tsai and Eric Johnston

Beyond Trial and Error: Uncertainty-Driven Active Learning for Copolymer Mechanics

Speaker: Zong-Yun Tsai

Abstract: While computational advancements offer new avenues for targeted copolymer sequence design, the scarcity of labeled data remains a critical bottleneck. This presentation details an uncertainty-based active learning framework integrated with molecular dynamics (MD) to predict the mechanical properties of random copolymers. We demonstrate that this active learning strategy drastically streamlines the data labeling process, requiring only 40 labeled instances within a design space of 1,550 points (a 97% reduction in effort). Analysis reveals that the algorithm preferentially selects data at the design space's periphery, converting the prediction challenge into a more manageable interpolation problem. Ultimately, this approach successfully overcomes the combinatorial explosion in sequence design, showcasing the power of data science in polymer research when labeled data is limited.

About the Speaker: Zong-Yun Tsai is currently an M.S. student in the Department of Materials Science and Engineering at National Taiwan University (NTU), where he also earned his B.S. degree. Under the supervision of Prof. Chuin-Shan (David) Chen, his research focuses on integrating molecular simulations with machine learning techniques to accelerate materials design. During his time at NTU, his work has spanned predicting the mechanical properties of random copolymers using active learning, developing reactive coarse-grained models for vitrimers, and applying computer vision for structural characterization.

You Work in a Unique Region: The Genesis of OneNano in the Mid-Atlantic Nanofab Ecosystem

Speaker: Eric Johnston

Abstract: The Singh Center is at the center of the highest concentrations of Nanofabs in the country. In 2016, QNF director Noah Clay and the then etch specialist Meredith Metzler recognized the chance to form an organization to capitalize on this strategic location. My presentation will cover the founding of the current OneNano, its advantages to our users, and our plans for its future development.

About the Speaker: Eric Johnston is the Director of the Quattrone Nanofabrication Facility within the Singh Center for Nanotechnology. He has been at Penn since 1996, first as a research specialist in the Bioengineering Department, then in 2012 as a staff member in QNF. Eric’s passion is reducing roadblocks to success for users in the nanofabrication facility. He has done this through promotion of hands-on workshops, video training support, and extensive documentation. He is still actively involved in training in microfluidics fabrication.

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