International Symposium on Frontier of Materials Science

Sergei V. KALININ

Corporate Fellow, Group Leader for Data NanoAnalytics Group

The Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831

Sergei Kalinin is a corporate fellow and a group leader at the Center for Nanophase Materials Sciences at Oak Ridge National Laboratory. He received his MS degree from Moscow State University in 1998 and Ph.D. from the University of Pennsylvania (with Dawn Bonnell) in 2002. His research presently focuses on the applications of big data and artificial intelligence methods in atomically resolved imaging by scanning transmission electron microscopy and scanning probes for applications including physics discovery and atomic fabrication, as well as mesoscopic studies of electrochemical, ferroelectric, and transport phenomena via scanning probe microscopy.
Sergei has co-authored >650 publications, with a total citation of >41,000 and an h-index of >98. He is a fellow of MRS, MSA, APS, IoP, IEEE, Foresight Institute, and AVS; a recipient of the Blavatnik Award for Physical Sciences (2018), RMS medal for Scanning Probe Microscopy (2015), Presidential Early Career Award for Scientists and Engineers (PECASE) (2009); Burton medal of Microscopy Society of America (2010); 4 R&D100 Awards (2008, 2010, 2016, and 2018); and a number of other distinctions.

“Machine Learning for Electron Microscopy:
from Learning Physics to Automated Experiments and Atomic Fabrication”

Machine learning and artificial intelligence (ML/AI) are rapidly becoming an indispensable part of physics research, with domain applications ranging from theory and materials prediction to high-throughput data analysis. However, the constantly emerging question is how to match the correlative nature of classical ML with hypothesis-driven causal nature of physical sciences. In parallel, the recent successes in applying ML/AI methods for autonomous systems from robotics through self-driving cars to organic and inorganic synthesis are generating enthusiasm for the potential of these techniques to enable automated and autonomous experiment (AE) in imaging.
In this presentation, I will discuss recent progress in machine learning applications in electron microscopy, ranging from feature extraction, learning generative physical models, and to physics discovery via active learning. The applications of classical deep learning methods in streaming image analysis are strongly affected by the out of distribution drift effects, and the approaches to minimize though are discussed. We further present invariant variational autoencoders as a method to disentangle affine distortions and rotational degrees of freedom from other latent variables in imaging and spectral data. The analysis of the latent space of autoencoders further allows establishing physically relevant transformation mechanisms. Extension of encoder approach towards establishing structure-property relationships will be illustrated on the example of plasmonic structures. I will briefly discuss the transition from correlative ML to physics discovery, incorporating prior knowledge and yielding generative physical models of observed phenomena. Finally, I illustrate transition from post-experiment data analysis to active learning process. Here, the strategies based on simple Gaussian Processes often tend to produce sub-optimal results due to the lack of prior knowledge and very simplified (via learned kernel function) representation of spatial complexity of the system. Comparatively, deep kernel learning (DKL) methods allow to realize both the exploration of complex systems towards the discovery of structure-property relationship, and enable automated experiment targeting physics (rather than simple spatial feature) discovery. The latter is illustrated via experimental discovery of the edge plasmons in STEM/EELS and 4D STEM exploration of twisted bilayer graphene structures.

Masato OKADA

Professor,
Department of Complexity Science and Engineering,
Graduate School of Frontier Sciences, The University of Tokyo

Address:5-1-5 Kashiwanoha, Kashiwa-shi, Chiba-ken 277-8561, Japan
Phone number: +81-4-7136-4085
E-mail: okada_at_edu.k.u-tokyo.ac.jp

Education:

March 1985 Bachelor, Department of Physics, Osaka City University
March 1987 Master, Department of Science Engineering, Osaka University
January 1997 Doctor of Physics, Osaka University

Award:

1993 Award of Japanese Neural Network Society
1995 Award of Japanese Neural Network Society
1996 Award of Japanese Neural Network Society
1997 Award of SICE Division of Life Engineering Technical Committee on Biological and Physiological Engineering
1998 Award of Auditory and Visual Information Research Group

Work Experience:

Apr.’87-Apr.’89 Mitsubishi Electric Corporation
Apr.’91-Sep.’96 Assistant Professor, Graduate School of Engineering Science, Osaka University
Oct.’96-Mar.’01 Research Fellow, ERATO KAWATO Dynamic Brain (Japan Science and Technology Agency)
Apr. ’01-Jun. 04 Deputy Team Leader, RIKEN Center for Brain Science Laboratory for Neural Computation and Adaptation
Jul.’04- Professor, Graduate School of Frontier Sciences , The University of Tokyo

Ryotaro ARITA

Professor,
Department of Applied Physics
School of Engineering, The University of Tokyo

Education:

Mar 1995: BSc, Dept. Physics, Univ.Tokyo
Mar 1997: MSc, Dept. Physics, Univ.Tokyo
Mar 2000: PhD, Dept. Physics, Univ.Tokyo

Professional Employment:

Jan 1999: Research Fellowship for young scientists,
Japan Society for the Promotion of Science
Apr 2000: Researcher, the Japan Research Institute, Ltd.
Oct 2000: Research Associate, Department of Physics, University of Tokyo
Oct 2004: Research Fellow of the Alexander von Humboldt Foundation,
Max-Planck Institute for Solid State Research
Apr 2006: Research Scientist, RIKEN
Apr 2007: Senior Research Scientist, RIKEN
Apr 2008: Associate Professor, Department of Applied Physics, University of Tokyo
Apr 2011: PRESTO, Japan Science and Technology Agency
Apr 2014: Team Leader, First-principles Materials Science Research Team,
RIKEN Center for Emergent Matter Science
Apr 2018: Professor, Department of Applied Physics, University of Tokyo

Awards:

Mar 2006: JDZB Science Award, The Society of Friends of the Japanese-German Center Berlin
Mar 2011: Young Scientist Award of the Physical Society of Japan
Apr 2012: The Commendation for Science and Technology by the Minister of Education,
Culture, Sports, Science and Technology, The Young Scientists’ Prize
Oct 2015: Ryogo Kubo Memorial Prize
Mar 2018: Outstanding Paper Award of the Physical Society of Japan
Nov 2018: Highly Cited Researcher in the field of Cross-Field 2018 (Clarivate Analytics)
Mar 2019: Journal of the Physical Society of Japan, Outstanding Referee
Nov 2019: Highly Cited Researcher in the field of Physics 2019 (Clarivate Analytics)
Nov 2020: Highly Cited Researcher in the field of Cross-Field 2020 (Clarivate Analytics)
Nov 2021: Highly Cited Researcher in the field of Cross-Field 2021 (Clarivate Analytics)

Oleg HECZKO

Professor,
Department of Optoelectronics and Magneto-optics
Institute of Physics, Charles University Prague

Head of Department,
Department of Magnetic Measurements and Materials
Institute of Physics, the Czech Academy of Science

Roland WIESENDANGER

Professor,
Department of Physics, University of Hamburg

Professional employment and academic education:

2003-2012 Managing Director of the Institute of Applied Physics, Hamburg University
2003-2004 Vice-Dean of the Department of Physics at Hamburg University
Since 1993 Full Professor (C4) at the University of Hamburg
1990-1992 Private Lecturer at the University of Basel, Switzerland
1990 Habilitation in Experimental Physics at the University of Basel
1987 PhD in Experimental Physics at the University of Basel (summa cum laude)
1986 Diploma in Exp. Physics at the University of Basel (with highest distinction)
1981 Abitur in Baden-Württemberg, Germany (mark: 1,0)

Honours, distinctions, scholarships, awards:

2019 Honorary Medal „De Scientia et Humanitate Optime Meritis“ of the Czech Academy of Sciences
2019 Highly Cited Researcher Award by the Web of Science Group
2018 3rd Advanced Grant of the European Research Council (ERC)
2016 Julius Springer Prize for Applied Physics (together with Prof. Xiang Zhang) 2016 Elected Member of the European Academy of Sciences (EURASC)
2015 Hamburg Science Prize of the Hamburg Academy of Sciences
2015 International Fellow of the Surface Science Society of Japan (SSSJ)
2015 Doctor Honoris Causa of Poznan University of Technology, Poland
2014 Heinrich Rohrer Grand Medal and Prize
2013 2nd Advanced Grant of the European Research Council (ERC)
2013 Elected Member of the Polish Academy of Sciences
2012 Fellow of the American Vacuum Society (AVS)
2012 Honorary Professor of Harbin Institute of Technology, China
2010 Nanotechnology Recognition Award of the American Vacuum Society (AVS) 2008 1st Advanced Grant of the European Research Council (ERC)
2008 Elected Member of the German Academy of Technical Sciences “acatech” 2005 Elected Founder Member of the Hamburg Academy of Sciences
2003 Philip Morris Research Prize (together with Dr. Matthias Bode)
2000 Elected Member of the German Academy of Sciences “Leopoldina”
1999 Karl Heinz Beckurts Prize
1992 Max Auwärter Prize
1992 Gaede Prize of the German Vacuum Society

Named Lectures:

2019 Boltzmann Lecture (University of Vienna, Austria)
2019 Nicolás Cabrera Lecture (University of Madrid, Spain)
2015 cfaed Distinguished Lecture (TU Dresden, Germany)
2013 Distinguished iNANO Lecture (University of Aarhus, Denmark)
2011 Zernike Lecture (University of Groningen, The Netherlands)
2007 Kavli Lecture (Caltech, USA)
2001 Kronig Lecture (TU Delft, The Netherlands)
1998 Kepler Lecture (University of Tübingen, Germany)

Selected professional leadership and memberships:

2006-2017 Speaker and Scientific Coordinator of the DFG Collaborative Research Center SFB 668 “Magnetism from the Single Atom to the Nanostructure”
2013 Chairman of the Otto Stern Symposium in Hamburg with 7 Nobel Prize winners
2010-2013 Chairman of the International Committee for Nanoscience and Nanotechnology
2009-2012 Speaker and Scientific Coordinator of the Hamburg Cluster of Excellence “NANOSPINTRONICS”
Since 2001 Scientific Coordinator of the Interdisciplinary Nanoscience Center Hamburg
1998-2006 Coordinator of the German Center of Competence in Nanotechnology “Nanoanalytics” (1998-2003) and “HanseNanoTec” (2003-2006) funded by the German Ministry for Education and Research
1998-2001Chairman of the Nanoscience and Technology Division of the International Union for Vacuum Science, Techniques and Applications (IUVSTA)
1996-2004 Chairman of the Nanoscience and Technology Division of the German Vacuum Society
2000 Chairman of the International NC-AFM and SPS Conferences in Hamburg
1997 Chairman of the International STM’97 Conference in Hamburg
Since 1993 Foundation and extension of the Microstructure Advanced Research Center Hamburg (MARCH)

Selected editorial activities:

2015-2016 Guest Editor of “New Journal of Physics”, Institute of Physics Publishing: Special Issue “Magnetic Skyrmions” (with A. Fert, N. Nagaosa, M. Thorwart)
2006-2010 Member of the Editorial Board of “Nanotechnology”, Institute of Physics Publ.
2005 Guest Editor of “Microscopy Research and Technique”, Wiley:
Special Issue on “Spin-Polarized Scanning Tunnelling Microscopy”
1997-present Co-Editor of the Springer Series in NanoScience and Technology (with P. Avouris, B. Bhushan, D. Bimberg, K. von Klitzing, H. Sakaki)
1995-2000 Member of the Editorial Board of “Applied Physics A”, Springer
1994 2 Special Issues on “Scanning Probe Methods in Materials Science”, Applied Physics A, Springer