Machine-learning-assisted design of depth-graded multilayer x-ray structure

Depth-graded multilayer structures are widely used in X-ray related applications. In this paper, we propose an optimization approach using machine learning principles to accelerate depth-graded multilayer structures design. We use Monte Carlo tree search (MCTS) to find optimal thickness for each layer in the structure that achieves maximum mean reflectivity in an angular range at a specific beam energy. We obtained 0.78 mean reflectivity in an angular range 0.4~0.55° for Cu Kα radiation using this approach. For a at top structure, we could achieve a small standard deviation of 0.016 within the same range. MCTS is an iterative design method that employs tree search with guided randomization that showed exceptional performance in computer games. MCTS expands towards the promising areas of the search space making it able to search large spaces efficiently and systematically. This approach offers flexibility for multiple design purposes without the need to data availability in advance.

[1]  Fabio Zocchi,et al.  Genetic algorithm optimization of x-ray multilayer coatings , 2004, SPIE Optics + Photonics.

[2]  Manabu Ishida,et al.  Supermirror design for Hard X-Ray Telescopes on-board Hitomi (ASTRO-H) , 2018 .

[3]  Demis Hassabis,et al.  Mastering the game of Go with deep neural networks and tree search , 2016, Nature.

[4]  Simon M. Lucas,et al.  A Survey of Monte Carlo Tree Search Methods , 2012, IEEE Transactions on Computational Intelligence and AI in Games.

[5]  Jianlin Cao,et al.  Depth-graded multilayer X-ray optics with broad angular response , 2000 .

[6]  Hideyo Kunieda,et al.  Improvements of design scheme and fabrication of the hard x-ray supermirror with broad bandwidth and flattop response , 2013, Optics & Photonics - Optical Engineering + Applications.

[7]  Eugen Wintersberger,et al.  xrayutilities: a versatile tool for reciprocal space conversion of scattering data recorded with linear and area detectors , 2013, Journal of applied crystallography.

[8]  V. V. Protopopov,et al.  X-ray multilayer mirrors with an extended angular range , 1998 .

[9]  Finn Erland Christensen,et al.  Multilayered supermirror structures for hard x-ray synchrotron and astrophysics instrumentation , 1994, Optics & Photonics.

[10]  M. Rio Advances in Computational Methods for X-Ray and Neutron Optics , 2004 .

[11]  Koji Tsuda,et al.  MDTS: automatic complex materials design using Monte Carlo tree search , 2017, Science and technology of advanced materials.

[12]  K. Tsuda,et al.  Structure prediction of boron-doped graphene by machine learning. , 2018, The Journal of chemical physics.

[13]  T. M. Dieb,et al.  Monte Carlo tree search for materials design and discovery , 2019, MRS Communications.