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 Chowdhury, Sugata


Machine learning enabled experimental design and parameter estimation for ultrafast spin dynamics

arXiv.org Artificial Intelligence

Ever since the discovery of x-rays, considerable breakthroughs have been made using them as a probe of matter, from testing models of the atom to solving the structure of deoxyribonucleic acid (DNA). Over the last few decades with the proliferation of synchrotron x-ray sources around the world, the application to many scientific fields has progressed tremendously and allowed studies of complicated structures and phenomena like protein dynamics and crystallography [1, 2], electronic structures of strongly correlated materials [3, 4], and a wide variety of elementary excitations [5, 6]. With the the development of the next generation of light sources, especially the x-ray free electron lasers (X-FEL) [7, 8], not only have discoveries accelerated, but completely novel techniques have been developed and new fields of science have emerged, such as laboratory astrophysics [9, 10, 11, 12] and single particle diffractive imaging [13, 14, 15]. Among these emerging techniques brought by X-FELs, the development of x-ray photon fluctuation spectroscopy (XPFS) holds particular relevance for condensed matter and material physics [16]. XPFS is a unique and powerful approach that opens up numerous opportunities to probe ultrafast dynamics of timescales corresponding to the µeV to meV-energy level. As the high-level coherence of the x-ray beam encodes subtle changes in the system at these timescales, XPFS is capable of investigating fluctuations of elementary excitations, such as that of the spin [17]. The fluctuation spectra collected using this method can be directly related back to correlation functions derived from Hamiltonians [18, 19], yielding invaluable experimental insights for theoretical developments and deeper understandings of the underlying physics.


Capturing dynamical correlations using implicit neural representations

arXiv.org Artificial Intelligence

The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical structure factor, S(Q, $\omega$), with inelastic neutron or x-ray scattering techniques and comparing this against a calculated dynamical model. Here, we develop an artificial intelligence framework which combines a neural network trained to mimic simulated data from a model Hamiltonian with automatic differentiation to recover unknown parameters from experimental data. We benchmark this approach on a Linear Spin Wave Theory (LSWT) simulator and advanced inelastic neutron scattering data from the square-lattice spin-1 antiferromagnet La$_2$NiO$_4$. We find that the model predicts the unknown parameters with excellent agreement relative to analytical fitting. In doing so, we illustrate the ability to build and train a differentiable model only once, which then can be applied in real-time to multi-dimensional scattering data, without the need for human-guided peak finding and fitting algorithms. This prototypical approach promises a new technology for this field to automatically detect and refine more advanced models for ordered quantum systems.