We present an open-source software package, NIC-CAGE (Novel Implementation of Constrained Calculations for Automated Generation of Excitations), for predicting quantum optimal control fields in photo-excited chemical systems. Our approach utilizes newly derived analytic gradients for maximizing the transition probability (based on a norm-conserving Crank-Nicolson propagation scheme) for driving a system from a known initial quantum state to another desired state. The NIC-CAGE code is written in the MATLAB and Python programming environments to aid in its readability and general accessibility to both users and practitioners. Throughout this work, we provide several examples and outputs on a variety of different potentials, propagation times, and user-defined parameters to demonstrate the robustness of the NIC-CAGE software package. As such, the use of this predictive tool by both experimentalists and theorists could lead to further advances in both understanding and controlling the dynamics of photo-excited systems.
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A Neyman-Scott process is a special case of a Cox process. The latent and observable stochastic processes are both Poisson processes. We consider a deep Neyman-Scott process in this paper, for which the building components of a network are all Poisson processes. We develop an efficient posterior sampling via Markov chain Monte Carlo and use it for likelihood-based inference. Our method opens up room for the inference in sophisticated hierarchical point processes. We show in the experiments that more hidden Poisson processes brings better performance for likelihood fitting and events types prediction. We also compare our method with state-of-theart models for temporal real-world datasets and demonstrate competitive abilities for both data fitting and prediction, using far fewer parameters.
We present an open-source software package, NIC-CAGE (Novel Implementation of Constrained Calculations for Automated Generation of Excitations), for predicting quantum optimal control fields in photo-excited chemical systems. Our approach utilizes newly derived analytic gradients for maximizing the transition probability (based on a norm-conserving Crank-Nicolson propagation scheme) for driving a system from a known initial quantum state to another desired state. The NIC-CAGE code is written in the MATLAB and Python programming environments to aid in its readability and general accessibility to both users and practitioners. Throughout this work, we provide several examples and outputs on a variety of different potentials, propagation times, and user-defined parameters to demonstrate the robustness of the NIC-CAGE software package. As such, the use of this predictive tool by both experimentalists and theorists could lead to further advances in both understanding and controlling the dynamics of photo-excited systems.
We describe convolutional deep exponential families (CDEFs) in this paper. CDEFs are built based on deep exponential families, deep probabilistic models that capture the hierarchical dependence between latent variables. CDEFs greatly reduce the number of free parameters by tying the weights of DEFs. Our experiments show that CDEFs are able to uncover time correlations with a small amount of data.
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