Herschel Rabitz

Ofer M. Shir, Jonathan Roslund, Darrell Whitley et al.

The Covariance Matrix Adaptation Evolution Strategy (CMA-ES) has been the most successful Evolution Strategy at exploiting covariance information; it uses a form of Principle Component Analysis which, under certain conditions, is suggested to converge to the correct covariance matrix, formulated as the inverse of the mathematically well-defined Hessian matrix. However, in practice, there exist conditions where CMA-ES converges to the global optimum (accomplishing its primary goal) while it does not learn the true covariance matrix (missing an auxiliary objective), likely due to step-size deficiency. These circumstances can involve high-dimensional landscapes with large condition numbers. This paper introduces a novel technique entitled Forced Optimal Covariance Adaptive Learning (FOCAL), with the explicit goal of determining the Hessian at the global basin of attraction. It begins by introducing theoretical foundations to the inverse relationship between the learned covariance and the Hessian matrices. FOCAL is then introduced and demonstrated to retrieve the Hessian matrix with high fidelity on both model landscapes and experimental Quantum Control systems, which are observed to possess a non-separable, non-quadratic search landscape. The recovered Hessian forms are corroborated by physical knowledge of the systems. This study constitutes an example for Natural Computing successfully serving other branches of natural sciences, and introducing at the same time a powerful generic method for any high-dimensional continuous search seeking landscape information.

Hailan Ma, Zhenhong Sun, Daoyi Dong et al.

Quantum state tomography (QST) is the process of reconstructing the state of a quantum system (mathematically described as a density matrix) through a series of different measurements, which can be solved by learning a parameterized function to translate experimentally measured statistics into physical density matrices. However, the specific structure of quantum measurements for characterizing a quantum state has been neglected in previous work. In this paper, we explore the similarity between highly structured sentences in natural language and intrinsically structured measurements in QST. To fully leverage the intrinsic quantum characteristics involved in QST, we design a quantum-aware transformer (QAT) model to capture the complex relationship between measured frequencies and density matrices. In particular, we query quantum operators in the architecture to facilitate informative representations of quantum data and integrate the Bures distance into the loss function to evaluate quantum state fidelity, thereby enabling the reconstruction of quantum states from measured data with high fidelity. Extensive simulations and experiments (on IBM quantum computers) demonstrate the superiority of the QAT in reconstructing quantum states with favorable robustness against experimental noise.

Ofer M. Shir, Xi Xing, Herschel Rabitz

This paper introduces a multi-level (m-lev) mechanism into Evolution Strategies (ESs) in order to address a class of global optimization problems that could benefit from fine discretization of their decision variables. Such problems arise in engineering and scientific applications, which possess a multi-resolution control nature, and thus may be formulated either by means of low-resolution variants (providing coarser approximations with presumably lower accuracy for the general problem) or by high-resolution controls. A particular scientific application concerns practical Quantum Control (QC) problems, whose targeted optimal controls may be discretized to increasingly higher resolution, which in turn carries the potential to obtain better control yields. However, state-of-the-art derivative-free optimization heuristics for high-resolution formulations nominally call for an impractically large number of objective function calls. Therefore, an effective algorithmic treatment for such problems is needed. We introduce a framework with an automated scheme to facilitate guided-search over increasingly finer levels of control resolution for the optimization problem, whose on-the-fly learned parameters require careful adaptation. We instantiate the proposed m-lev self-adaptive ES framework by two specific strategies, namely the classical elitist single-child (1+1)-ES and the non-elitist multi-child derandomized $(μ_W,λ)$-sep-CMA-ES. We first show that the approach is suitable by simulation-based optimization of QC systems which were heretofore viewed as too complex to address. We also present a laboratory proof-of-concept for the proposed approach on a basic experimental QC system objective.

Roberto Rey-de-Castro, Herschel Rabitz

We introduce a method for learning adversarial perturbations targeted to individual images or videos. The learned perturbations are found to be sparse while at the same time containing a high level of feature detail. Thus, the extracted perturbations allow a form of object or action recognition and provide insights into what features the studied deep neural network models consider important when reaching their classification decisions. From an adversarial point of view, the sparse perturbations successfully confused the models into misclassifying, although the perturbed samples still belonged to the same original class by visual examination. This is discussed in terms of a prospective data augmentation scheme. The sparse yet high-quality perturbations may also be leveraged for image or video compression.

Caleb Deen Bastian, Herschel Rabitz

Prediction and explanation are key objects in supervised machine learning, where predictive models are known as black boxes and explanatory models are known as glass boxes. Explanation provides the necessary and sufficient information to interpret the model output in terms of the model input. It includes assessments of model output dependence on important input variables and measures of input variable importance to model output. High dimensional model representation (HDMR), also known as the generalized functional ANOVA expansion, provides useful insight into the input-output behavior of supervised machine learning models. This article gives applications of HDMR in supervised machine learning. The first application is characterizing information leakage in ``big-data'' settings. The second application is reduced-order representation of elementary symmetric polynomials. The third application is analysis of variance with correlated variables. The last application is estimation of HDMR from kernel machine and decision tree black box representations. These results suggest HDMR to have broad utility within machine learning as a glass box representation.