Machine learning modeling of superconducting critical temperature

Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between superconductivity and chemical/structural properties of materials. To bridge the gap, several machine learning schemes are developed herein to model the critical temperatures ($T_{\mathrm{c}}$) of the 12,000+ known superconductors available via the SuperCon database. Materials are first divided into two classes based on their $T_{\mathrm{c}}$ values, above and below 10 K, and a classification model predicting this label is trained. The model uses coarse-grained features based only on the chemical compositions. It shows strong predictive power, with out-of-sample accuracy of about 92%. Separate regression models are developed to predict the values of $T_{\mathrm{c}}$ for cuprate, iron-based, and "low-$T_{\mathrm{c}}$" compounds. These models also demonstrate good performance, with learned predictors offering potential insights into the mechanisms behind superconductivity in different families of materials. To improve the accuracy and interpretability of these models, new features are incorporated using materials data from the AFLOW Online Repositories. Finally, the classification and regression models are combined into a single integrated pipeline and employed to search the entire Inorganic Crystallographic Structure Database (ICSD) for potential new superconductors. We identify more than 30 non-cuprate and non-iron-based oxides as candidate materials.Comment: 17 pages, 7 figure

A Novel Family of Adaptive Filtering Algorithms Based on The Logarithmic Cost

We introduce a novel family of adaptive filtering algorithms based on a relative logarithmic cost. The new family intrinsically combines the higher and lower order measures of the error into a single continuous update based on the error amount. We introduce important members of this family of algorithms such as the least mean logarithmic square (LMLS) and least logarithmic absolute difference (LLAD) algorithms that improve the convergence performance of the conventional algorithms. However, our approach and analysis are generic such that they cover other well-known cost functions as described in the paper. The LMLS algorithm achieves comparable convergence performance with the least mean fourth (LMF) algorithm and extends the stability bound on the step size. The LLAD and least mean square (LMS) algorithms demonstrate similar convergence performance in impulse-free noise environments while the LLAD algorithm is robust against impulsive interferences and outperforms the sign algorithm (SA). We analyze the transient, steady state and tracking performance of the introduced algorithms and demonstrate the match of the theoretical analyzes and simulation results. We show the extended stability bound of the LMLS algorithm and analyze the robustness of the LLAD algorithm against impulsive interferences. Finally, we demonstrate the performance of our algorithms in different scenarios through numerical examples.Comment: Submitted to IEEE Transactions on Signal Processin

Motion Planning of Uncertain Ordinary Differential Equation Systems

This work presents a novel motion planning framework, rooted in nonlinear programming theory, that treats uncertain fully and under-actuated dynamical systems described by ordinary differential equations. Uncertainty in multibody dynamical systems comes from various sources, such as: system parameters, initial conditions, sensor and actuator noise, and external forcing. Treatment of uncertainty in design is of paramount practical importance because all real-life systems are affected by it, and poor robustness and suboptimal performance result if it’s not accounted for in a given design. In this work uncertainties are modeled using Generalized Polynomial Chaos and are solved quantitatively using a least-square collocation method. The computational efficiency of this approach enables the inclusion of uncertainty statistics in the nonlinear programming optimization process. As such, the proposed framework allows the user to pose, and answer, new design questions related to uncertain dynamical systems. Specifically, the new framework is explained in the context of forward, inverse, and hybrid dynamics formulations. The forward dynamics formulation, applicable to both fully and under-actuated systems, prescribes deterministic actuator inputs which yield uncertain state trajectories. The inverse dynamics formulation is the dual to the forward dynamic, and is only applicable to fully-actuated systems; deterministic state trajectories are prescribed and yield uncertain actuator inputs. The inverse dynamics formulation is more computationally efficient as it requires only algebraic evaluations and completely avoids numerical integration. Finally, the hybrid dynamics formulation is applicable to under-actuated systems where it leverages the benefits of inverse dynamics for actuated joints and forward dynamics for unactuated joints; it prescribes actuated state and unactuated input trajectories which yield uncertain unactuated states and actuated inputs. The benefits of the ability to quantify uncertainty when planning the motion of multibody dynamic systems are illustrated through several case-studies. The resulting designs determine optimal motion plans—subject to deterministic and statistical constraints—for all possible systems within the probability space