Hyperparameter Importance Across Datasets

With the advent of automated machine learning, automated hyperparameter optimization methods are by now routinely used in data mining. However, this progress is not yet matched by equal progress on automatic analyses that yield information beyond performance-optimizing hyperparameter settings. In this work, we aim to answer the following two questions: Given an algorithm, what are generally its most important hyperparameters, and what are typically good values for these? We present methodology and a framework to answer these questions based on meta-learning across many datasets. We apply this methodology using the experimental meta-data available on OpenML to determine the most important hyperparameters of support vector machines, random forests and Adaboost, and to infer priors for all their hyperparameters. The results, obtained fully automatically, provide a quantitative basis to focus efforts in both manual algorithm design and in automated hyperparameter optimization. The conducted experiments confirm that the hyperparameters selected by the proposed method are indeed the most important ones and that the obtained priors also lead to statistically significant improvements in hyperparameter optimization.Comment: \c{opyright} 2018. Copyright is held by the owner/author(s). Publication rights licensed to ACM. This is the author's version of the work. It is posted here for your personal use, not for redistribution. The definitive Version of Record was published in Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Minin

Unique behavioral and neurochemical effects induced by repeated adolescent consumption of caffeine-mixed alcohol in C57BL/6 mice.

The number of highly caffeinated products has increased dramatically in the past few years. Among these products, highly caffeinated energy drinks are the most heavily advertised and purchased, which has resulted in increased incidences of co-consumption of energy drinks with alcohol. Despite the growing number of adolescents and young adults reporting caffeine-mixed alcohol use, knowledge of the potential consequences associated with co-consumption has been limited to survey-based results and in-laboratory human behavioral testing. Here, we investigate the effect of repeated adolescent (post-natal days P35-61) exposure to caffeine-mixed alcohol in C57BL/6 mice on common drug-related behaviors such as locomotor sensitivity, drug reward and cross-sensitivity, and natural reward. To determine changes in neurological activity resulting from adolescent exposure, we monitored changes in expression of the transcription factor ΔFosB in the dopaminergic reward pathway as a sign of long-term increases in neuronal activity. Repeated adolescent exposure to caffeine-mixed alcohol exposure induced significant locomotor sensitization, desensitized cocaine conditioned place preference, decreased cocaine locomotor cross-sensitivity, and increased natural reward consumption. We also observed increased accumulation of ΔFosB in the nucleus accumbens following repeated adolescent caffeine-mixed alcohol exposure compared to alcohol or caffeine alone. Using our exposure model, we found that repeated exposure to caffeine-mixed alcohol during adolescence causes unique behavioral and neurochemical effects not observed in mice exposed to caffeine or alcohol alone. Based on similar findings for different substances of abuse, it is possible that repeated exposure to caffeine-mixed alcohol during adolescence could potentially alter or escalate future substance abuse as means to compensate for these behavioral and neurochemical alterations. © 2016 Robins et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited

Temperature-dependent out-of-plane anisotropy in compressively strained La_0.67Sr_0.33MnO₃ thin films

We studied the temperature and strain dependence of the perpendicular magnetic anisotropy in La0.67Sr0.33MnO3 thin films by performing temperature- and angle-dependent magnetotransport measurements. Three films of similar thickness (14 u.c., 14 u.c. and 15 u.c.) but with different out-of-plane crystallographic strain (1.9%, 0.9% and -0.7%) are studied. The films are grown on LaAlO3 and SrTiO3 substrates by pulsed laser deposition. We observe a clear increase in the out-of-plane magnetic anisotropy with increasing out-of-plane strain in the angle-dependent magnetotransport measurements which is present up to 80 K for the highest (1.9%) strained sample. The deformation of the unit cell, as discussed in earlier reports, point to the magnetocrystalline anisotropy as the main driver altering the magnetic easy axis direction. Our results highlight the utility of the effective magnetocrystalline anisotropy as a tool to control the desired anisotropy in crystalline thin films of La0.67Sr0.33MnO3

Antimicrobial Electrodeposited Silver-Containing Calcium Phosphate Coatings

Biocompatible antimicrobial coatings may enhance the function of many orthopedic implants by combating infection. Hydroxyapatite is a choice mineral for such a coating as it is native to bone and silver would be a possible antimicrobial agent as it is also commonly used in biomedical applications. The aim of the research is to develop a silver-containing calcium phosphate (Ag/Ca-P) coating via electrochemical deposition on titanium substrates as this allows for controlled coating buildup on complex shapes and porous surfaces. Two different deposition approaches are explored: one-step Ag/Ca-P(1) deposition coatings, containing silver ions as microsized silver phosphate particles embedded in the Ca-P matrix; and via a two-step method (Ag/Ca-P(2)) where silver is deposited as metallic silver nanoparticle on the Ca-P coating. The Ag/Ca-P(1) coating displays a bacterial reduction of 76.1 +/- 8.3% via Ag-ion leaching. The Ag/Ca-P(2) coating displays a bacterial reduction of 83.7 +/- 4.5% via contact killing. Interestingly, by preincubation in phosphate-buffered saline solution, bacterial reduction improves to 97.6 +/- 2.7 and 99.7 +/- 0.4% for Ag/Ca-P(1) and Ag/Ca-P(2) coatings, respectively, due to leaching of formed AgClx(x-1)- species. The biocompatibility evaluation indicates that the Ag/Ca-P(1) coating is cytotoxic towards osteoblasts while the Ag/Ca-P(2) coating shows excellent compatibility. The electrochemical deposition of highly bactericidal coatings with excellent biocompatibility will enable us to coat future bone implants even with complex or porous structures

Strain driven antiferromagnetic exchange interaction in SrMnO3_3 probed by phase shifted Spin Hall magnetoresistance

Multiferroics have found renewed interest in topological magnetism and for logic-in-memory applications. Among them, SrMnO$_{3}$, possessing strong magnetoelectric coupling is gaining attention for the design of coexisting magnetic and polar orders upon straining. Here we demonstrate antiferromagnetic exchange interactions in strained SMO thin films extracted from a new feature in the phase response of Spin Hall magnetoresistance, which has not been explored in earlier works, such as in magnetic insulators. We explain our findings with a model that incorporates magnetic anisotropy along [110] direction, corroborates with DFT studies and is consistent with the direction of ferroelectric polarization in SrMnO$_{3}$. The fundamental insights obtained from our studies establishes the potential of this material in magnetoelectrically coupled devices for different logic and memory applications.Comment: 9 pages, 5 figures, accepted for publication in Physical Review

Molecular dynamics study of taxadiene synthase catalysis

Molecular dynamics (MD) simulations have been performed to study the dynamic behavior of noncovalent enzyme carbocation complexes involved in the cyclization of geranylgeranyl diphosphate to taxadiene catalyzed by taxadiene synthase (TXS). Taxadiene and the observed four side products originate from the deprotonation of carbocation intermediates. The MD simulations of the TXS carbocation complexes provide insights into potential deprotonation mechanisms of such carbocations. The MD results do not support a previous hypothesis that carbocation tumbling is a key factor in the deprotonation of the carbocations by pyrophosphate. Instead water bridges are identified which may allow the formation of side products via multiple proton transfer reactions. A novel reaction path for taxadiene formation is proposed on the basis of the simulations