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Monte Carlo simulations were used to study the influence of particle aspect ratio on the kinetics and phase behavior of hard gyrobifastigia (GBF). First, the formation of a highly anisotropic nucleus shape in the isotropic-to-crystal transition in regular GBF is explained by the differences in interfacial free energies of various crystal planes and the nucleus geometry predicted by the Wulff construction. GBF-related shapes with various aspect ratios were then studied, mapping their equations of state, determining phase coexistence conditions via interfacial pinning, and computing nucleation free-energy barriers via umbrella sampling using suitable order parameters. Our simulations reveal a reduction of the kinetic barrier for isotropic–crystal transition upon an increase in aspect ratio, and that for highly oblate and prolate aspect ratios, an intermediate nematic phase is stabilized. Our results and observations also support two conjectures for the formation of the crystalline state from the isotropic phase: that low phase free energies at the ordering phase transition correlate with low transition barriers and that the emergence of a mesophase provides a steppingstone that expedites crystallization. 

Rich variations in gait are generated according to several attributes of the individual and environment, such as age, athleticism, terrain, speed, personal “style”, mood, etc. The effects of these attributes can be hard to quantify explicitly, but relatively straightforward to sample. We seek to generate gait that expresses these attributes, creating synthetic gait samples that exemplify a custom mix of attributes. This is difficult to perform manually, and generally restricted to simple, human-interpretable and handcrafted rules. In this manuscript, we present neural network architectures to learn representations of hard to quantify attributes from data, and generate gait trajectories by composing multiple desirable attributes. We demonstrate this method for the two most commonly desired attribute classes: individual style and walking speed. We show that two methods, cost function design and latent space regularization, can be used individually or combined. We also show two uses of machine learning classifiers that recognize individuals and speeds. Firstly, they can be used as quantitative measures of success; if a synthetic gait fools a classifier, then it is considered to be a good example of that class. Secondly, we show that classifiers can be used in the latent space regularizations and cost functions to improve training beyond a typical squared-error cost. 

Gait complexity is widely used to understand risk factors for injury, rehabilitation, the performance of assistive devices, and other matters of clinical interest. We analyze the complexity of out-of-the-lab locomotion activities via measures that have previously been used in gait analysis literature, as well as measures from other domains of data analysis. We categorize these broadly as quantifying either the intrinsic dimensionality, the variability, or the regularity, periodicity, or self-similarity of the data from a nonlinear dynamical systems perspective. We perform this analysis on a novel full-body motion capture dataset collected in out-of-the-lab conditions for a variety of indoor environments. This is a unique dataset with a large amount (over 24 h total) of data from participants behaving without low-level instructions in out-of-the-lab indoor environments. We show that reasonable complexity measures can yield surprising, and even profoundly contradictory, results. We suggest that future complexity analysis can use these guidelines to be more specific and intentional about what aspect of complexity a quantitative measure expresses. This will become more important as wearable motion capture technology increasingly allows for comparison of ecologically relevant behavior with lab-based measurements. 

In this manuscript, we describe a unique dataset of human locomotion captured in a variety of out-of-the-laboratory environments captured using Inertial Measurement Unit (IMU) based wearable motion capture. The data contain full-body kinematics for walking, with and without stops, stair ambulation, obstacle course navigation, dynamic movements intended to test agility, and negotiating common obstacles in public spaces such as chairs. The dataset contains 24.2 total hours of movement data from a college student population with an approximately equal split of males to females. In addition, for one of the activities, we captured the egocentric field of view and gaze of the subjects using an eye tracker. Finally, we provide some examples of applications using the dataset and discuss how it might open possibilities for new studies in human gait analysis.

 

Topic models are some of the most popular ways to represent textual data in an interpret- able manner. Recently, advances in deep gen- erative models, specifically auto-encoding vari- ational Bayes (AEVB), have led to the intro- duction of unsupervised neural topic models, which leverage deep generative models as op- posed to traditional statistics-based topic mod- els. We extend upon these neural topic models by introducing the Label-Indexed Neural Topic Model (LI-NTM), which is, to the extent of our knowledge, the first effective upstream semi- supervised neural topic model. We find that LI- NTM outperforms existing neural topic models in document reconstruction benchmarks, with the most notable results in low labeled data regimes and for data-sets with informative la- bels; furthermore, our jointly learned classi- fier outperforms baseline classifiers in ablation studies. 

Carbon‐centered radicals stabilized by adjacent boron atoms are underexplored reaction intermediates in organic synthesis. This study reports the development of vinyl cyclopropyl diborons (VCPDBs) as a versatile source of previously unknown homoallylic α,α‐diboryl radicals via thiyl radical catalyzed diboron‐directed ring opening. These diboryl stabilized radicals underwent smooth [3+2] cycloaddition with a variety of olefins to provide diboryl cyclopentanes in good to excellent diastereoselectivity. In contrast to thetrans‐diastereoselectivity observed with most of the dicarbonyl activated VCPs, the cycloaddition of VCPDBs showed a remarkable preference for formation ofcis‐cyclopentane diastereomer which was confirmed by quantitative NOE and 2D NOESY studies. Thecis‐stereochemistry of cyclopentane products enabled a concise intramolecular Heck reaction approach to rare tricyclic cyclopentanoid framework containing the diboron group. The mild reaction conditions also allowed a one‐pot VCP ring‐opening, cycloaddition‐oxidation sequence to afford disubstituted cyclopentanones. Control experiments and DFT analysis of reaction mechanism support a radical mediated pathway and provide a rationale for the observed diastereoselectivity. To the authors’ knowledge, these are the first examples of the use of geminal diboryl group as an activator of VCP ring opening and cycloaddition reaction of α‐boryl radicals.