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  1. Organic trisradicals featuring three-fold symmetry have attracted significant interest because of their unique magnetic properties associated with spin frustration. Herein, we describe the synthesis and characterization of a triangular prism-shaped organic cage for which we have coined the name PrismCage6+ and its trisradical trication—TR3(•+). PrismCage6+ is composed of three 4,4'-bipyridinium dications and two 1,3,5-phenylene units bridged by six methylene groups. In the solid state, PrismCage6+ adopts a highly twisted conformation with close to C3 symmetry as a result of encapsulating one PF6− anion as a guest. PrismCage6+ undergoes stepwise reduction to its mono-, di- and trisradical cations in MeCN on account of strong electronic communication between its 4,4'-bipyridinium units. TR3(•+), which is obtained by reduction of PrismCage6+ employing CoCp2, adopts a triangular prism-shaped conformation with close to C2v symmetry in the solid state. Temperature-dependent continuous-wave and nutation frequency-selective EPR spectra of TR3(•+) in frozen N,N-dimethylformamide indicate its doublet ground state. The doublet-quartet energy gap of TR3(•+) is estimated to be −0.06 kcal mol−1 and the critical temperature of spin-state conversion is found to be ca. 50 K, suggesting that it displays pronounced spin-frustration at the molecular level. To the best of our knowledge, this example is the first organic radicalmore »cage to exhibit spin frustration. The trisradical trication of PrismCage6+ opens up new possibilities for fundamental investigations and potential applications in the fields of both organic cages and spin chemistry.« less
    Free, publicly-accessible full text available June 1, 2024

    We report the detection of ammonia masers in the non-metastable (6, 3), (7, 5), and (6, 5) transitions; the latter being the first unambiguous maser detection of that transition ever made. Our observations include the first very long baseline interferometry detection of ammonia maser emission, which allowed effective constraining of the (6, 5) maser brightness temperature. The masers were detected towards G 358.931−0.030, a site of 6.7-GHz class II methanol maser emission that was recently reported to be undergoing a period of flaring activity. These ammonia masers appear to be flaring contemporaneously with the class II methanol masers during the accretion burst event of G 358.931−0.030. This newly detected site of ammonia maser emission is only the 12th such site discovered in the Milky Way. We also report the results of an investigation into the maser pumping conditions, for all three detected masing transitions, through radiative transfer calculations constrained by our observational data. These calculations support the hypothesis that the ammonia (6, 5) maser transition is excited through high colour temperature infrared emission, with the (6, 5) and (7, 5) transition line ratio implying dust temperatures >400 K. Additionally, we detect significant linearly polarized emission from the ammonia (6, 3) maser line.more »Alongside our observational and radiative transfer calculation results, we also report newly derived rest frequencies for the ammonia (6, 3) and (6, 5) transitions.

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  3. Artificial Intelligence (AI) brings advancements to support pathologists in navigating high-resolution tumor images to search for pathology patterns of interest. However, existing AI-assisted tools have not realized the promised potential due to a lack of insight into pathology and HCI considerations for pathologists’ navigation workflows in practice. We first conducted a formative study with six medical professionals in pathology to capture their navigation strategies. By incorporating our observations along with the pathologists’ domain knowledge, we designed NaviPath — a human-AI collaborative navigation system. An evaluation study with 15 medical professionals in pathology indicated that: (i) compared to the manual navigation, participants saw more than twice the number of pathological patterns in unit time with NaviPath, and (ii) participants achieved higher precision and recall against the AI and the manual navigation on average. Further qualitative analysis revealed that participants’ navigation was more consistent with NaviPath, which can improve the examination quality.
    Free, publicly-accessible full text available January 1, 2024
  4. Free, publicly-accessible full text available October 1, 2023
  5. While contrastive approaches of self-supervised learning (SSL) learn representations by minimizing the distance between two augmented views of the same data point (positive pairs) and maximizing views from different data points (negative pairs), recent \emph{non-contrastive} SSL (e.g., BYOL and SimSiam) show remarkable performance {\it without} negative pairs, with an extra learnable predictor and a stop-gradient operation. A fundamental question rises: why they do not collapse into trivial representation? In this paper, we answer this question via a simple theoretical study and propose a novel approach, \ourmethod{}, that \emph{directly} sets the linear predictor based on the statistics of its inputs, rather than trained with gradient update. On ImageNet, it performs comparably with more complex two-layer non-linear predictors that employ BatchNorm and outperforms linear predictor by 2.5 in 300-epoch training (and 5 in 60-epoch). \ourmethod{} is motivated by our theoretical study of the nonlinear learning dynamics of non-contrastive SSL in simple linear networks. Our study yields conceptual insights into how non-contrastive SSL methods learn, how they avoid representational collapse, and how multiple factors, like predictor networks, stop-gradients, exponential moving averages, and weight decay all come into play. Our simple theory recapitulates the results of real-world ablation studies in both STL-10 and ImageNet.more »Code is released.« less