Tetris-inspired detector with neural network for radiation mapping.

Radiation mapping has attracted widespread research attention and increased public concerns on environmental monitoring. Regarding materials and their configurations, radiation detectors have been developed to identify the position and strength of the radioactive sources. However, due to the complex mechanisms of radiation-matter interaction and data limitation, high-performance and low-cost radiation mapping is still challenging. Here, we present a radiation mapping framework using Tetris-inspired detector pixels. Applying inter-pixel padding for enhancing contrast between pixels and neural networks trained with Monte Carlo (MC) simulation data, a detector with as few as four pixels can achieve high-resolution directional prediction. A moving detector with Maximum a Posteriori (MAP) further achieved radiation position localization. Field testing with a simple detector has verified the capability of the MAP method for source localization. Our framework offers an avenue for high-quality radiation mapping with simple detector configurations and is anticipated to be deployed for real-world radiation detection.

Self-supervised learning of cell type specificity from immunohistochemical images.

MOTIVATION: Advances in bioimaging now permit in situ proteomic characterization of cell-cell interactions in complex tissues, with important applications across a spectrum of biological problems from development to disease. These methods depend on selection of antibodies targeting proteins that are expressed specifically in particular cell types. Candidate marker proteins are often identified from single-cell transcriptomic data, with variable rates of success, in part due to divergence between expression levels of proteins and the genes that encode them. In principle, marker identification could be improved by using existing databases of immunohistochemistry for thousands of antibodies in human tissue, such as the Human Protein Atlas. However, these data lack detailed annotations of the types of cells in each image. RESULTS: We develop a method to predict cell type specificity of protein markers from unlabeled images. We train a convolutional neural network with a self-supervised objective to generate embeddings of the images. Using non-linear dimensionality reduction, we observe that the model clusters images according to cell types and anatomical regions for which the stained proteins are specific. We then use estimates of cell type specificity derived from an independent single-cell transcriptomics dataset to train an image classifier, without requiring any human labelling of images. Our scheme demonstrates superior classification of known proteomic markers in kidney compared to selection via single-cell transcriptomics. AVAILABILITY AND IMPLEMENTATION: Code and trained model are available at www.github.com/murphy17/HPA-SimCLR. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Can contrastive learning avoid shortcut solutions?

The generalization of representations learned via contrastive learning depends crucially on what features of the data are extracted. However, we observe that the contrastive loss does not always sufficiently guide which features are extracted, a behavior that can negatively impact the performance on downstream tasks via "shortcuts", i.e., by inadvertently suppressing important predictive features. We find that feature extraction is influenced by the difficulty of the so-called instance discrimination task (i.e., the task of discriminating pairs of similar points from pairs of dissimilar ones). Although harder pairs improve the representation of some features, the improvement comes at the cost of suppressing previously well represented features. In response, we propose implicit feature modification (IFM), a method for altering positive and negative samples in order to guide contrastive models towards capturing a wider variety of predictive features. Empirically, we observe that IFM reduces feature suppression, and as a result improves performance on vision and medical imaging tasks. The code is available at: https://github.com/joshr17/IFM.

Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks.

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated, unsupervised method for connecting scientific literature to inorganic synthesis insights. Starting from the natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for any inorganic materials of interest. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties and that the model's behavior complements the existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.