Computer vision (CV) has achieved great success in interpreting semantic meanings from images, yet CV algorithms can be brittle for tasks with adverse vision conditions and the ones suffering from data/label pair limitation. One of this tasks is in-bed human pose estimation, which has significant values in many healthcare applications. In-bed pose monitoring in natural settings could involve complete darkness or full occlusion. Furthermore, the lack of publicly available in-bed pose datasets hinders the use of many successful pose estimation algorithms for this task. In this paper, we introduce our Simultaneously-collected multimodal Lying Pose (SLP) dataset, which includes in-bed pose images from 109 participants captured using multiple imaging modalities including RGB, long wave infrared, depth, and pressure map. We also present a physical hyper parameter tuning strategy for ground truth pose label generation under extreme conditions such as lights off and being fully covered by a sheet/blanket. SLP design is compatible with the mainstream human pose datasets, therefore, the state-of-the-art 2D pose estimation models can be trained effectively with SLP data with promising performance as high as 95% at PCKh@0.5 on a single modality. The pose estimation performance can be further improved by including additional modalities through collaboration.

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Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for the exploration and discovery of new materials out of the infinite chemical design space. However, currently, the computationally expensive first-principles calculation-based CSP algorithms are applicable to relatively small systems and are out of reach of most materials researchers. Several teams have used an element substitution approach for generating or predicting new structures, but usually in an ad hoc way. Here we develop a template-based crystal structure prediction (TCSP) algorithm and its companion web server, which makes this tool accessible to all materials researchers. Our algorithm uses elemental/chemical similarity and oxidation states to guide the selection of template structures and then rank them based on the substitution compatibility and can return multiple predictions with ranking scores in a few minutes. A benchmark study on the 98290 formulas of the Materials Project database using leave-one-out evaluation shows that our algorithm can achieve high accuracy (for 13145 target structures, TCSP predicted their structures with root-mean-square deviation < 0.1) for a large portion of the formulas. We have also used TCSP to discover new materials of the Ga–B–N system, showing its potential for high-throughput materials discovery. Our user-friendly web app TCSP can be accessed freely at on our MaterialsAtlas.org web app platform.

Discovering new materials is a challenging task in materials science crucial to the progress of human society. Conventional approaches based on experiments and simulations are labor-intensive or costly with success heavily depending on experts’ heuristic knowledge. Here, we propose a deep learning based Physics Guided Crystal Generative Model (PGCGM) for efficient crystal material design with high structural diversity and symmetry. Our model increases the generation validity by more than 700% compared to FTCP, one of the latest structure generators and by more than 45% compared to our previous CubicGAN model. Density Functional Theory (DFT) calculations are used to validate the generated structures with 1869 materials out of 2000 are successfully optimized and deposited into the Carolina Materials Database www.carolinamatdb.org, of which 39.6% have negative formation energy and 5.3% have energy-above-hull less than 0.25 eV/atom, indicating their thermodynamic stability and potential synthesizability.

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