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                "en": "1. Introduction\r\n\r\nThese files contain the proposed implementation for benchmarking to evaluate whether a setup of hardware is feasible for complex deep learning projects.\r\n\r\n2. Scope \r\n\r\n\r\n\tThe benchmark evaluates the performance of a setup having a single CPU, a single GPU, RAM and memory storage. The performance of multi-CPUs/multi-GPUs or server-based is included in our scope.\r\n\tThe benchmark is built on the Anaconda distribution of Python, and the Jupyter Notebook computational environment. The deep learning models mentioned in this benchmarked are implemented using the Keras application programming interface (API).\r\n\r\nThe title and description of this software/code correspond with the situation when the software metadata was imported to ACRIS. The most recent version of metadata is available in the original repository.\r\n\tOur goal is to develop a verified approach to conduct the hardware benchmark that is quick and easy to use. To do so, we provide benchmarking programs as well as the installation guide for Anaconda and deep learning-supported packages.\r\n\r\n\r\n3. Evaluation metrics\r\n\r\n There are various metrics to benchmark the performance capabilities of a setup for deep learning purposes. Here, the following metrics are used:\r\n\r\n\r\n\tTotal execution time: the total execution time includes both the total training time and the total validation time of a deep learning model on a dataset after a defined number of epochs. Here, the number of epochs is 100. The lower the total execution time the better.\r\n\tTotal inference time: the total inference time includes both the model loading time (the time required to fully load a set of pre-trained weights to implement a model) and the total prediction time of a deep learning model on a test dataset. Similar to the total execution time, the lower the total inference time the better.\r\n\tFLOPS: the performance capability of a CPU or GPU can be measured by counting the number of floating operation points (FLO) it can execute per second. Thus, the higher the FLOPS, the better.\r\n\tComputing resources issues/errors: Ideally, a better-performed setup will not encounter any computing resources issues/errors including but not limited to the Out-Of-Memory (OOM) error.\r\n\tBottlenecking: to put it simply, bottlenecking is a subpar performance that is caused by the inability of one component to keep up with the others, thus slowing down the overall ability of a setup to process data. Here, our primary concern is the bottlenecking between CPU and GPU. The bottlenecking factor is measured using an online tool: Bottleneck Calculator\r\n\r\n\r\n 4. Methods\r\n\r\n\r\n\tTo evaluate the hardware performance, two deep learning models are deployed for benchmarking purpose. The first model is a modified VGG19 based on a study by Deitsch et al. (Model A) [1], and the other model is a modified concatenated model proposed in a study from Rahimzadeh et al. (Model B) [2]. These models were previously implemented in Vo et al [3]. The model compilation, training and validation practices are similar to those mentioned in Vo et al [3]. Besides, several optimization practices such as mixed precision policy are applied for model training to make it run faster and consume less memory. The following datasets are used for benchmarking: the original MNIST dataset by LeCun et al., and the Zalando MNIST dataset by Xiao et al.\r\n\tOn the other hand, we also proposed another approach for benchmarking that is much simpler and quicker: evaluating the total execution time for a combination of basic operations. These basic operations include General Matrix to Matrix Multiplication (GEMM), 2D-Convolution (Convolve2D) and Recurrent Neural Network (RNN), and exist in almost all deep neural networks today [4]. We implemented our alternative approach based on the DeepBench work by Baidu [5]:\r\n\t\r\n\t\tIn DMM, we defined matrix C as a product of (MxN) and (NxK) matrices. For example, (3072,128,1024) means the resulting matrix is a product of (3072x128) and (128x1024) matrices. To benchmark, we implemented five different multiplications and measured the overall total execution time of these five. These multiplications included (3072,128,1024), (5124,9124,2560), (2560,64,2560), (7860,64,2560), and (1760,128,1760).\r\n\t\tIn SMM, we defined matrix C as a product of (MxN) and (NxK) matrices, and (100 - Dx100)% of the (MxN) matrix is omitted. For instance, (10752,1,3584,0.9) means the resulting matrix is a product of (10752x1) and (1x3584) matrices, while 10% of the (10752x1) matrix is omitted. To benchmark, we implemented four different multiplications and measured the overall total execution time of these five. These multiplications included (10752,1,3584,0.9), (7680,1500,2560,0.95), (7680,2,2560,0.95), and (7680,1,2560,0.95).\r\n\t\tIn Convolve2D, we defined a simple model containing only convolution layers and pooling layers and measured the resulting total execution time. The dataset used for this training this model is the Zalando MNIST by Xiao et al.\r\n\t\tWe did not implement the RNN due to several issues caused by the new version of Keras.\r\n\t\r\n\t\r\n\tTo evaluate total inference time, we loaded the already trained weights from our models (denoted as Model A-benchmarked and Model B-benchmarked, respectively) which has the best validation accuracy and conducted a prediction run on the test set from the Zalando MNIST. These files are available on Zenodo: Inference Models\r\n\r\n\r\n5.  References\r\n\r\n\r\n\t[1] S. Deitsch, V. Christlein, S. Berger, C. Buerhop-Lutz, A. Maier, F. Gallwitz, and C. Riess, “Automatic classification of defective photovoltaic module cells in electroluminescence images,” Solar Energy, vol. 185, p. 455–468, 06-2019\r\n\t[2] M. Rahimzadeh and A. Attar, “A modified deep convolutional neural network for detecting COVID-19 and pneumonia from chest X-ray images based on the concatenation of Xception and ResNet50V2,” Informatics in MedicineUnlocked, vol. 19, p. 100360, 2020.\r\n\t[3] H. Vo, “Realization and Verification of Deep Learning Models for FaultDetection and Diagnosis of Photovoltaic Modules,” Master’s Thesis, Aalto University. School of Electrical Engineering, 2021.\r\n\t[4] P. Warden, \"Why GEMM is at the heart of deep learning,\" Pete Warden's Blog, 2015. Available at: https://petewarden.com/2015/04/20/why-gemm-is-at-the-heart-of-deep-learning/\r\n\t[5] Baidu Research, \"Benchmarking Deep Learning operations on different hardware\". Available at: https://github.com/baidu-research/DeepBench\r\n\t[6] Y. LeCun, L. Bottou, Y. Bengio, and P. Haffner, \"Gradient-based learning applied to document recognition,\" Proceedings of the IEEE, 1998.\r\n\t[7] Xiao, K. Rasul, and R. Vollgraf, “A Novel Image Dataset for Benchmarking Machine Learning Algorithms,” 2017. https://github.com/zalandoresearch/fashion-mnist\r\n\t[8] F. Pedregosa, G. Varoquaux, A. Gramfort, V. Michel, B. Thirion,O. Grisel, M. Blondel, P. Prettenhofer, R. Weiss, V. Dubourg, J. Vander-plas, A. Passos, D. Cournapeau, M. Brucher, M. Perrot, and E. Duchesnay,“Scikit-learn: Machine learning in Python,” Journal of Machine Learning Research, vol. 12, pp. 2825–2830, 2011.\r\n\t[9] F. Chollet, “Keras,” 2015. Available at: https://github.com/fchollet/keras\r\n\t[10] ML Commons. Available at: https://mlcommons.org/en/\r\n\t[11] W. Dai and D. Berleant, “Benchmarking contemporary deep learning hardware and frameworks: A survey of qualitative metrics,” 2019 IEEE First International Conference on Cognitive Machine Intelligence (CogMI), Dec 2019."
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                "en": "We investigate the electromagnetic response of anisotropic copper antimony disulfide (CuSbS₂) nanoparticles and layers embedded with them for solar applications and near-infrared (NIR) sensors using computational methods. To this end we calculate the scattering and absorption efficiencies of oblate spheroidal CuSbS₂ nanoparticles using the surface integral equation method. We further investigate the optical response of thin layers containing CuSbS₂ spheroids at low volume fraction using a Monte Carlo method. We find that response of these layers can be considerably modified by changing the short axis length and the orientation of the particles within the layer with respect to the incoming radiation. This allows engineering the layers for specific polarization-dependent-response applications."
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                "en": "This data includes small and wide-angle X-ray scattering (SAXS, WAXS) intensities measured for Norway spruce (Picea abies) wood.\r\n\r\nThe experiments were done in perpendicular transmission geometry, with the wood fiber axis roughly vertical and the radial direction of the wood tissue parallel to the X-ray beam, using a Xenocs Xeuss 3.0 C SAXS/WAXS device and Cu K-alpha radiation (wavelength 1.542 Å). The scattering patterns were recorded using an EIGER2 R 1M detector (pixel size 75 µm). The wood sample was measured first in wet state (saturated with water; \"Wet\"), and then equilibrated at different relative humidities (RH) in the following order: 95% (\"RH95_1st\"), 85% (\"RH85\"), 70% (\"RH70\"), 50% (\"RH50_1st\"), 20% (\"RH20\"), 10% (\"RH10\"), 50% (\"RH50_2nd\"), 95% (\"RH95_2nd\"). The sample-to-detector distance was 0.4139 m in SAXS, and 0.1528 m for the first 4 conditions (until \"RH70\") and 0.1525 m for the remaining 5 conditions in WAXS. Beam center (in detector pixels) was at x=540.6, y=667.0 (except y=635.0 in \"RH70\") in SAXS and x=1540, y=1521 in WAXS.\r\n\r\nFor each of the 9 moisture conditions, files corresponding to 3 different processing steps are provided:\r\n\r\n\r\n\t\"_bgsub_saxs.txt\" and \"_bgsub_waxs.txt\" are ASCII files that contain the normalized and background-subtracted detector images (intensity in units mm^-1) corresponding to SAXS and WAXS, respectively. Pixels to be masked have the value \"nan\".\r\n\t\"_bgsub_saxs_pol90.txt\" and \"_bgsub_waxs_pol90.txt\" contain azimuthally regrouped images (90 bins in azimuthal angle) based on \"_bgsub_saxs.txt\" and \"_bgsub_waxs.txt\", respectively. PNG image files \"_bgsub_saxs_pol.png\" and \"_bgsub_waxs_pol.png\" are provided for reference.\r\n\t\"_bgsub_pol90_ibg.txt\" and \"_bgsub_waxs_pol90_vert_ibg.txt\" contain the equatorial and meridional anisotropic intensities, respectively, which were obtained from the azimuthally regrouped images by subtracting the isotropic scattering from the equatorial or meridional intensity (sector width 25°) at each value of the scattering vector q. The equatorial anisotropic intensities from SAXS and WAXS were merged by scaling the SAXS intensity, and the meridional anisotropic intensity is provided for the WAXS range only. The files contain columns for the magnitude of the scattering vector (q, unit Å-1), anisotropic intensity (I_ani, unit mm-1), error of anisotropic intensity (dI_ani, unit mm-1), and isotropic intensity (I_iso, unit mm-1).\r\n\r\n\r\nMore detailed descriptions of the sample, the measurement, and the data processing can be found in the following reference:\r\nAntti Paajanen, Aleksi Zitting, Lauri Rautkari, Jukka A. Ketoja, Paavo A. Penttilä. Nanoscale mechanism of moisture-induced swelling in wood microfibril bundles. Nano Letters (2022) DOI: 10.1021/acs.nanolett.2c00822"
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