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2. A foundation model for atomistic materials chemistry

Author

Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, and Csányi, Gábor

Subjects
Physics - Chemical Physics, Condensed Matter - Materials Science
Abstract

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model - and its qualitative and at times quantitative accuracy - on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, chemical reactions, interfaces and even the dynamics of a small protein. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry., Comment: 119 pages, 63 figures, 37MB PDF

Published
2023

8. A deep-learning-based framework for identifying and localizing multiple abnormalities and assessing cardiomegaly in chest X-ray

Author

Fan, Weijie, Yang, Yi, Qi, Jing, Zhang, Qichuan, Liao, Cuiwei, Wen, Li, Wang, Shuang, Wang, Guangxian, Xia, Yu, Wu, Qihua, Fan, Xiaotao, Chen, Xingcai, He, Mi, Xiao, JingJing, Yang, Liu, Liu, Yun, Chen, Jia, Wang, Bing, Zhang, Lei, Yang, Liuqing, Gan, Hui, Zhang, Shushu, Liu, Guofang, Ge, Xiaodong, Cai, Yuanqing, Zhao, Gang, Zhang, Xi, Xie, Mingxun, Xu, Huilin, Zhang, Yi, Chen, Jiao, Li, Jun, Han, Shuang, Mu, Ke, Xiao, Shilin, Xiong, Tingwei, Nian, Yongjian, and Zhang, Dong

Published
2024
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12. The Impact of Artificial Intelligence on the Green Development of Logistics Industry

Author

Sun, Xianmin, Han, Shuang, Striełkowski, Wadim, Editor-in-Chief, Black, Jessica M., Series Editor, Butterfield, Stephen A., Series Editor, Chang, Chi-Cheng, Series Editor, Cheng, Jiuqing, Series Editor, Dumanig, Francisco Perlas, Series Editor, Al-Mabuk, Radhi, Series Editor, Scheper-Hughes, Nancy, Series Editor, Urban, Mathias, Series Editor, Webb, Stephen, Series Editor, Zhan, Zehui, editor, Liu, Jian, editor, Elshenawi, Dina M., editor, and Duester, Emma, editor

Published
2024
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32. Efficacy of Polyethylene Glycol Electrolyte Powder Combined with Linaclotide for Colon Cleansing in Patients with Chronic Constipation undergoing colonoscopy: a Multi-centre, single-blinded, Randomized-Controlled Trial.

Author

Wang, Lianli, Zhang, Yue, Li, Jingyao, Ran, Yan, Wang, Xuehong, Ma, Xueqin, Yang, Qi, Wang, Fang, Hu, Jianping, Zhuang, Kun, Wang, Jinhai, Quan, Xiaojing, Wang, Shenhao, Meng, Ruiting, Chen, Yindi, Li, Xuerong, Song, Yahua, Han, Shuang, Hu, Huige, Li, Laifu, and Dai, Fei

Published
2024
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33. Search for gamma-ray spectral lines with the DArk Matter Particle Explorer

Author

Alemanno, Francesca, An, Qi, Azzarello, Philipp, Barbato, Felicia Carla Tiziana, Bernardini, Paolo, Bi, Xiao-Jun, Cai, Ming-Sheng, Casilli, Elisabetta, Catanzani, Enrico, Chang, Jin, Chen, Deng-Yi, Chen, Jun-Ling, Chen, Zhan-Fang, Cui, Ming-Yang, Cui, Tian-Shu, Cui, Yu-Xing, Dai, Hao-Ting, De Benedittis, Antonio, De Mitri, Ivan, de Palma, Francesco, Deliyergiyev, Maksym, Di Santo, Margherita, Ding, Qi, Dong, Tie-Kuang, Dong, Zhen-Xing, Donvito, Giacinto, Droz, David, Duan, Jing-Lai, Duan, Kai-Kai, D'Urso, Domenico, Fan, Rui-Rui, Fan, Yi-Zhong, Fang, Fang, Fang, Kun, Feng, Chang-Qing, Feng, Lei, Fusco, Piergiorgio, Gao, Min, Gargano, Fabio, Gong, Ke, Gong, Yi-Zhong, Guo, Dong-Ya, Guo, Jian-Hua, Han, Shuang-Xue, Hu, Yi-Ming, Huang, Guang-Shun, Huang, Xiao-Yuan, Huang, Yong-Yi, Ionica, Maria, Jiang, Wei, Kong, Jie, Kotenko, Andrii, Kyratzis, Dimitrios, Lei, Shi-Jun, Li, Shang, Li, Wen-Hao, Li, Wei-Liang, Li, Xiang, Li, Xian-Qiang, Liang, Yao-Ming, Liu, Cheng-Ming, Liu, Hao, Liu, Jie, Liu, Shu-Bin, Liu, Yang, Loparco, Francesco, Luo, Chuan-Ning, Ma, Miao, Ma, Peng-Xiong, Ma, Tao, Ma, Xiao-Yong, Marsella, Giovanni, Mazziotta, Mario Nicola, Mo, Dan, Mu, Maria, Niu, Xiao-Yang, Pan, Xu, Parenti, Andrea, Peng, Wen-Xi, Peng, Xiao-Yan, Perrina, Chiara, Qiao, Rui, Rao, Jia-Ning, Ruina, Arshia, Shangguan, Zhi, Shen, Wei-Hua, Shen, Zhao-Qiang, Shen, Zhong-Tao, Silveri, Leandro, Song, Jing-Xing, Stolpovskiy, Mikhail, Su, Hong, Su, Meng, Sun, Hao-Ran, Sun, Zhi-Yu, Surdo, Antonio, Teng, Xue-Jian, Tykhonov, Andrii, Wang, Jin-Zhou, Wang, Lian-Guo, Wang, Shen, Wang, Shu-Xin, Wang, Xiao-Lian, Wang, Ying, Wang, Yan-Fang, Wang, Yuan-Zhu, Wei, Da-Ming, Wei, Jia-Ju, Wei, Yi-Feng, Wu, Di, Wu, Jian, Wu, Li-Bo, Wu, Sha-Sha, Wu, Xin, Xia, Zi-Qing, Xu, En-Heng, Xu, Hai-Tao, Xu, Zhi-Hui, Xu, Zun-Lei, Xu, Zi-Zong, Xue, Guo-Feng, Yang, Hai-Bo, Yang, Peng, Yang, Ya-Qing, Yao, Hui-Jun, Yu, Yu-Hong, Yuan, Guan-Wen, Yuan, Qiang, Yue, Chuan, Zang, Jing-Jing, Zhang, Sheng-Xia, Zhang, Wen-Zhang, Zhang, Yan, Zhang, Yi, Zhang, Yong-Jie, Zhang, Yun-Long, Zhang, Ya-Peng, Zhang, Yong-Qiang, Zhang, Zhe, Zhang, Zhi-Yong, Zhao, Cong, Zhao, Hong-Yun, Zhao, Xun-Feng, Zhou, Chang-Yi, Zhu, Yan, and Liang, Yun-Feng

Subjects
Astrophysics - High Energy Astrophysical Phenomena, High Energy Physics - Experiment
Abstract

The DArk Matter Particle Explorer (DAMPE) is well suitable for searching for monochromatic and sharp $\gamma$-ray structures in the GeV$-$TeV range thanks to its unprecedented high energy resolution. In this work, we search for $\gamma$-ray line structures using five years of DAMPE data. To improve the sensitivity, we develop two types of dedicated data sets (including the BgoOnly data which is the first time to be used in the data analysis for the calorimeter-based gamma-ray observatories) and adopt the signal-to-noise ratio optimized regions of interest (ROIs) for different DM density profiles. No line signals or candidates are found between 10 and 300 GeV in the Galaxy. The constraints on the velocity-averaged cross section for $\chi\chi \to \gamma\gamma$ and the decay lifetime for $\chi \to \gamma\nu$, both at 95% confidence level, have been calculated and the systematic uncertainties have been taken into account. Comparing to the previous Fermi-LAT results, though DAMPE has an acceptance smaller by a factor of $\sim 10$, similar constraints on the DM parameters are achieved and below 100 GeV the lower limits on the decay lifetime are even stronger by a factor of a few. Our results demonstrate the potential of high-energy-resolution observations on dark matter detection., Comment: 14 pages, 8 figures. Update the content to keep up with the published version

Published
2021
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37. Pyruvate dehydrogenase complex E1 subunit α crotonylation modulates cocaine-associated memory through hippocampal neuron activation

Author

Li, Hongchun, Liuha, Xiaoyu, Chen, Rong, Xiao, Yuzhou, Xu, Wei, Zhou, Yuanyi, Bai, Lin, Zhang, Jie, Zhao, Yue, Zhao, Ying, Wang, Liang, Qin, Feng, Chen, Yaxing, Han, Shuang, Wei, Qingfan, Li, Shu, Zhang, Dingwen, Bu, Qian, Wang, Xiaojie, Jiang, Linhong, Dai, Yanping, Zhang, Ni, Kuang, Weihong, Qin, Meng, Wang, Hongbo, Tian, Jingwei, Zhao, Yinglan, and Cen, Xiaobo

Published
2024
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48. Hippocampal circAnk3 Deficiency Causes Anxiety-like Behaviors and Social Deficits by Regulating the miR-7080-3p/IQGAP1 Pathway in Mice

Author

He, Yuman, Jiang, Linhong, Liu, Haxiaoyu, Bu, Qian, Kuang, Weihong, Zhao, Ying, Chen, Yaxing, Zhang, Ni, Xiao, Yuzhou, Li, Shu, Chen, Rong, Han, Shuang, Zhou, Yuanyi, Zhang, Jiamei, Wan, Xuemei, Xu, Rui, Wang, Shaomin, Zhang, Haoluo, Gu, Hui, Wei, Qingfan, Qin, Feng, Zhao, Yue, Li, Hongchun, Wang, Liang, Wang, Xiaojie, Wang, Yonghai, Dai, Yanping, Li, Min, Chen, Yuanyuan, Wang, Hongbo, Tian, Jingwei, Zhao, Yinglan, and Cen, Xiaobo

Published
2024
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50. Efficacy of Polyethylene Glycol Electrolyte Powder Combined With Linaclotide for Colon Cleansing in Patients With Chronic Constipation Undergoing Colonoscopy: A Multicenter, Single-Blinded, Randomized Controlled Trial

Author

Wang, Lianli, Zhang, Yue, Li, Jingyao, Ran, Yan, Wang, Xuehong, Ma, Xueqin, Yang, Qi, Wang, Fang, Hu, Jianping, Zhuang, Kun, Wang, Jinhai, Quan, Xiaojing, Wang, Shenhao, Meng, Ruiting, Chen, Yindi, Li, Xuerong, Song, Yahua, Han, Shuang, Hu, Huige, Li, Laifu, and Dai, Fei

Published
2024
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