Simplifying Causal Mediation Analysis for Time-to-Event Outcomes using Pseudo-Values

Autor: Ocampo, Alex, Giudice, Enrico, Häring, Dieter A., Magnusson, Baldur, Lange, Theis, McCaw, Zachary R.

Mediation analysis for survival outcomes is challenging. Most existing methods quantify the treatment effect using the hazard ratio (HR) and attempt to decompose the HR into the direct effect of treatment plus an indirect, or mediated, effect. Howeve

Externí odkaz: http://arxiv.org/abs/2411.17533

Measurement of the inclusive branching fractions for $B_s^0$ decays into $D$ mesons via hadronic tagging

Autor: Belle, Collaborations, Belle II, Adachi, I., Aggarwal, L., Ahmed, H., Aihara, H., Akopov, N., Aloisio, A., Said, S. Al, Althubiti, N., Ky, N. Anh, Asner, D. M., Atmacan, H., Aushev, T., Aushev, V., Aversano, M., Ayad, R., Babu, V., Bae, H., Baghel, N. K., Bahinipati, S., Bambade, P., Banerjee, Sw., Bansal, S., Barrett, M., Bartl, M., Baudot, J., Baur, A., Beaubien, A., Becherer, F., Becker, J., Belous, K., Bennett, J. V., Bernlochner, F. U., Bertacchi, V., Bertemes, M., Bertholet, E., Bessner, M., Bettarini, S., Bhardwaj, V., Bhuyan, B., Bianchi, F., Bierwirth, L., Bilka, T., Biswas, D., Bobrov, A., Bodrov, D., Bolz, A., Bondar, A., Borah, J., Boschetti, A., Bozek, A., Bračko, M., Branchini, P., Briere, R. A., Browder, T. E., Budano, A., Bussino, S., Campagna, Q., Campajola, M., Cao, L., Casarosa, G., Cecchi, C., Cerasoli, J., Chang, M. -C., Chang, P., Cheaib, R., Cheema, P., Cheon, B. G., Chilikin, K., Chirapatpimol, K., Cho, H. -E., Cho, K., Cho, S. -J., Choi, S. -K., Choudhury, S., Cochran, J., Corona, L., Cui, J. X., Dattola, F., De La Cruz-Burelo, E., De La Motte, S. A., De Nardo, G., De Nuccio, M., De Pietro, G., de Sangro, R., Destefanis, M., Dey, S., Dhamija, R., Di Canto, A., Di Capua, F., Dingfelder, J., Doležal, Z., Jiménez, I. Domínguez, Dong, T. V., Dorner, D., Dort, K., Dossett, D., Dreyer, S., Dubey, S., Dugic, K., Dujany, G., Ecker, P., Eliachevitch, M., Epifanov, D., Feichtinger, P., Ferber, T., Fillinger, T., Finck, C., Finocchiaro, G., Fodor, A., Forti, F., Frey, A., Fulsom, B. G., Gabrielli, A., Ganiev, E., Garcia-Hernandez, M., Garg, R., Gaudino, G., Gaur, V., Gellrich, A., Ghevondyan, G., Ghosh, D., Ghumaryan, H., Giakoustidis, G., Giordano, R., Giri, A., Gironell, P. Gironella, Glazov, A., Gobbo, B., Godang, R., Goldenzweig, P., Graziani, E., Greenwald, D., Gruberová, Z., Gu, T., Guan, Y., Gudkova, K., Haide, I., Halder, S., Han, Y., Hara, T., Harris, C., Hayasaka, K., Hayashii, H., Hazra, S., Hedges, M. T., Heidelbach, A., de la Cruz, I. Heredia, Villanueva, M. Hernández, Higuchi, T., Hoek, M., Hohmann, M., Hoppe, R., Horak, P., Hsu, C. -L., Humair, T., Iijima, T., Inami, K., Ipsita, N., Ishikawa, A., Itoh, R., Iwasaki, M., Jackson, P., Jacobs, W. W., Jang, E. -J., Ji, Q. P., Jia, S., Jin, Y., Johnson, A., Joo, K. K., Junkerkalefeld, H., Kaleta, M., Kalita, D., Kaliyar, A. B., Kandra, J., Kang, K. H., Kang, S., Karyan, G., Kawasaki, T., Keil, F., Ketter, C., Kiesling, C., Kim, C. -H., Kim, D. Y., Kim, J. -Y., Kim, K. -H., Kim, Y. -K., Kim, Y. J., Kindo, H., Kinoshita, K., Kodyš, P., Koga, T., Kohani, S., Kojima, K., Korobov, A., Korpar, S., Kovalenko, E., Križan, P., Krokovny, P., Kuhr, T., Kulii, Y., Kumar, D., Kumar, J., Kumar, M., Kumar, R., Kumara, K., Kunigo, T., Kuzmin, A., Kwon, Y. -J., Lacaprara, S., Lalwani, K., Lam, T., Lanceri, L., Lange, J. S., Lau, T. S., Laurenza, M., Lautenbach, K., Leboucher, R., Diberder, F. R. Le, Lee, M. J., Lemettais, C., Leo, P., Levit, D., Lewis, P. M., Li, L. K., Li, Q. M., Li, S. X., Li, W. Z., Li, Y., Li, Y. B., Liao, Y. P., Libby, J., Lin, J., Liptak, Z., Liu, M. H., Liu, Q. Y., Liu, Y., Liu, Z. Q., Liventsev, D., Longo, S., Lueck, T., Lyu, C., Ma, Y., Madaan, C., Maggiora, M., Maharana, S. P., Maiti, R., Maity, S., Mancinelli, G., Manfredi, R., Manoni, E., Mantovano, M., Marcantonio, D., Marcello, S., Marinas, C., Martellini, C., Martens, A., Martini, A., Martinov, T., Massaccesi, L., Masuda, M., Matvienko, D., Maurya, S. K., Maushart, M., McKenna, J. A., Meier, F., Merola, M., Metzner, F., Miller, C., Mirra, M., Mitra, S., Miyabayashi, K., Mizuk, R., Mohanty, G. B., Mondal, S., Moneta, S., Moser, H. -G., Mrvar, M., Mussa, R., Nakamura, I., Nakao, M., Nakazawa, Y., Naruki, M., Natkaniec, Z., Natochii, A., Nayak, M., Nazaryan, G., Neu, M., Niebuhr, C., Niiyama, M., Nishida, S., Ogawa, S., Onishchuk, Y., Ono, H., Onuki, Y., Otani, F., Pakhlov, P., Pakhlova, G., Paoloni, E., Pardi, S., Parham, K., Park, H., Park, J., Park, K., Park, S. -H., Paschen, B., Passeri, A., Patra, S., Paul, S., Pedlar, T. K., Peschke, R., Pestotnik, R., Piccolo, M., Piilonen, L. E., Angioni, G. Pinna, Podesta-Lerma, P. L. M., Podobnik, T., Pokharel, S., Praz, C., Prell, S., Prencipe, E., Prim, M. T., Prudiiev, I., Purwar, H., Rados, P., Raeuber, G., Raiz, S., Rauls, N., Ravindran, K., Rehman, J. U., Reif, M., Reiter, S., Remnev, M., Reuter, L., Herrmann, D. Ricalde, Ripp-Baudot, I., Rizzo, G., Roehrken, M., Roney, J. M., Rostomyan, A., Rout, N., Sanders, D. A., Sandilya, S., Santelj, L., Sato, Y., Savinov, V., Scavino, B., Schmitt, C., Schneider, S., Schnell, G., Schnepf, M., Schwanda, C., Schwartz, A. J., Seino, Y., Selce, A., Senyo, K., Serrano, J., Sevior, M. E., Sfienti, C., Shan, W., Sharma, C., Shen, C. P., Shi, X. D., Shillington, T., Shimasaki, T., Shiu, J. -G., Shtol, D., Sibidanov, A., Simon, F., Singh, J. B., Skorupa, J., Sobotzik, M., Soffer, A., Sokolov, A., Solovieva, E., Song, W., Spataro, S., Spruck, B., Starič, M., Stavroulakis, P., Stefkova, S., Stroili, R., Strube, J., Sue, Y., Sumihama, M., Sumisawa, K., Sutcliffe, W., Suwonjandee, N., Svidras, H., Takahashi, M., Takizawa, M., Tamponi, U., Tanaka, S., Tanida, K., Tenchini, F., Thaller, A., Tittel, O., Tiwary, R., Torassa, E., Trabelsi, K., Tsaklidis, I., Ueda, I., Uglov, T., Unger, K., Unno, Y., Uno, K., Uno, S., Urquijo, P., Ushiroda, Y., Vahsen, S. E., van Tonder, R., Varvell, K. E., Veronesi, M., Vinokurova, A., Vismaya, V. S., Vitale, L., Vobbilisetti, V., Volpe, R., Vossen, A., Wach, B., Wakai, M., Wallner, S., Wang, B., Wang, E., Wang, M. -Z., Wang, X. L., Wang, Z., Warburton, A., Watanabe, M., Watanuki, S., Wessel, C., Wiechczynski, J., Won, E., Xu, X. P., Yabsley, B. D., Yamada, S., Yang, S. B., Yasaveev, M., Yelton, J., Yin, J. H., Yook, Y. M., Yoshihara, K., Yuan, C. Z., Yuan, J., Yusa, Y., Zani, L., Zeng, F., Zhang, B., Zhilich, V., Zhou, J. S., Zhou, Q. D., Zhukova, V. I., Žlebčík, R.

We report measurements of the absolute branching fractions $\mathcal{B}(B_s^0 \to D_s^{\pm} X)$, $\mathcal{B}(B_s^0 \to D^0/\bar{D}^0 X)$, and $\mathcal{B}(B_s^0 \to D^{\pm} X)$, where the latter is measured for the first time. The results are based

Externí odkaz: http://arxiv.org/abs/2411.14032

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Autor: John, Peter St., Lin, Dejun, Binder, Polina, Greaves, Malcolm, Shah, Vega, John, John St., Lange, Adrian, Hsu, Patrick, Illango, Rajesh, Ramanathan, Arvind, Anandkumar, Anima, Brookes, David H, Busia, Akosua, Mahajan, Abhishaike, Malina, Stephen, Prasad, Neha, Sinai, Sam, Edwards, Lindsay, Gaudelet, Thomas, Regep, Cristian, Steinegger, Martin, Rost, Burkhard, Brace, Alexander, Hippe, Kyle, Naef, Luca, Kamata, Keisuke, Armstrong, George, Boyd, Kevin, Cao, Zhonglin, Chou, Han-Yi, Chu, Simon, Costa, Allan dos Santos, Darabi, Sajad, Dawson, Eric, Didi, Kieran, Fu, Cong, Geiger, Mario, Gill, Michelle, Hsu, Darren, Kaushik, Gagan, Korshunova, Maria, Kothen-Hill, Steven, Lee, Youhan, Liu, Meng, Livne, Micha, McClure, Zachary, Mitchell, Jonathan, Moradzadeh, Alireza, Mosafi, Ohad, Nashed, Youssef, Paliwal, Saee, Peng, Yuxing, Rabhi, Sara, Ramezanghorbani, Farhad, Reidenbach, Danny, Ricketts, Camir, Roland, Brian, Shah, Kushal, Shimko, Tyler, Sirelkhatim, Hassan, Srinivasan, Savitha, Stern, Abraham C, Toczydlowska, Dorota, Veccham, Srimukh Prasad, Venanzi, Niccolò Alberto Elia, Vorontsov, Anton, Wilber, Jared, Wilkinson, Isabel, Wong, Wei Jing, Xue, Eva, Ye, Cory, Yu, Xin, Zhang, Yang, Zhou, Guoqing, Zandstein, Becca, Dallago, Christian, Trentini, Bruno, Kucukbenli, Emine, Rvachov, Timur, Calleja, Eddie, Israeli, Johnny, Clifford, Harry, Haukioja, Risto, Haemel, Nicholas, Tretina, Kyle, Tadimeti, Neha, Costa, Anthony B

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language mode

Externí odkaz: http://arxiv.org/abs/2411.10548

Measurement of $B \to K{}^{*}(892)\gamma$ decays at Belle II

Autor: Belle II Collaboration, Adachi, I., Aggarwal, L., Ahmed, H., Aihara, H., Akopov, N., Aloisio, A., Althubiti, N., Ky, N. Anh, Asner, D. M., Atmacan, H., Aushev, T., Aushev, V., Aversano, M., Ayad, R., Babu, V., Bae, H., Baghel, N. K., Bahinipati, S., Bambade, P., Banerjee, Sw., Bansal, S., Barrett, M., Bartl, M., Baudot, J., Baur, A., Beaubien, A., Becherer, F., Becker, J., Bennett, J. V., Bernlochner, F. U., Bertacchi, V., Bertemes, M., Bertholet, E., Bessner, M., Bettarini, S., Bhardwaj, V., Bhuyan, B., Bianchi, F., Bierwirth, L., Bilka, T., Biswas, D., Bobrov, A., Bodrov, D., Bolz, A., Bondar, A., Borah, J., Boschetti, A., Bozek, A., Bračko, M., Branchini, P., Briere, R. A., Browder, T. E., Budano, A., Bussino, S., Campagna, Q., Campajola, M., Cao, L., Casarosa, G., Cecchi, C., Cerasoli, J., Chang, M. -C., Chang, P., Cheaib, R., Cheema, P., Chen, C., Cheon, B. G., Chilikin, K., Chirapatpimol, K., Cho, H. -E., Cho, K., Cho, S. -J., Choi, S. -K., Choudhury, S., Cochran, J., Corona, L., Cui, J. X., Dattola, F., De La Cruz-Burelo, E., De La Motte, S. A., de Marino, G., De Nardo, G., De Pietro, G., de Sangro, R., Destefanis, M., Dey, S., Dhamija, R., Di Canto, A., Di Capua, F., Dingfelder, J., Doležal, Z., Jiménez, I. Domínguez, Dong, T. V., Dorigo, M., Dort, K., Dossett, D., Dubey, S., Dugic, K., Dujany, G., Ecker, P., Eliachevitch, M., Feichtinger, P., Ferber, T., Fillinger, T., Finck, C., Finocchiaro, G., Fodor, A., Forti, F., Frey, A., Fulsom, B. G., Gabrielli, A., Ganiev, E., Garcia-Hernandez, M., Garg, R., Gaudino, G., Gaur, V., Gaz, A., Gellrich, A., Ghevondyan, G., Ghosh, D., Ghumaryan, H., Giakoustidis, G., Giordano, R., Giri, A., Gironell, P. Gironella, Glazov, A., Gobbo, B., Godang, R., Gogota, O., Goldenzweig, P., Gradl, W., Graziani, E., Greenwald, D., Gruberová, Z., Gu, T., Guan, Y., Gudkova, K., Haide, I., Halder, S., Han, Y., Hara, T., Harris, C., Hayasaka, K., Hayashii, H., Hazra, S., Hearty, C., Hedges, M. T., Heidelbach, A., de la Cruz, I. Heredia, Villanueva, M. Hernández, Higuchi, T., Hoek, M., Hohmann, M., Hoppe, R., Horak, P., Hsu, C. -L., Humair, T., Iijima, T., Inami, K., Ipsita, N., Ishikawa, A., Itoh, R., Iwasaki, M., Jackson, P., Jacobs, W. W., Jang, E. -J., Jia, S., Jin, Y., Johnson, A., Joo, K. K., Junkerkalefeld, H., Kaleta, M., Kalita, D., Kaliyar, A. B., Kandra, J., Kang, K. H., Kang, S., Karyan, G., Kawasaki, T., Keil, F., Ketter, C., Kiesling, C., Kim, C. -H., Kim, D. Y., Kim, J. -Y., Kim, K. -H., Kim, Y. -K., Kim, Y. J., Kindo, H., Kinoshita, K., Kodyš, P., Koga, T., Kohani, S., Kojima, K., Korobov, A., Korpar, S., Kovalenko, E., Kowalewski, R., Križan, P., Krokovny, P., Kuhr, T., Kulii, Y., Kumar, D., Kumar, M., Kumara, K., Kunigo, T., Kuzmin, A., Kwon, Y. -J., Lacaprara, S., Lai, Y. -T., Lalwani, K., Lam, T., Lanceri, L., Lange, J. S., Lau, T. S., Laurenza, M., Leboucher, R., Diberder, F. R. Le, Lee, M. J., Lemettais, C., Leo, P., Levit, D., Lewis, P. M., Li, C., Li, L. K., Li, Q. M., Li, S. X., Li, W. Z., Li, Y., Li, Y. B., Liao, Y. P., Libby, J., Lin, J., Liptak, Z., Liu, M. H., Liu, Q. Y., Liu, Y., Liu, Z. Q., Liventsev, D., Longo, S., Lyu, C., Ma, Y., Madaan, C., Maggiora, M., Maharana, S. P., Maiti, R., Maity, S., Mancinelli, G., Manfredi, R., Manoni, E., Mantovano, M., Marcantonio, D., Marcello, S., Marinas, C., Martellini, C., Martens, A., Martini, A., Martinov, T., Massaccesi, L., Masuda, M., Matsuda, T., Matsuoka, K., Matvienko, D., Maurya, S. K., Maushart, M., McKenna, J. A., Mehta, R., Meier, F., Merola, M., Metzner, F., Miller, C., Mirra, M., Mitra, S., Miyabayashi, K., Mizuk, R., Mohanty, G. B., Mondal, S., Moneta, S., Moser, H. -G., Mrvar, M., Mussa, R., Nakamura, I., Nakao, M., Nakazawa, Y., Naruki, M., Natkaniec, Z., Natochii, A., Nayak, M., Nazaryan, G., Neu, M., Niebuhr, C., Niiyama, M., Nishida, S., Ogawa, S., Onishchuk, Y., Ono, H., Onuki, Y., Otani, F., Pakhlov, P., Pakhlova, G., Paoloni, E., Pardi, S., Parham, K., Park, H., Park, J., Park, K., Park, S. -H., Paschen, B., Passeri, A., Patra, S., Paul, S., Pedlar, T. K., Peruzzi, I., Peschke, R., Pestotnik, R., Piccolo, M., Piilonen, L. E., Angioni, G. Pinna, Podesta-Lerma, P. L. M., Podobnik, T., Pokharel, S., Praz, C., Prell, S., Prencipe, E., Prim, M. T., Prudiiev, I., Purwar, H., Rados, P., Raeuber, G., Raiz, S., Rauls, N., Ravindran, K., Rehman, J. U., Reif, M., Reiter, S., Remnev, M., Reuter, L., Herrmann, D. Ricalde, Ripp-Baudot, I., Rizzo, G., Robertson, S. H., Roehrken, M., Roney, J. M., Rostomyan, A., Rout, N., Sanders, D. A., Sandilya, S., Santelj, L., Sato, Y., Savinov, V., Scavino, B., Schmitt, C., Schneider, S., Schnepf, M., Schwanda, C., Schwartz, A. J., Seino, Y., Selce, A., Senyo, K., Serrano, J., Sevior, M. E., Sfienti, C., Shan, W., Sharma, C., Shen, C. P., Shi, X. D., Shillington, T., Shimasaki, T., Shiu, J. -G., Shtol, D., Shwartz, B., Sibidanov, A., Simon, F., Singh, J. B., Skorupa, J., Sobie, R. J., Sobotzik, M., Soffer, A., Sokolov, A., Solovieva, E., Song, W., Spataro, S., Spruck, B., Starič, M., Stavroulakis, P., Stefkova, S., Stroili, R., Strube, J., Sue, Y., Sumihama, M., Sumisawa, K., Sutcliffe, W., Suwonjandee, N., Svidras, H., Takahashi, M., Takizawa, M., Tamponi, U., Tanida, K., Tenchini, F., Thaller, A., Tittel, O., Tiwary, R., Torassa, E., Trabelsi, K., Tsaklidis, I., Ueda, I., Uglov, T., Unger, K., Unno, Y., Uno, K., Uno, S., Urquijo, P., Ushiroda, Y., Vahsen, S. E., van Tonder, R., Varvell, K. E., Veronesi, M., Vinokurova, A., Vismaya, V. S., Vitale, L., Vobbilisetti, V., Volpe, R., Vossen, A., Wach, B., Wakai, M., Wallner, S., Wang, E., Wang, M. -Z., Wang, X. L., Wang, Z., Warburton, A., Watanabe, M., Watanuki, S., Wessel, C., Won, E., Xu, X. P., Yabsley, B. D., Yamada, S., Yan, W., Yang, S. B., Yelton, J., Yin, J. H., Yook, Y. M., Yoshihara, K., Yuan, C. Z., Yuan, J., Zani, L., Zeng, F., Zhang, B., Zhilich, V., Zhou, J. S., Zhou, Q. D., Zhukova, V. I., Žlebčík, R.

We present measurements of $B \to K{}^{*}(892)\gamma$ decays using $365\,{\rm fb}^{-1}$ of data collected from 2019 to 2022 by the Belle~II experiment at the SuperKEKB asymmetric-energy $e^+e^-$ collider. The data sample contains $(387 \pm 6) \times

Externí odkaz: http://arxiv.org/abs/2411.10127

Automatic solid form classification in pharmaceutical drug development

Autor: Lange, Julius, Komissarov, Leonid, Lang, Rene, Enkelmann, Dennis Dimo, Anelli, Andrea

In materials and pharmaceutical development, rapidly and accurately determining the similarity between X-ray powder diffraction (XRPD) measurements is crucial for efficient solid form screening and analysis. We present SMolNet, a classifier based on

Externí odkaz: http://arxiv.org/abs/2411.03308