Multi-view biomedical foundation models for molecule-target and property prediction

Autor: Suryanarayanan, Parthasarathy, Qiu, Yunguang, Sethi, Shreyans, Mahajan, Diwakar, Li, Hongyang, Yang, Yuxin, Eyigoz, Elif, Saenz, Aldo Guzman, Platt, Daniel E., Rumbell, Timothy H., Ng, Kenney, Dey, Sanjoy, Burch, Myson, Kwon, Bum Chul, Meyer, Pablo, Cheng, Feixiong, Hu, Jianying, Morrone, Joseph A.

Foundation models applied to bio-molecular space hold promise to accelerate drug discovery. Molecular representation is key to building such models. Previous works have typically focused on a single representation or view of the molecules. Here, we d

Externí odkaz: http://arxiv.org/abs/2410.19704

Informing clinical assessment by contextualizing post-hoc explanations of risk prediction models in type-2 diabetes

Autor: Chari, Shruthi, Acharya, Prasant, Gruen, Daniel M., Zhang, Olivia, Eyigoz, Elif K., Ghalwash, Mohamed, Seneviratne, Oshani, Saiz, Fernando Suarez, Meyer, Pablo, Chakraborty, Prithwish, McGuinness, Deborah L.

Publikováno v: Artificial Intelligence in Medicine; Vol. 137, Pg: 102498, 2023

Medical experts may use Artificial Intelligence (AI) systems with greater trust if these are supported by contextual explanations that let the practitioner connect system inferences to their context of use. However, their importance in improving mode

Externí odkaz: http://arxiv.org/abs/2302.05752

Crowd-sourced machine learning prediction of long COVID using data from the National COVID Cohort Collaborative

Autor: Aggarwal, Ataes, Agor, Joseph, Al-Amery, Amera, Aminu, Oluwatobiloba, Anand, Adit, Antonescu, Corneliu, Arora, Mehak, Asaduzzaman, Sayed, Asmussen, Tanner, Baghbanzadeh, Mahdi, Baker, Frazier, Bangert, Bridget, Bekhet, Laila, Bhattacharya, Biplab, Blase, Jenny, Butzin-Dozier, Zachary, Caffo, Brian, Chang, Hao, Chen, Zeyuan, Chen, Jiandong, Chiang, Jeffrey, Cho, Peter, Cockrell, Robert, Combs, Parker, Coyle, Jeremy, Crosby, Ciara, Dai, Zongyu, Dai, Ran, Danesharasteh, Anseh, Yildirim, Elif, Delong, Grant, Demilt, Ryan, Deng, Kaiwen, Dey, Sanjoy, Dhamdhere, Rohan, Dickson, Andrew, Dijour, Phoebe, Dinh, Dong, Dixon, Richard, Domi, Albi, Dutta, Souradeep, Elizondo, Mirna, Ertem, Zeynep, Feuerwerker, Solomon, Fliss, Danica, Fowler, Jennifer, Fu, Sunyang, Gardner, Kelly, Getty, Neil, Ghalwash, Mohamed, Gloster, Logan, Greer, Phil, Guan, Yuanfang, Ham, Colby, Hanoudi, Samer, Harper, Jeremy, Hendrix, Nathaniel, Hershkovich, Leeor, Hightower, Jake, Hu, Junjie, Huang, Jiani, Huang, Yu, Huang, Tongtong, Hur, Junguk, Isgut, Monica, Ismail, Hamid, Izmirlian, Grant, Jang, Kuk, Jemiyo, Christianah, Jeong, Hayoung, Ji, Yunwen, Ji, Xiayan, Jiang, Ming, Jiang, Sihang, Jiang, Xiaoqian, Jiang, Yuye, Johnson, Akin, Analyst, Zach, Kapse, Saarthak, Kartoun, Uri, KC, Dukka, Fard, Zahra, Kosfeld, Tim, Krichevsky, Spencer, Kuo, Mike, Larie, Dale, Lederer, Lauren, Leng, Shan, Li, Ziyang, Li, Hongyang, Li, Haodong, Li, Jianfu, Li, Tiantian, Liang, Xinwen, Liang, Hengyue, Liu, Feifan, Liu, Daniel, Luo, Gang, Munia, Tamanna, Madduri, Ravi, Madhira, Vithal, Mani, Shivali, Mansourifard, Farzaneh, Matson, Robert, Mertens, Andrew, Metsis, Vangelis, Meyer, Pablo, Mikhailova, Catherine, Miller, Dante, Milo, Christopher, Mitchell, Elliot, Modanwal, Gourav, Moore, Ronald, Morgenthaler, David, Musal, Rasim, Naik, Mayur, Nalawade, Vinit, Narain, Rohan, Narendrula, Saideep, Obiri, Alena, Okawa, Satoshi, Okechukwu, Chima, Olorunnisola, Toluwanimi, Ossowski, Tim, Parekh, Harsh, Park, Jean, Patel, Saaya, Patterson, Jason, Paul, Chetan, Peng, Le, Perkins, Diana, Pokharel, Suresh, Poplavskiy, Dmytro, Pryor, Zach, Pungitore, Sarah, Qin, Hong, Rababa, Salahaldeen, Rahman, Mahbubur, Rahmani, Elior, Rahnavard, Gholamali, Raihan, Md, Rajendran, Suraj, Ravichandran, Sarangan, Reddy, Chandan, Reyes, Abel, Roghanizad, Ali, Rouffa, Sean, Ruan, Xiaoyang, Saha, Arpita, Sawant, Sahil, Schiaffino, Melody, Seira, Diego, Sengupta, Saurav, Shalaev, Ruslan, Shetty, Gaurav, Shi, Seraphina, Shinguyen, Linh, Singh, Karnika, Sinha, Soumya, Socia, Damien, Stalians, Halen, Stavropoulos, Charalambos, Strube, Jan, Subramanian, Devika, Sun, Jiehuan, Sun, Ju, Sun, Chengkun, Sundararajan, Prathic, Talebi, Salmonn, Tawiah, Edward, Tesic, Jelena, Thiess, Mikaela, Tian, Raymond, Torre-Healy; Ming-Tse Tsai, Luke, Tyus, David, Vardhan, Madhurima, Velingker, Neelay, Walzer, Benjamin, Walzer, Jacob, Wang, Junda, Wang, Lu, Wang, Will, Wang, Jonathan, Wang, Yisen, Weatherly, Chad, Wu, Fanyou, Wu, Yifeng, Wu, Yinjun, Xia, Fangfang, Yan, Hao, Yang, Zhichao, Ye, Biao, Yin, Rui, Yin, Changyu, Yoo, Yun, You, Albert, Yu, June, Zanaj, Martin, Zaiman, Zachary, Zhang, Kai, Zhang, Xiaoyi, Zhang, Tianmai, Zhao, Zixuan, Zhi, Degui, Zhong, Yishan, Zhou, Huixue, Zhou, Andrea, Zhu, Yuanda, Zhu, Yitan, Zhu, Sophie, Adams, Meredith, Alexander, Caleb, Amor, Benjamin, Anzalone, Alfred, Bates, Benjamin, Beasley, Will, Bennett, Tellen, Bissell, Mark, Boudreau, Eilis, Bozzette, Samuel, Bradwell, Katie, Bramante, Carolyn, Brown, Don, Burgoon, Penny, Buse, John, Callahan, Tiffany, Cato, Kenrick, Chapman, Scott, Chute, Christopher, Clark, Jaylyn, Clark, Marshall, Cooper, Will, Cottrell, Lesley, Crowley, Karen, Deacy, Mariam, Dillon, Christopher, Eichmann, David, Emmett, Mary, Erwin-Cohen, Rebecca, Francis, Patricia, French, Evan, Fuentes, Rafael, Gabriel, Davera, Gagnier, Joel, Garbarini, Nicole, Ge, Jin, Gersing, Kenneth, Girvin, Andrew, Gordon, Valery, Graves, Alexis, Guinney, Justin, Haendel, Melissa, Hayanga, J.W., Hendricks, Brian, Hernandez, Wenndy, Hill, Elaine, Hillegass, William, Hong, Stephanie, Housman, Dan, Hurley, Robert, Islam, Jessica, Jawa, Randeep, Johnson, Steve, Kamaleswaran, Rishi, Kibbe, Warren, Koraishy, Farrukh, Kostka, Kristin, Kurilla, Michael, Lee, Adam, Lehmann, Harold, Liu, Hongfang, Loomba, Johanna, Madlock-Brown; Sandeep Mallipattu, Charisse, Manna, Amin, Mariona, Federico, Marti, Emily, Martin, Greg, Mathew, Jomol, Mazzotti, Diego, McMurry, Julie, Mehta, Hemalkumar, Michael, Sam, Miller, Robert, Misquitta, Leonie, Moffitt, Richard, Morris, Michele, Murray, Kimberly, Northington, Lavance, O’Neil, Shawn, Olex, Amy, Palchuk, Matvey, Patel, Brijesh, Patel, Rena, Payne, Philip, Pfaff, Emily, Pincavitch, Jami, Portilla, Lili, Prior, Fred, Pyarajan, Saiju, Pyles, Lee, Qureshi, Nabeel, Robinson, Peter, Rutter, Joni, Sadan, Ofer, Safdar, Nasia, Saha, Amit, Saltz, Joel, Saltz, Mary, Schmitt, Clare, Setoguchi, Soko, Sharafeldin, Noha, Sharathkumar, Anjali, Sheikh, Usman, Sidky, Hythem, Sokos, George, Southerland, Andrew, Spratt, Heidi, Starren, Justin, Subbian, Vignesh, Suver, Christine, Takemoto, Cliff, Temple-O'Connor, Meredith, Topaloglu, Umit, Vedula, Satyanarayana, Walden, Anita, Walters, Kellie, Ward-Caviness, Cavin, Wilcox, Adam, Wilkins, Ken, Williams, Andrew, Wu, Chunlei, Zampino, Elizabeth, Zhang, Xiaohan, Zhu, Richard, Bergquist, Timothy, Tariq, Adbul, Philips, Rachael V., Pirracchio, Romain, van der Laan, Mark, Colford, John M., Jr., Hubbard, Alan, Gao, Jifan, Chen, Guanhua, Stein, Adam, Long, Qi, Holmes, John, Mowery, Danielle, Wong, Eric, Parekh, Ravi, Getzen, Emily, Blase, Jennifer

Publikováno v: In eBioMedicine October 2024 108

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Reducing overfitting in challenge-based competitions

Autor: Neto, Elias Chaibub, Hoff, Bruce R, Bare, Chris, Bot, Brian M, Yu, Thomas, Magravite, Lara, Trister, Andrew D, Norman, Thea, Meyer, Pablo, Saez-Rodrigues, Julio, Costello, James C, Guinney, Justin, Stolovitzky, Gustavo

Over-fitting is a dreaded foe in challenge-based competitions. Because participants rely on public leaderboards to evaluate and refine their models, there is always the danger they might over-fit to the holdout data supporting the leaderboard. The re

Externí odkaz: http://arxiv.org/abs/1607.00091