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ORCIDNature Computational Science, Volume 2
Volume 2, Number 1, 2022
- A look back at 2021. 1
- Fernando Chirigati:
Machine learning to guide mathematicians. 2 - Jie Pan:
Mining literature for perovskite solar cells. 3 - Kaitlin McCardle:
Predicting oxidation states iteratively. 4 - Ananya Rastogi:
Effect of spatial sampling on phylogeography. 5 - Mark E. Tuckerman
:
The curse of dimensionality loses its power. 6-7 - Daniel Osório:
Interpretable multi-modal data integration. 8-9 - Catherine D. Schuman, Shruti R. Kulkarni, Maryam Parsa, J. Parker Mitchell, Prasanna Date, Bill Kay:
Opportunities for neuromorphic computing algorithms and applications. 10-19 - Dongdong Wang, Yanze Wang, Junhan Chang, Linfeng Zhang, Han Wang, Weinan E:
Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics. 20-29 - Nikita Gourianov, Michael Lubasch, Sergey Dolgov, Quincy Y. van den Berg, Hessam Babaee, Peyman Givi, Martin Kiffner, Dieter Jaksch:
A quantum-inspired approach to exploit turbulence structures. 30-37 - Nam D. Nguyen, Jiawei Huang, Daifeng Wang:
A deep manifold-regularized learning model for improving phenotype prediction from multi-modal data. 38-46 - Lukas P. A. Arts, Egon L. van den Broek:
The fast continuous wavelet transformation (fCWT) for real-time, high-quality, noise-resistant time-frequency analysis. 47-58 - Phillip J. Brown, J. Edward F. Green, Benjamin J. Binder, James M. Osborne:
Publisher Correction: A rigid body framework for multicellular modeling. 59
Volume 2, Number 2, 2022
- Cover runners-up of 2021. 61
- Fernando Chirigati:
Crypto and technology for the people. 62-63 - Jie Pan:
Reinstating functionality of complex systems. 64 - Ananya Rastogi:
Modeling the building blocks of life. 65 - Kaitlin McCardle:
Theory and experimentation to assess reactivity. 66 - Fernando Chirigati:
Co-occurrence and similarity revisited. 67 - Koji Fukagata:
Towards quantum computing of turbulence. 68-69 - Madhur Srivastava:
Revisiting signal analysis in the big data era. 70-71 - Ata Kalirad, Ralf J. Sommer:
The art of mechanistic modeling in biology. 72-73 - Jean-Baptiste Masson:
Counting biomolecules with Bayesian inference. 74-75 - Cartographs enable interpretation of complex network visualizations. 76-77
- Saurabh Kalikar, Chirag Jain, Md. Vasimuddin, Sanchit Misra:
Accelerating minimap2 for long-read sequencing applications on modern CPUs. 78-83 - Christiane V. R. Hütter, Celine Sin, Felix Müller, Jörg Menche:
Network cartographs for interpretable visualizations. 84-89 - Andrea Scharf, Josh Mitteldorf, Brinda Armstead, Daniel Schneider, He Jin, Zuzana Kocsisova, Chieh-Hsiang Tan, Francesca Sanchez, Brian Brady, Natasha Ram, Gabriel B. Diantonio, Andrea M. Wilson, Kerry Kornfeld:
A laboratory and simulation platform to integrate individual life history traits and population dynamics. 90-101 - J. Shepard Bryan IV, Ioannis Sgouralis, Steve Pressé:
Diffraction-limited molecular cluster quantification with Bayesian nonparametrics. 102-111 - Rasha Atwi, Ying Chen, Keesung Han, Karl T. Mueller, Vijayakumar Murugesan, Nav Nidhi Rajput:
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. 112-122 - Pranesh Padmanabhan, Rajat Desikan, Narendra M. Dixit:
Modeling how antibody responses may determine the efficacy of COVID-19 vaccines. 123-131 - Hao Hou, Brent S. Pedersen, Aaron R. Quinlan:
Author Correction: Balancing efficient analysis and storage of quantitative genomics data with the D4 format and d4tools. 132
Volume 2, Number 3, 2022
- Acing the peer review process. 133
- Kaitlin McCardle, Jie Pan:
Computational chemistry for all. 134-136 - Fernando Chirigati:
Cultural diversity through the lenses of ecology. 137 - Kaitlin McCardle:
Theoretical insights into single-atom catalysts. 138 - Jie Pan:
Machine learning for spectral properties. 139 - Joshua T. Schiffer:
Correlates of protection via modeling. 140-141 - Guillermo E. Parada, Martin Hemberg:
Bridge over troubled transcripts. 142-143 - Vibhuti Gupta:
Post-transplant dynamic risk prediction. 144-145 - Towards accurate predictions of NMR chemical shifts in liquid solutions. 146-147
- Qimin Zhang, Qian Shi, Mingfu Shao:
Accurate assembly of multi-end RNA-seq data with Scallop2. 148-152 - Xueou Liu, Yigeng Cao, Ye Guo, Xiaowen Gong, Yahui Feng, Yao Wang, Mingyang Wang, Mengxuan Cui, Wenwen Guo, Luyang Zhang, Ningning Zhao, Xiaoqiang Song, Xuetong Zheng, Xia Chen, Qiujin Shen, Song Zhang, Zhen Song, Linfeng Li, Sizhou Feng, Mingzhe Han, Xiaofan Zhu, Erlie Jiang, Junren Chen:
Dynamic forecasting of severe acute graft-versus-host disease after transplantation. 153-159 - Ting-Ting Gao, Gang Yan:
Autonomous inference of complex network dynamics from incomplete and noisy data. 160-168 - Yingheng Tang, Jichao Fan, Xinwei Li, Jianzhu Ma, Minghao Qi, Cunxi Yu, Weilu Gao:
Physics-informed recurrent neural network for time dynamics in optical resonances. 169-178 - Ian T. Hoffecker, Alan Shaw, Viktoria Sorokina, Ioanna Smyrlaki, Björn Högberg:
Stochastic modeling of antibody binding predicts programmable migration on antigen patterns. 179-192 - Roxana Zeraati, Tatiana A. Engel, Anna Levina:
A flexible Bayesian framework for unbiased estimation of timescales. 193-204 - Catherine D. Schuman, Shruti R. Kulkarni, Maryam Parsa, J. Parker Mitchell, Prasanna Date, Bill Kay:
Publisher Correction: Opportunities for neuromorphic computing algorithms and applications. 205
Volume 2, Number 4, 2022
- And the Turing Award goes to... 207
- Theresa Stadler, Carmela Troncoso:
Why the search for a privacy-preserving data sharing mechanism is failing. 208-210 - Fernando Chirigati:
A key player in high-performance computing. 211-212 - Jie Pan:
Quantum Monte Carlo guided by quantum computing. 213 - Kaitlin McCardle:
Making light work of hydride transfer. 214 - Ananya Rastogi:
Modeling plant circadian clocks. 215 - Fernando Chirigati:
Gauging urban development with neural networks. 216 - Aditya Goenka, Lin Liu:
Smart lockdowns to control COVID-19. 217-218 - Manish K. Gupta:
The yin-yang codec for archival DNA storage. 219-220 - Antibodies as programmable, bipedal walkers. 221-222
- David J. Haw, Giovanni Forchini, Patrick Doohan, Paula Christen, Matteo Pianella, Robert Johnson, Sumali Bajaj, Alexandra B. Hogan, Peter Winskill, Marisa Miraldo, Peter J. White, Azra C. Ghani, Neil M. Ferguson, Peter C. Smith, Katharina D. Hauck:
Optimizing social and economic activity while containing SARS-CoV-2 transmission using DAEDALUS. 223-233 - Zhi Ping, Shihong Chen, Guangyu Zhou, Xiaoluo Huang, Sha Joe Zhu, Haoling Zhang, Henry H. Lee, Zhaojun Lan, Jie Cui, Tai Chen, Wenwei Zhang, Huanming Yang, Xun Xu, George M. Church, Yue Shen:
Towards practical and robust DNA-based data archiving using the yin-yang codec system. 234-242 - Minjeong Cha, Emine Sumeyra Turali-Emre, Xiongye Xiao, Ji-Young Kim, Paul Bogdan, J. Scott Vanepps, Angela Violi, Nicholas A. Kotov:
Unifying structural descriptors for biological and bioinspired nanoscale complexes. 243-252 - Igor Muniz Soares, Fernando H. F. Camargo, Adriano Marques, Oliver M. Crook:
Improving lab-of-origin prediction of genetically engineered plasmids via deep metric learning. 253-264 - Xiaogen Zhou, Yang Li, Chengxin Zhang, Wei Zheng, Guijun Zhang, Yang Zhang:
Progressive assembly of multi-domain protein structures from cryo-EM density maps. 265-275
Volume 2, Number 5, 2022
- Cracking the code review process. 277
- Thilo Rieg, Emanuel Schwarz:
From mechanistic insight towards clinical implementation using normative modeling. 278-280 - Fernando Chirigati:
Fighting hate speech and misinformation online. 281-283 - Kaitlin McCardle:
Neural-network wavefunctions. 284 - Jie Pan:
Expanding the capability of autonomous microscopy. 285 - Ananya Rastogi:
Impact of aspirin on cancer incidence. 286 - Fernando Chirigati:
AI for resource-constrained medical fields. 287 - Xi-Nian Zuo:
Efficiently pruning brain connectomes. 288-289 - Leo Lahti:
Enhancing biomarkers with co-abundance. 290-291 - Huan Tran:
Accelerating quantum molecular simulations. 292-293 - Universal descriptors to predict interactions of inorganic nanoparticles with proteins. 294-295
- Using metric learning to identify the lab-of-origin of engineered DNA. 296-297
- Varsha Sreenivasan, Sawan Kumar, Franco Pestilli, Partha P. Talukdar, Devarajan Sridharan:
GPU-accelerated connectome discovery at scale. 298-306 - Liwen Xiao, Fengyi Zhang, Fangqing Zhao:
Large-scale microbiome data integration enables robust biomarker identification. 307-316 - Jia Zhao, Gefei Wang, Jingsi Ming, Zhixiang Lin, Yang Wang, Snigdha Agarwal, Aditi Agrawal, Ahmad Al-Moujahed, Alina Alam, Megan A. Albertelli, Paul Allegakoen, Thomas Ambrosi, Jane Antony, Steven Artandi, Fabienne Aujard, Kyle Awayan, Ankit Baghel, Isaac Bakerman, Trygve E. Bakken, Jalal Baruni, Philip Beachy, Biter Bilen, Olga B. Botvinnik, Scott D. Boyd, Deviana Burhan, Kerriann M. Casey, Charles Chan, Charles A. Chang, Stephen Chang, Ming Chen, Michael F. Clarke, Sheela Crasta, Rebecca Culver, Jessica D'Addabbo, Spyros Darmanis, Roozbeh Dehghannasiri, Song-Lin Ding, Connor V. Duffy, Jacques Epelbaum, F. Hernán Espinoza, Camille Ezran, Jean Farup, James E. Ferrell Jr, Hannah K. Frank, Margaret Fuller, Astrid Gillich, Elias Godoy, Dita Gratzinger, Lisbeth A. Guethlein, Yan Hang, Kazuteru Hasegawa, Rebecca D. Hodge, Malachia Hoover, Franklin W. Huang, Kerwyn Casey Huang, Shelly Huynh, Taichi Isobe, Carly Israel, Sori Jang, Qiuyu Jing, Robert C. Jones, Jengmin Kang, Caitlin J. Karanewsky, Jim Karkanias, Justus Kebschull, Aaron Kershner, Lily Kim, Seung K. Kim, E. Christopher Kirk, Winston Koh, Silvana Konermann, William Kong, Mark A. Krasnow, Christin Kuo, Corinne Lautier, Song Eun Lee, Ed S. Lein, Rebecca Lewis, Peng Li, Shengda Lin, Shixuan Liu, Yin Liu, Gabriel Loeb, Jonathan Z. Long, Wan-Jin Lu, Katherine Lucot, Liqun Luo, Aaron McGeever, Ross Metzger, Jingsi Ming, Thomas J. Montine, Antoine de Morree, Maurizio Morri, Karim Mrouj, Shravani Mukherjee, Ahmad Nabhan, Saba Nafees, Norma Neff, Patrick Neuhöfer, Patricia Nguyen, Jennifer Okamoto, Julia Eve Olivieri, Youcef Ouadah, Honor Paine, Peter Parham, Jozeph L. Pendleton, Lolita Penland, Martine Perret, Angela Oliveira Pisco, Zhen Qi, Stephen R. Quake, Ute Radespiel, Thomas A. Rando, Hajanirina Noëline Ravelonjanahary, Andriamahery Razafindrakoto, Julia Salzman, Nicholas Schaum, Robert Schopler, Bronwyn Scott, Liza Shapiro, Hosu Sin, Rahul Sinha, Rene Sit, Geoff Stanley, Lubert Stryer, Varun Ramanan Subramaniam, Aditi Swarup, Weilun Tan, Alexander Tarashansky, Aris Taychameekiatchai, Jérémy Terrien, Kyle J. Travaglini, Andoni Urtasun, Sivakamasundari, Avin Veerakumar, Venkata Naga Pranathi Vemuri, Jean-Michel Verdier, Iwijn De Vlaminck, Douglas Vollrath, Bo Wang, Bruce Wang, Gefei Wang, Michael F. Z. Wang, Sheng Wang, James Webber, Hannah Weinstein, Irving L. Weissman, Amanda L. Wiggenhorn, Cathy V. Williams, Patricia Wright, Albert Y. Wu, Angela Ruohao Wu, Tony Wyss-Coray, Bao Xiang, Jia Yan, Can Yang, Jinxurong Yang, Anne D. Yoder, Brian Yu, Andrea R. Yung, Yue Zhang, Jia Zhao, Zicheng Zhao:
Adversarial domain translation networks for integrating large-scale atlas-level single-cell datasets. 317-330 - Michael Scherbela, Rafael Reisenhofer, Leon Gerard, Philipp Marquetand, Philipp Grohs:
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks. 331-341 - Xueou Liu, Yigeng Cao, Ye Guo, Xiaowen Gong, Yahui Feng, Yao Wang, Mingyang Wang, Mengxuan Cui, Wenwen Guo, Luyang Zhang, Ningning Zhao, Xiaoqiang Song, Xuetong Zheng, Xia Chen, Qiujin Shen, Song Zhang, Zhen Song, Linfeng Li, Sizhou Feng, Mingzhe Han, Xiaofan Zhu, Erlie Jiang, Junren Chen:
Author Correction: Dynamic forecasting of severe acute graft-versus- host disease after transplantation. 342 - Ting-Ting Gao, Gang Yan:
Publisher Correction: Autonomous inference of complex network dynamics from incomplete and noisy data. 343
Volume 2, Number 6, 2022
- Enough is enough. 345
- Anirudh S. Chellappa, Madhulika Sahoo, Swagatika Sahoo:
Gender inequality infiltrates the in silico modeling world. 346-347 - Ananya Rastogi:
Digging deeper into the gut microbiome. 348-349 - Kaitlin McCardle:
Theoretical progress toward sustainable batteries. 350 - Jie Pan:
Stabilizing quantum GANs. 351 - Ananya Rastogi:
Cellular scale modeling of cytoskeletal assemblies. 352 - Ananya Rastogi:
Neuromechanical modeling of adult fly. 353 - Xin Zhou:
Graphing cell relations in spatial transcriptomics. 354-355 - Majid Khabbazian, Hosna Jabbari:
AI-powered aptamer generation. 356-357 - Ricardo Vinuesa, Steven L. Brunton:
Enhancing computational fluid dynamics with machine learning. 358-366 - He Li, Zun Wang, Nianlong Zou, Meng Ye, Runzhang Xu, Xiaoxun Gong, Wenhui Duan, Yong Xu:
Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation. 367-377 - Natsuki Iwano, Tatsuo Adachi, Kazuteru Aoki, Yoshikazu Nakamura, Michiaki Hamada:
Generative aptamer discovery using RaptGen. 378-386 - Xiaoqiao Chen, Sisi Chen, Matt Thomson:
Minimal gene set discovery in single-cell mRNA-seq datasets with ActiveSVM. 387-398 - Jiachen Li, Siheng Chen, Xiaoyong Pan, Ye Yuan, Hong-Bin Shen:
Cell clustering for spatial transcriptomics data with graph neural networks. 399-408
Volume 2, Number 7, 2022
- Mathematics, the queen of sciences. 409
- Jie Pan:
Quantum experiment design via interpretable DL. 410 - Kaitlin McCardle:
A move in the light direction. 411 - Fernando Chirigati:
Effects of mutations on SARS-CoV-2 fitness. 412 - Ananya Rastogi:
Modeling and combating misinformation spread. 413 - Boris Kramer:
Learning state variables for physical systems. 414-415 - Jue Wang:
Protein sequence design by deep learning. 416-417 - Improving the efficiency of ab initio electronic-structure calculations by deep learning. 418-419
- ActiveSVM selects minimal gene sets from gene expression data. 420-421
- Graph embedding enables cell identification from spatial transcripts. 422-423
- Christian Vorwerk, Nan Sheng, Marco Govoni, Benchen Huang, Giulia Galli:
Quantum embedding theories to simulate condensed systems on quantum computers. 424-432 - Boyuan Chen, Kuang Huang, Sunand Raghupathi, Ishaan Chandratreya, Qiang Du, Hod Lipson:
Automated discovery of fundamental variables hidden in experimental data. 433-442 - Wenbin Xu, Karsten Reuter, Mie Andersen:
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. 443-450 - Yufeng Liu, Lu Zhang, Weilun Wang, Min Zhu, Chenchen Wang, Fudong Li, Jiahai Zhang, Houqiang Li, Quan Chen, Haiyan Liu:
Rotamer-free protein sequence design based on deep learning and self-consistency. 451-462
Volume 2, Number 8, 2022
- Turing patterns, 70 years later. 463-464
- Raymond R. Tan, Kathleen B. Aviso, Dominic C. Y. Foo, Maria Victoria Migo-Sumagang, Purusothmn Nair S. Bhasker Nair, Michael Short:
Computing optimal carbon dioxide removal portfolios. 465-466 - Fernando Chirigati:
Bringing the pulsatile release system to light. 467 - Jie Pan:
Improving segregation prediction. 468 - Kaitlin McCardle:
The value of quantum effects in reaction rates. 469 - Ananya Rastogi:
Network science to study the origins of life. 470 - John Meluso:
Model supports storied social network theory. 471-472 - Stefano Di Talia:
Geometry and symmetry-breaking in cell polarity. 473-474 - Stefano Recanatesi:
Untangling network information flow. 475-476 - Machine learning reveals how complex molecules bind to catalyst surfaces. 477-478
- Elena Cuoco, Barbara Patricelli, Alberto Iess, Filip Morawski:
Computational challenges for multimodal astrophysics. 479-485 - Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao, Aron Walsh, Xin-Gao Gong, Suhuai Wei, Shiyou Chen:
Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations. 486-493 - Daniel Carmody, Martina Mazzarello, Paolo Santi, Trevor Harris, Sune Lehmann, Timur Abbiasov, Robin Dunbar, Carlo Ratti:
The effect of co-location on human communication networks. 494-503 - Pearson W. Miller, Daniel Fortunato, Cyrill B. Muratov, Leslie Greengard, Stanislav Y. Shvartsman:
Forced and spontaneous symmetry breaking in cell polarization. 504-511 - Evren Gokcen, Anna Jasper, João D. Semedo, Amin Zandvakili, Adam Kohn, Christian K. Machens, Byron M. Yu:
Disentangling the flow of signals between populations of neurons. 512-525 - Yufeng Liu, Lu Zhang, Weilun Wang, Min Zhu, Chenchen Wang, Fudong Li, Jiahai Zhang, Houqiang Li, Quan Chen, Haiyan Liu:
Publisher Correction: Rotamer-free protein sequence design based on deep learning and self-consistency. 526
Volume 2, Number 9, 2022
- A computational perspective on the Nobel Prize. 527-528
- Alex Zunger:
Bridging the gap between density functional theory and quantum materials. 529-532 - Stephen Shang, Xiangmeng S. Cai, Lei S. Qi:
Computation empowers CRISPR discovery and technology. 533-535 - Mojib Latif:
The roadmap of climate models. 536-538 - Kaitlin McCardle:
A collective effort for building DFT. 539-541 - Kaitlin McCardle:
Curiosity-driven method development. 542-544 - Fernando Chirigati:
The Universe's expansion in the eyes of computers. 545-547 - Kaitlin McCardle:
Quantum mechanics guided by simplicity. 548-549 - Jie Pan:
Making complex systems computable. 550-552 - Fernando Chirigati:
How to change harmful beliefs. 553 - Jie Pan:
Mathematically probing membrane fluctuations. 554 - Iryna Omelchenko:
Controlling patterns of synchrony. 555 - Kaitlin McCardle:
Accelerated mass spectra analysis. 556 - Christian Kuttner:
Escaping the local catalytic activity space. 557 - Ananya Rastogi:
DNA clustering made more efficient. 558 - Lauren McGough:
Getting the most out of noisy surveillance data. 559-560 - Kathy Leung, Jayson S. Jia, Joseph T. Wu:
Mixing patterns and the spread of pandemics. 561-562 - Calculating effective carrier lifetimes in semiconductor crystals under realistic conditions. 563-564
- Machine learning approach finds nonlinear patterns of neurodegenerative disease progression. 565-566
- Marco Cerezo, Guillaume Verdon, Hsin-Yuan Huang, Lukasz Cincio, Patrick J. Coles:
Challenges and opportunities in quantum machine learning. 567-576 - Can Kizilkale, Farid Rashidi Mehrabadi, Erfan Sadeqi Azer, Eva Pérez-Guijarro, Kerrie Marie, Maxwell P. Lee, Chi-Ping Day, Glenn Merlino, Funda Ergün, Aydin Buluç, Süleyman Cenk Sahinalp, Salem Malikic:
Fast intratumor heterogeneity inference from single-cell sequencing data. 577-583 - Kris V. Parag, Christl A. Donnelly, Alexander Eugene Zarebski:
Quantifying the information in noisy epidemic curves. 584-594 - Qingtao Cao, Babak Heydari:
Micro-level social structures and the success of COVID-19 national policies. 595-604 - Divya Ramamoorthy, Kristen Severson, Soumya Ghosh, Karen Sachs, Emily G. Baxi, Alyssa N. Coyne, Elizabeth Mosmiller, Lindsey Hayes, Aianna Cerezo, Omar Ahmad, Promit Roy, Steven Zeiler, John W. Krakauer, Jonathan Li, Aneesh Donde, Nhan Huynh, Miriam Adam, Brook T. Wassie, Alexander LeNail, Natasha Leanna Patel-Murray, Yogindra Raghav, Velina Kozareva, Stanislav Tsitkov, Tobias Ehrenberger, Julia A. Kaye, Leandro Lima, Stacia K. Wyman, Edward Vertudes, Naufa Amirani, Krishna Raja, Reuben Thomas, Ryan G. Lim, Ricardo Miramontes, Jie Wu, Vineet Vaibhav, Andrea Matlock, Vidya Venkatraman, Ronald Holewenski, Niveda Sundararaman, Rakhi Pandey, Danica-Mae Manalo, Aaron Frank, Loren Ornelas, Lindsey Panther, Emilda Gomez, Erick Galvez, Daniel Pérez, Imara Meepe, Susan Lei, Louis Pinedo, Chunyan Liu, Ruby Moran, Dhruv Sareen, Barry Landin, Carla Agurto, Guillermo A. Cecchi, Raquel Norel, Sara Thrower, Sarah Luppino, Alanna Farrar, Lindsay Pothier, Hong Yu, Ervin Sinani, Prasha Vigneswaran, Alexander V. Sherman, S. Michelle Farr, Berhan Mandefro, Hannah Trost, Maria G. Banuelos, Veronica Garcia, Michael Workman, Richie Ho, Robert Baloh, Jennifer Roggenbuck, Matthew B. Harms, Carolyn Prina, Sarah Heintzman, Stephen Kolb, Jennifer Stocksdale, Keona Wang, Todd Morgan, Daragh Heitzman, Arish Jamil, Jennifer Jockel-Balsarotti, Elizabeth Karanja, Jesse Markway, Molly McCallum, Tim Miller, Ben Joslin, Deniz Alibazoglu, Senda Ajroud-Driss, Jay C. Beavers, Mary Bellard, Elizabeth Bruce, Nicholas J. Maragakis, Merit E. Cudkowicz, James D. Berry, Terri Thompson, Steven Finkbeiner, Leslie M. Thompson, Jennifer E. Van Eyk, Clive N. Svendsen, Jeffrey D. Rothstein, Jonathan D. Glass, Christina N. Fournier, Alexander Sherman, Christian Lunetta, David Walk, Ghazala Hayat, James Wymer, Kelly Gwathmey, Nicholas Olney, Terry Heiman-Patterson, Ximena Arcila-Londono, Kenneth Faulconer, Ervin Sanani, Alex Berger, Julia Mirochnick, Todd M. Herrington, Kenney Ng, Ernest Fraenkel:
Identifying patterns in amyotrophic lateral sclerosis progression from sparse longitudinal data. 605-616
Volume 2, Number 10, 2022
- Dos and don'ts in a cover letter. 617
- Harry Geddes:
Rational design of mechanical metamaterials. 618 - Jie Pan:
Machine learning proved efficient. 619 - Kaitlin McCardle:
Classical-quantum advantage boundary for enzymes. 620 - Iryna Omelchenko:
Keeping the power grid stable. 621 - Fernando Chirigati:
Nowcasting food security. 622 - Ananya Rastogi:
Making sense of bacterial toxin evolution. 623 - Francesco Dal Corso:
Bio-inspired adaptive grasper by chiral wrinkling. 624-625 - Paul Romatschke:
Simulating fluids, gases and everything in between. 626-627 - Maurice J. Chacron:
The role of ADM in brain function. 628-629 - Designing efficient urban bike path networks that meet the needs of cyclists. 630-631
- Fan Xu, Yangchao Huang, Shichen Zhao, Xi-Qiao Feng:
Chiral topographic instability in shrinking spheres. 632-640 - Victor E. Ambrus, Lorenzo Bazzanini, Alessandro Gabbana, Daniele Simeoni, Sauro Succi, Raffaele Tripiccione:
Fast kinetic simulator for relativistic matter. 641-654 - Christoph Steinacker, David-Maximilian Storch, Marc Timme, Malte Schröder:
Demand-driven design of bicycle infrastructure networks for improved urban bikeability. 655-664 - Afroditi Talidou, Paul W. Frankland, Donald Mabbott, Jérémie Lefebvre:
Homeostatic coordination and up-regulation of neural activity by activity-dependent myelination. 665-676 - Juan Li, Xiaowei Zhao, Bing Li, Charlotte S. L. Rossetti, Christian Hilbe, Haoxiang Xia:
Evolution of cooperation through cumulative reciprocity. 677-686
Volume 2, Number 11, 2022
- Pioneering quantum information science. 687-688
- Tammie R. Nelson, Sebastian Fernandez Alberti, Sergei Tretiak:
Modeling excited-state molecular dynamics beyond the Born-Oppenheimer regime. 689-692 - Jie Pan:
Active learning for alloy design. 693 - Sumin Jin:
Making heat capacity prediction more reliable. 694 - Kaitlin McCardle:
On the cost-accuracy trade-off in electrolytes. 695 - Iryna Omelchenko:
Reducing the network dimensionality. 696 - Fernando Chirigati:
Computational models of social learning. 697 - Ananya Rastogi:
Learning about few-shot concept learning. 698 - Leonardo Banchi:
Robust quantum classifiers via NISQ adversarial learning. 699-700 - Katrin Erk:
Understanding the combined meaning of words. 701-702 - Expanding materials science with universal many-body graph neural networks. 703-704
- Predicting the shape of crystals with 'unknowable' surface energies. 705-706
- Single-cell-specific drug activities are revealed by a tensor imputation algorithm. 707-708
- Cumulative reciprocity can sustain cooperation in repeated social interactions. 709-710
- Wenhui Ren, Weikang Li, Shibo Xu, Ke Wang, Wenjie Jiang, Feitong Jin, Xuhao Zhu, Jiachen Chen, Zixuan Song, Pengfei Zhang, Hang Dong, Xu Zhang, Jinfeng Deng, Yu Gao, Chuanyu Zhang, Yaozu Wu, Bing Zhang, Qiujiang Guo, Hekang Li, Zhen Wang, Jacob D. Biamonte, Chao Song, Dong-Ling Deng, Haohua Wang:
Experimental quantum adversarial learning with programmable superconducting qubits. 711-717 - Chi Chen, Shyue Ping Ong:
A universal graph deep learning interatomic potential for the periodic table. 718-728 - Luqing Wang, Sharmila N. Shirodkar, Zhuhua Zhang, Boris I. Yakobson:
Defining shapes of two-dimensional crystals with undefinable edge energies. 729-735 - Siyuan Chen, Shiwei Zhang:
A structural optimization algorithm with stochastic forces and stresses. 736-744 - Mariya Toneva, Tom M. Mitchell, Leila Wehbe:
Combining computational controls with natural text reveals aspects of meaning composition. 745-757 - Michio Iwata, Hiroaki Mutsumine, Yusuke Nakayama, Naomasa Suita, Yoshihiro Yamanishi:
Pathway trajectory analysis with tensor imputation reveals drug-induced single-cell transcriptomic landscape. 758-770 - Pearson W. Miller, Daniel Fortunato, Cyrill B. Muratov, Leslie Greengard, Stanislav Y. Shvartsman:
Author Correction: Forced and spontaneous symmetry breaking in cell polarization. 771 - Yuan Ping, Tyler J. Smart:
Author Correction: Computational design of quantum defects in two-dimensional materials. 772
Volume 2, Number 12, 2022
- Seamless sharing and peer review of code. 773
- Iryna Omelchenko:
Artificial agents that negotiate and reach agreements. 774 - Yang Shen:
Predicting protein structure from single sequences. 775-776 - Haitao Liu:
Efficient simulators for multi-source nanophotonics. 777-778 - Zachary del Rosario, Mason del Rosario:
Synthesizing domain science with machine learning. 779-780 - Pieter Meysman:
Simulations that capture antigen-antibody complexity. 781-782 - The meaning emerging from combining words can be detected in space but not time. 783-784
- Joseph D. Butner, Prashant Dogra, Caroline Chung, Renata Pasqualini, Wadih Arap, John S. Lowengrub, Vittorio Cristini, Zhihui Wang:
Mathematical modeling of cancer immunotherapy for personalized clinical translation. 785-796 - Zhenxian Zheng, Shumin Li, Junhao Su, Amy Wing-Sze Leung, Tak Wah Lam, Ruibang Luo:
Symphonizing pileup and full-alignment for deep learning-based long-read variant calling. 797-803 - Wenkai Wang, Zhenling Peng, Jianyi Yang:
Single-sequence protein structure prediction using supervised transformer protein language models. 804-814 - Ho-Chun Lin, Zeyu Wang, Chia Wei Hsu:
Fast multi-source nanophotonic simulations using augmented partial factorization. 815-822 - Ethan Pickering, Stephen Guth, George Em Karniadakis, Themistoklis P. Sapsis:
Discovering and forecasting extreme events via active learning in neural operators. 823-833 - Joseph Bakarji, Jared Callaham, Steven L. Brunton, J. Nathan Kutz:
Dimensionally consistent learning with Buckingham Pi. 834-844 - Philippe A. Robert, Rahmad Akbar, Robert Frank, Milena Pavlovic, Michael Widrich, Igor Snapkov, Andrei Slabodkin, Maria Chernigovskaya, Lonneke Scheffer, Eva Smorodina, Puneet Rawat, Brij Bhushan Mehta, Mai Ha Vu, Ingvild Frøberg Mathisen, Aurél Prósz, Krzysztof Abram, Alex Olar, Enkelejda Miho, Dag Trygve Tryslew Haug, Fridtjof Lund-Johansen, Sepp Hochreiter, Ingrid Hobæk Haff, Günter Klambauer, Geir Kjetil Sandve, Victor Greiff:
Unconstrained generation of synthetic antibody-antigen structures to guide machine learning methodology for antibody specificity prediction. 845-865 - Luqing Wang, Sharmila N. Shirodkar, Zhuhua Zhang, Boris I. Yakobson:
Publisher Correction: Defining shapes of two-dimensional crystals with undefinable edge energies. 866
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