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arXiv 2022年

作者： Dittmer, Sören Roberts, Michael Gilbey, Julian Biguri, Ander Preller, Jacobus Rudd, James H.F. Aston, John A.D. Schönlieb, Carola-Bibiane Selby, Ian Breger, Anna Thorpe, Matthew Weir-McCall, Jonathan R. Gkrania-Klotsas, Effrossyni Korhonen, Anna Jefferson, Emily Langs, Georg Yang, Guang Prosch, Helmut Stanczuk, Jan Tang, Jing Babar, Judith Sánchez, Lorena Escudero Teare, Philip Patel, Mishal Wassin, Marcel Holzer, Markus Walton, Nicholas Lió, Pietro Shadbahr, Tolou Sala, Evis Department of Applied Mathematics and Theoretical Physics University of Cambridge Cambridge United Kingdom Addenbrooke’s Hospital Cambridge University Hospitals NHS Trust Cambridge United Kingdom Department of Medicine University of Cambridge Cambridge United Kingdom Department of Pure Mathematics and Mathematical Statistics University of Cambridge Cambridge United Kingdom ZeTeM University of Bremen Bremen Germany Department of Radiology University of Cambridge Cambridge United Kingdom Faculty of Mathematics University of Vienna Austria Department of Mathematics University of Manchester Manchester United Kingdom Royal Papworth Hospital Cambridge Royal Papworth Hospital NHS Foundation Trust Cambridge United Kingdom Language Technology Laboratory University of Cambridge Cambridge United Kingdom Population Health and Genomics School of Medicine University of Dundee Dundee United Kingdom Department of Biomedical Imaging and Image-guided Therapy Computational Imaging Research Lab Medical University of Vienna Vienna Austria National Heart and Lung Institute Imperial College London London United Kingdom Research Program in Systems Oncology Faculty of Medicine University of Helsinki Helsinki Finland Data Science & Artificial Intelligence AstraZeneca Cambridge United Kingdom Clinical Pharmacology & Safety Sciences AstraZeneca Cambridge United Kingdom Contextflow GmbH Vienna Austria Institute of Astronomy University of Cambridge Cambridge United Kingdom Department of Computer Science and Technology University of Cambridge Cambridge United Kingdom

In this perspective, we argue that despite the democratization of powerful tools for data science and machine learning over the last decade, developing the code for a trustworthy and effective data science system (DSS) is getting harder. Perverse incentives and a lack of widespread software engineering (SE) skills are among many root causes we identify that naturally give rise to the current systemic crisis in reproducibility of DSSs. We analyze why SE and building large complex systems is, in general, hard. Based on these insights, we identify how SE addresses those difficulties and how we can apply and generalize SE methods to construct DSSs that are fit for purpose. We advocate two key development philosophies, namely that one should incrementally grow – not biphasically plan and build – DSSs, and one should always employ two types of feedback loops during development: one which tests the code’s correctness and another that evaluates the code’s efficacy. Copyright © 2022, The Authors. All rights reserved.

关键词： Software engineering

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Reed-Muller codes polarize

arXiv

引用

arXiv 2019年

作者： Abbe, Emmanuel Ye, Min Mathematics Institute School of Computer and Communication Sciences Epfl Switzerland Program in Applied and Computational Mathematics Department of Electrical Engineering Princeton University United States Department of Electrical Engineering Princeton University PrincetonNJ United States

Reed-Muller (RM) codes and polar codes are generated by the same matrix Gm= [1 0/1 1]⊗mbut using different subset of rows. RM codes select simply rows having largest weights. Polar codes select instead rows having the largest conditional mutual information proceeding top to down in Gm;while this is a more elaborate and channel-dependent rule, the top-to-down ordering has the advantage of making the conditional mutual information polarize, giving directly a capacity-achieving code on any binary memoryless symmetric channel (BMSC). RM codes are yet to be proved to have such property. In this paper, we reconnect RM codes to polarization theory. It is shown that proceeding in the RM code ordering, i.e., not top-to-down but from the lightest to the heaviest rows in Gm, the conditional mutual information again polarizes. We further demonstrate that it does so faster than for polar codes. This implies that Gmcontains another code, different than the polar code and called here the twin code, that is provably capacity-achieving on any BMSC. This proves a necessary condition for RM codes to achieve capacity on BMSCs. It further gives a sufficient condition if the rows with largest conditional mutual information correspond to the heaviest rows, i.e., if the twin code is the RM code. We show here that the two codes bare similarity with each other and give further evidence that they are likely the same. Copyright © 2019, The Authors. All rights reserved.

关键词： Forward error correction

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Optimized large hyperuniform binary colloidal suspensions in two dimensions

arXiv

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arXiv 2020年

作者： Ma, Zheng Lomba, Enrique Torquato, Salvatore Department of Physics Princeton University PrincetonNJ08544 United States Instituto de Química Física Rocasolano CSIC Calle Serrano 119 MadridE-28006 Spain Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

The creation of disordered hyperuniform materials with potentially extraordinary optical properties requires a capacity to synthesize large samples that are effectively hyperuniform down to the nanoscale. Motivated by this challenge, we propose a fabrication protocol using binary paramagnetic colloidal particles confined in a 2D plane. The strong and long-ranged dipolar interaction induced by a tunable magnetic field is free from screening effects that attenuates long-ranged electrostatic interactions in charged colloidal systems. Specifically, we find a family of optimal size ratios that makes the two-phase system effectively hyperuniform. We show that hyperuniformity is a general consequence of low isothermal compressibilities, which makes our protocol suitable to systems with other long-ranged soft interactions, dimensionalities and/or polydispersity. Our methodology paves the way to synthesize large photonic hyperuniform materials that function in the visible to infrared range and hence may accelerate the discovery of novel photonic materials. Copyright © 2020, The Authors. All rights reserved.

关键词： Suspensions (fluids)

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On Phase Reduction and Time Period of Noisy Oscillators

On Phase Reduction and Time Period of Noisy Oscillators

引用

IEEE Annual Conference on Decision and Control

作者： Zahra Aminzare Philip Holmes Vaibhav Srivastava Department of Mathematics University of Iowa IA USA Program in Applied and Computational Mathematics Princeton Neuroscience Institute Princeton University Princeton NJ USA Electrical and Computer Engineering Michigan State University East Lansing MI USA

ISBN: (数字)9781728113982

ISBN: (纸本)9781728113999

We study phase reduction for noisy oscillator models by deriving a reduced order stochastic differential equation describing the phase evolution using the first and second order Phase Response Curves (PRCs). We discuss direct methods and ordinary differential equations for computing these PRCs, and derive approximate first and second moments of the time period of the oscillator models in terms of functions of the PRCs. We illustrate the theoretical results on a noisy Hopf bifurcation normal form, on a noisy Van der Pol oscillator, and on a noisy bursting neuron model.

关键词： Oscillators Limit-cycles Noise measurement Biological system modeling Perturbation methods Bifurcation Stochastic processes

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Causal models on probability spaces

arXiv

引用

arXiv 2019年

作者： Cabreros, Irineo Storey, John D. Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Lewis-Sigler Institute for Integrative Genomics Princeton University PrincetonNJ08544 United States

We describe the interface between measure theoretic probability and causal inference by constructing causal models on probability spaces within the potential outcomes framework. We find that measure theory provides a precise and instructive language for causality and that consideration of the probability spaces underlying causal models offers clarity into central concepts of causal inference. By closely studying simple, instructive examples, we demonstrate insights into causal effects, causal interactions, matching procedures, and randomization. Additionally, we introduce a simple technique for visualizing causal models on probability spaces that is useful both for generating examples and developing causal intuition. Finally, we provide an axiomatic framework for causality and make initial steps towards a formal theory of general causal models. Copyright © 2019, The Authors. All rights reserved.

关键词： Probability

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Gamma-ray Bursts as Distance Indicators by a Statistical Learning Approach

arXiv

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arXiv 2024年

作者： Dainotti, Maria Giovanna Narendra, Aditya Pollo, Agnieszka Petrosian, Vahé Bogdan, Malgorzata Iwasaki, Kazunari Prochaska, Jason Xavier Rinaldi, Enrico Zhou, David National Astronomical Observatory of Japan Mitaka Tokyo181-8588 Japan The Graduate University for Advanced Studies SOKENDAI Kanagawa240-0193 Japan Space Science Institute BoulderCO80301 United States Doctoral School of Exact and Natural Sciences Jagiellonian University Krakow Poland Astronomical Observatory of Jagiellonian University Krakow Poland Warsaw Poland Department of Physics Stanford University 382 Via Pueblo Mall StanfordCA94305-4060 United States Kavli Institute for Particle Astrophysics and Cosmology Stanford University United States Department of Applied Physics Stanford University United States Department of Mathematics University of Wroclaw 50-384 Poland Department of Statistics Lund University LundSE-221 00 Sweden Center for Computational Astrophysics National Astronomical Observatory of Japan 2 Chome-21-1 Osawa Mitaka Tokyo181-8588 Japan University of California Santa Cruz 1156 High Street Santa CruzCA95064 United States Program RIKEN Saitama Wakoshi 351-0198 Japan Arizona State University 1151 S Forest Ave TempeAZ85281 United States

Gamma-ray bursts (GRBs) can be probes of the early universe, but currently, only 26% of GRBs observed by the Neil Gehrels Swift Observatory GRBs have known redshifts (z) due to observational limitations. To address this, we estimated the GRB redshift (distance) via a supervised statistical learning model that uses optical afterglow observed by Swift and ground-based telescopes. The inferred redshifts are strongly correlated (a Pearson coefficient of 0.93) with the observed redshifts, thus proving the reliability of this method. The inferred and observed redshifts allow us to estimate the number of GRBs occurring at a given redshift (GRB rate) to be 8.47-9yr−1Gpc−1 for 1.9 © 2024, CC BY.

关键词： Stars

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Position: Bayesian Deep Learning is Needed in the Age of Large-Scale AI

arXiv

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arXiv 2024年

作者： Papamarkou, Theodore Skoularidou, Maria Palla, Konstantina Aitchison, Laurence Arbel, Julyan Dunson, David Filippone, Maurizio Fortuin, Vincent Hennig, Philipp Hernández-Lobato, José Miguel Hubin, Aliaksandr Immer, Alexander Karaletsos, Theofanis Khan, Mohammad Emtiyaz Kristiadi, Agustinus Li, Yingzhen Mandt, Stephan Nemeth, Christopher Osborne, Michael A. Rudner, Tim G.J. Rügamer, David Teh, Yee Whye Welling, Max Wilson, Andrew Gordon Zhang, Ruqi Department of Mathematics The University of Manchester Manchester United Kingdom Eric and Wendy Schmidt Center Broad Institute of MIT and Harvard Cambridge United States Spotify London United Kingdom Computational Neuroscience Unit University of Bristol Bristol United Kingdom Centre Inria de l'Université Grenoble Alpes Grenoble France Department of Statistical Science Duke University United States Statistics Program KAUST Saudi Arabia Helmholtz AI Munich Germany Department of Computer Science Technical University of Munich Munich Germany Munich Center for Machine Learning Munich Germany Tübingen AI Center University of Tübingen Tübingen Germany Department of Engineering University of Cambridge Cambridge United Kingdom Department of Mathematics University of Oslo Oslo Norway Bioinformatics and Applied Statistics Norwegian University of Life Sciences Ås Norway Department of Computer Science ETH Zurich Switzerland Chan Zuckerberg Initiative CA United States Center for Advanced Intelligence Project RIKEN Tokyo Japan Vector Institute Toronto Canada Department of Computing Imperial College London London United Kingdom Department of Computer Science UC Irvine Irvine United States Department of Mathematics and Statistics Lancaster University Lancaster United Kingdom Department of Engineering Science University of Oxford Oxford United Kingdom Center for Data Science New York University New York United States Department of Statistics LMU Munich Munich Germany DeepMind London United Kingdom Department of Statistics University of Oxford Oxford United Kingdom Informatics Institute University of Amsterdam Amsterdam Netherlands Courant Institute of Mathematical Sciences Center for Data Science Computer Science Department New York University New York United States Department of Computer Science Purdue University West Lafayette United States

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential. © 2024, CC BY-NC-ND.

关键词： Large datasets

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Modeling subgrid-scale force and divergence of heat flux of compressible isotropic turbulence by artificial neural network

引用

Physical Review Fluids 2019年第10期4卷 104605-104605页

作者： Chenyue Xie Ke Li Chao Ma Jianchun Wang Shenzhen Key Laboratory of Complex Aerospace Flows Center for Complex Flows and Soft Matter Research Department of Mechanics and Aerospace Engineering Southern University of Science and Technology Shenzhen 518055 People's Republic of China Institute of Computational Mathematics and Scientific Engineering Computing Chinese Academy of Sciences Beijing 100190 People's Republic of China The Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

In this paper, the subgrid-scale (SGS) force and the divergence of SGS heat flux of compressible isotropic turbulence are modeled directly by an artificial neural network (ANN), which serves as a data-driven SGS modeling tool for large-eddy simulations (LESs). The unclosed SGS force and divergence of SGS heat flux are modeled based on the local stencil geometry with Galilean invariance. The input features include the first-order and second-order derivatives of filtered velocity and temperature, filtered density, and its first-order derivative. It is shown that the proposed ANN-F7 model shows an advantage over the gradient model in the a priori test. Specifically, the ANN-F7 model gives larger correlation coefficients and smaller relative errors than the gradient model. In an a posteriori analysis, the ANN-F7 model performs better than the dynamic Smagorinsky model (DSM) and dynamic mixed model (DMM) in the prediction of the statistical properties of flow fields at the Taylor microscale Reynolds number Reλ ranging from 180 to 250. The DSM and DMM models lead to the typical tilted spectral distribution of velocity, where low wave numbers are too energy rich, while those near the cutoff are damped too strongly. In contrast, it is shown that the velocity spectrum predicted by the ANN-F7 model almost overlaps with the filtered direct numerical simulation data. Besides, the ANN-F7 model reconstructs the probability density functions of SGS force and divergence of SGS heat flux much better than the DSM and DMM models. An artificial neural network with reasonable physical input features can deepen our understanding of turbulence modeling.

关键词： Compressible flows Turbulence Artificial neural networks

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DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

arXiv

引用

arXiv 2019年

作者： Wang, Haidi Chen, Weijie Zeng, Jinzhe Zhang, Linfeng Wang, Han Zhang, Yuzhi Weinan, E. Yuanpei College of Peking University Beijing100871 China School of Electronic Science and Applied Physics Hefei University of Technology Hefei230601 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China School of Chemistry and Molecular Engineering East China Normal University Shanghai200062 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Huayuan Road 6 Beijing100088 China Beijing Institute of Big Data Research Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Beijing Institute of Big Data Research Beijing100871 China

In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simulations for large scale systems with quantum accuracy. However, making these models truly reliable and practically useful is still a very non-trivial task. A key component in this task is the generation of datasets used in model training. In this paper, we introduce the Deep Potential GENerator (DP-GEN), an open-source software platform that implements the recently proposed"on-the-fly" learning procedure [Phys. Rev. Materials 3, 023804] and is capable of generating uniformly accurate deep learning based PES models in a way that minimizes human intervention and the computational cost for data generation and model training. DP-GEN automatically and iteratively performs three steps: exploration, labeling, and training. It supports various popular packages for these three steps: LAMMPS for exploration, Quantum Espresso, VASP, CP2K, etc. for labeling, and DeePMD-kit for training. It also allows automatic job submission and result collection on different types of machines, such as high performance clusters and cloud machines, and is adaptive to different job management tools, including Slurm, PBS, and LSF. As a concrete example, we illustrate the details of the process for generating a general-purpose PES model for Cu using DP-GEN. Copyright © 2019, The Authors. All rights reserved.

关键词： Potential energy

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Visualizing structure and transitions in high-dimensional biological data (vol 54, pg 781, 2019)

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NATURE BIOTECHNOLOGY 2020年第1期38卷 108-108页

作者： Moon, Kevin R. van Dijk, David Wang, Zheng Gigante, Scott Burkhardt, Daniel B. Chen, William S. Yim, Kristina van den Elzen, Antonia Hirn, Matthew J. Coifman, Ronald R. Ivanova, Natalia B. Wolf, Guy Krishnaswamy, Smita Department of Mathematics and Statistics Utah State University Logan USA Cardiovascular Research Center section Cardiology Department of Internal Medicine Yale University New Haven USA Department of Computer Science Yale University New Haven USA School of Basic Medicine Qingdao University Qingdao China Yale Stem Cell Center Department of Genetics Yale University New Haven USA Computational Biology and Bioinformatics Program Yale University New Haven USA Department of Genetics Yale University New Haven USA Department of Computational Mathematics Science and Engineering Michigan State University East Lansing USA Department of Mathematics Michigan State University East Lansing USA Applied Mathematics Program Yale University New Haven USA Department of Genetics Center for Molecular Medicine University of Georgia Athens USA Department of Mathematics and Statistics Université de Montréal Montréal Canada Mila—Quebec Artificial Intelligence Institute Montréal Canada

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

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