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Artificial intelligence for geoscience:Progress,challenges,and perspectives

The Innovation 2024年第5期5卷 136-160,135页

作者： Tianjie Zhao Sheng Wang Chaojun Ouyang Min Chen Chenying Liu Jin Zhang Long Yu Fei Wang Yong Xie Jun Li Fang Wang Sabine Grunwald Bryan MWong Fan Zhang Zhen Qian Yongjun Xu Chengqing Yu Wei Han Tao Sun Zezhi Shao Tangwen Qian Zhao Chen Jiangyuan Zeng Huai Zhang Husi Letu Bing Zhang Li Wang Lei Luo Chong Shi Hongjun Su Hongsheng Zhang Shuai Yin Ni Huang Wei Zhao Nan Li Chaolei Zheng Yang Zhou Changping Huang Defeng Feng Qingsong Xu Yan Wu Danfeng Hong Zhenyu Wang Yinyi Lin Tangtang Zhang Prashant Kumar Antonio Plaza Jocelyn Chanussot Jiabao Zhang Jiancheng Shi Lizhe Wang Aerospace Information Research Institute Chinese Academy of SciencesBeijing 100094China School of Computer Science China University of GeosciencesWuhan 430078China State Key Laboratory of Mountain Hazards and Engineering Resilience Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu 610299China Key Laboratory of Virtual Geographic Environment(Ministry of Education of PRC) Nanjing Normal UniversityNanjing 210023China Data Science in Earth Observation Technical University of Munich80333 MunichGermany The National Key Laboratory of Water Disaster Prevention Yangtze Institute for Conservation and DevelopmentHohai UniversityNanjing 210098China Institute of Computing Technology Chinese Academy of SciencesBeijing 100190China School of Geographical Sciences Nanjing University of Information Science and TechnologyNanjing 210044China State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China Soil Water and Ecosystem Sciences DepartmentUniversity of FloridaPO Box 110290GainesvilleFLUSA Materials Science Engineering Program Cooperating Faculty Member in the Department of Chemistry and Department of Physics Astronomy University of CaliforniaCaliforniaRiversideCA 92521USA Institute of Remote Sensing and Geographical Information System School of Earth and Space SciencesPeking UniversityBeijing 100871China Key Laboratory of Computational Geodynamics University of Chinese Academy of SciencesBeijing 100049China International Research Center of Big Data for Sustainable Development Goals Beijing 100094China College of Geography and Remote Sensing Hohai UniversityNanjing 211100China Department of Geography The University of Hong KongHong Kong 999077SARChina Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control Nanjing 210044China School of Environmental Science and Engineering Nanjing University of Information Science&TechnologyNanjing 210044China Collaborative Inno

This paper explores the evolution of geoscientific inquiry,tracing the progression from traditional physics-based models to modern data-driven approaches facilitated by significant advancements in artificial intelligence(AI)and data collection *** models,which are grounded in physical and numerical frameworks,provide robust explanations by explicitly reconstructing underlying physical ***,their limitations in comprehensively capturing Earth’s complexities and uncertainties pose challenges in optimization and real-world *** contrast,contemporary data-driven models,particularly those utilizing machine learning(ML)and deep learning(DL),leverage extensive geoscience data to glean insights without requiring exhaustive theoretical *** techniques have shown promise in addressing Earth science-related ***,challenges such as data scarcity,computational demands,data privacy concerns,and the“black-box”nature of AI models hinder their seamless integration into *** integration of physics-based and data-driven methodologies into hybrid models presents an alternative *** models,which incorporate domain knowledge to guide AI methodologies,demonstrate enhanced efficiency and performance with reduced training data *** review provides a comprehensive overview of geoscientific research paradigms,emphasizing untapped opportunities at the intersection of advanced AI techniques and *** examines major methodologies,showcases advances in large-scale models,and discusses the challenges and prospects that will shape the future landscape of AI in *** paper outlines a dynamic field ripe with possibilities,poised to unlock new understandings of Earth’s complexities and further advance geoscience exploration.

关键词： Earth utilizing landscape

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Cell2Sentence: teaching large language models the language of biology 24

Cell2Sentence: teaching large language models the language o...

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Proceedings of the 41st International Conference on Machine Learning

作者： Daniel Levine Syed Asad Rizvi Sacha Lévy Nazreen Pallikkavaliyaveetil David Zhang Xingyu Chen Sina Ghadermarzi Ruiming Wu Zihe Zheng Ivan Vrkic Anna Zhong Daphne Raskin Insu Han Antonio Henrique De Oliveira Fonseca Josue Ortega Caro Amin Karbasi Rahul M. Dhodapkar David Van Dijk Department of Computer Science Yale University New Haven CT School of Engineering Applied Science University of Pennsylvania Philadelphia PA School of Computer and Communication Sciences Swiss Federal Institute of Technology Lausanne Lausanne Switzerland Department of Computer Science Yale University New Haven CT and Department of Neuroscience Yale School of Medicine New Haven CT Department of Computer Science Yale University New Haven CT and Department of Neuroscience Yale School of Medicine New Haven CT and Wu Tsai Institute Yale University New Haven CT Google and Yale Institute for Foundations of Data Science New Haven CT and Department of Computer Science Yale University New Haven CT and Yale School of Engineering and Applied Science New Haven CT Roski Eye Institute University of Southern California Los Angeles CA and Department of Internal Medicine (Cardiology) Yale School of Medicine New Haven CT Department of Computer Science Yale University New Haven CT and Yale Institute for Foundations of Data Science New Haven CT and Wu Tsai Institute Yale University New Haven CT and Cardiovascular Research Center Yale School of Medicine New Haven CT and Interdepartmental Program in Computational Biology & Bioinformatics Yale University New Haven CT and Department of Internal Medicine (Cardiology) Yale School of Medicine New Haven CT

We introduce Cell2Sentence (C2S), a novel method to directly adapt large language models to a biological context, specifically single-cell transcriptomics. By transforming gene expression data into "cell sentences," C2S bridges the gap between natural language processing and biology. We demonstrate cell sentences enable the fine-tuning of language models for diverse tasks in biology, including cell generation, complex cell-type annotation, and direct data-driven text generation. Our experiments reveal that GPT-2, when fine-tuned with C2S, can generate biologically valid cells based on cell type inputs, and accurately predict cell types from cell sentences. This illustrates that language models, through C2S fine-tuning, can acquire a significant understanding of single-cell biology while maintaining robust text generation capabilities. C2S offers a flexible, accessible framework to integrate natural language processing with transcriptomics, utilizing existing models and libraries for a wide range of biological applications.

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What affects the performance of POD for the simulation of heat transfer through building component?

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Journal of Physics: Conference Series 2021年第1期2069卷

作者： Tianfeng Hou Staf Roels Hans Janssen KU Leuven Department of Civil Engineering Building Physics Section 3001 Leuven Belgium Data Assimilation Research Team RIKEN Center for Computational Science Kobe Japan RIKEN Prediction Science Laboratory Kobe Japan RIKEN Interdisciplinary Theoretical and Mathematical Sciences Program Kobe Japan

The capability of the proper orthogonal decomposition for the simulation of heat transfer in building components is investigated via three applications: linear heat transfer (not coupled to mass transfer), mildly non-linear heat transfer (coupled to air and moisture transfer (hygroscopic)) and highly non-linear heat transfer (coupled to moisture transfer (capillary)). It is shown that increasing non-linearity leads to an increasing number of required construction modes. To further investigate the reason for this degrading performance of POD, the singular values' decay progress from the different training snapshots is addressed in this paper. The results confirm that a fast decay of the singular values implies a high interrelation of the snapshots and a better performance of the POD method.

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Accurately predicting anticancer peptide using an ensemble of heterogeneously trained classifiers

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Informatics in Medicine Unlocked 2023年 42卷

作者： Azim, Sayed Mehedi Sabab, Noor Hossain Nuri Noshadi, Iman Alinejad-Rokny, Hamid Sharma, Alok Shatabda, Swakkhar Dehzangi, Iman Center for Computational and Integrative Biology Rutgers University Camden 08102 NJ United States Department of Computer Science and Engineering United International University Plot 2 United City Madani Avenue BaddaDhaka 1212 Bangladesh Department of Bioengineering University of California Riverside 92507 CA United States BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering The University of New South Wales (UNSW Sydney) Sydney NSW 2052 Australia UNSW Data Science Hub UNSW Sydney Sydney NSW 2052 Australia Health Data Analytics Program AI-enabled Processes Research Centre Macquarie University Sydney 2109 Australia Institute for Integrated and Intelligent Systems Griffith University Brisbane Australia Laboratory for Medical Science Mathematics RIKEN Center for Integrative Medical Sciences Yokohama 230-0045 Japan Department of Computer Science Rutgers University Camden 08102 NJ United States

The use of therapeutic peptides for the treatment of cancer has received tremendous attention in recent years. Anticancer peptides (ACPs) are considered new anticancer drugs which have several advantages over chemistry-based drugs including high specificity, strong tumor penetration capacity, and low toxicity level for normal cells. Due to the rise of experimentally verified bioactive peptides, several in silico approaches became imperative for the investigation of the characteristics of ACPs. In this paper, we proposed a new machine learning tool named iACP-RF that uses a combination of several sequence-based features and an ensemble of three heterogeneously trained Random Forest classifiers to accurately predict anticancer peptides. Experimental results show that our proposed model achieves an accuracy of 75.9% which outperforms other state-of-the-art methods by a significant margin. We also achieve 0.52, 75.6%, and 76.2% in terms of Matthews Correlation Coefficient (MCC), Sensitivity, and Specificity, respectively. iACP-RF as a standalone tool and its source code are publicly available at: https://***/MLBC-lab/iACP-RF. © 2023 The Authors

关键词： Anticancer peptides Ensemble learning Feature extraction Heterogeneous classifiers Machine learning Random Forest

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From mechanism to medicine: The progress and potential of epigenetics in osteoarthritis

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Osteoarthritis and Cartilage Open 2025年第3期7卷 100621-100621页

作者： Jack B. Roberts Jason S. Rockel Rick Mulders Terence D. Capellini C. Thomas Appleton Douglas H. Phanstiel Rik Lories Jeroen Geurts Shabana Amanda Ali Nidhi Bhutani Laura Stone Yenisel Cruz-Almeida Igor Jurisica Cindy G. Boer Yolande F.M. Ramos Sarah J. Rice Mohit Kapoor Biosciences Institute Newcastle University Newcastle upon Tyne United Kingdom Division of Orthopedics Osteoarthritis Research Program Schroeder Arthritis Institute University Health Network and Krembil Research Institute University Health Network Toronto ON Canada Department of Biomedical Data Sciences Section Molecular Epidemiology Leiden University Medical Center Leiden The Netherlands Department of Human Evolutionary Biology Harvard University Cambridge MA USA Bone and Joint Institute and Department of Medicine Schulich School of Medicine and Dentistry Western University London Canada Curriculum in Bioinformatics and Computational Biology University of North Carolina Chapel Hill NC USA Laboratory of Tissue Homeostasis and Disease Skeletal Biology and Engineering Research Centre Department of Development and Regeneration KU Leuven Leuven Belgium Division of Rheumatology University Hospitals Leuven Leuven Belgium Rheumatology Department of Musculoskeletal Medicine Lausanne University Hospital and University of Lausanne (CHUV-UNIL) Lausanne Switzerland Bone and Joint Center Henry Ford Health + Michigan State University Health Sciences Detroit MI USA Department of Orthopaedic Surgery Stanford School of Medicine Stanford CA USA Department of Anesthesiology School of Medicine University of Minnesota Minneapolis MN USA Pain Research and Intervention Center of Excellence (PRICE) at the University of Florida Gainesville FL USA Department of Medical Biophysics and Computer Science University of Toronto Toronto ON Canada Department of Internal Medicine Genomics Medicine Center Erasmus MC University Medical Center Rotterdam the Netherlands Department of Laboratory Medicine and Pathobiology University of Toronto Toronto ON Canada Department of Surgery University of Toronto Toronto ON Canada

Objective Osteoarthritis (OA) is a chronic, degenerative disease of the articular joints. The disease presents an enormous clinical and economic burden globally, due in part to the lack of disease modifying therapies. For over a decade, OA researchers have been working to determine epigenetic mechanisms underlying the disease to better understand pathology, identify biomarkers of progression, and pinpoint novel targets for therapeutic intervention. Design This article presents a summary of the 3rd International Workshop on the Epigenetics of Osteoarthritis held in Toronto, Ontario, Canada, in September 2024. The purpose of this meeting was to gather the international community to discuss the status of OA epigenetic research and share expertise on innovative techniques for future. Results Since the two previous meetings, there has been increasing adoption of advanced single-cell and spatial sequencing technologies and bioinfomatic analyses. Furthermore, investigations of multiple joint tissues has highlighted the shifting paradigm from OA as a cartilage centric disease to the consideration of all joint tissues. Conclusions The workshop provided a unique opportunity for early-career researchers to expand their network, and for all participants to discuss new or improved approaches to advance the field, including international consortia and data sharing. The highlights and outcomes from this OA epigenetics workshop are described in this report.

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The sample complexity of multi-reference alignment

arXiv

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arXiv 2017年

作者： Perry, Amelia Weed, Jonathan Bandeira, Afonso S. Rigollet, Philippe Singer, Amit Department of Mathematics Massachusetts Institute of Technology 77 Massachusetts Avenue CambridgeMA02139-4307 United States Department of Mathematics Courant Institute of Mathematical Sciences Center for Data Science New York University New YorkNY10012 United States Department of Mathematics Massachusetts Institute of Technology 77 Massachusetts Avenue CambridgeMA02139-4307 United States Department of Mathematics Massachusetts Institute of Technology 77 Massachusetts Avenue CambridgeMA02139-4307 United States Department of Mathematics Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

The growing role of data-driven approaches to scientific discovery has unveiled a large class of models that involve latent transformations with a rigid algebraic constraint. Three-dimensional molecule reconstruction in Cryo-Electron Microscopy (cryo-EM) is a central problem in this class. Despite decades of algorithmic and software development, there is still little theoretical understanding of the sample complexity of this problem, that is, number of images required for 3-D reconstruction. Here we consider multi-reference alignment (MRA), a simple model that captures fundamental aspects of the statistical and algorithmic challenges arising in cryo-EM and related problems. In MRA, an unknown signal is subject to two types of corruption: a latent cyclic shift and the more traditional additive white noise. The goal is to recover the signal at a certain precision from independent samples. While at high signal-to-noise ratio (SNR), the number of observations needed to recover a generic signal is proportional to 1/SNR, we prove that it rises to a surprising 1/SNR3 in the low SNR regime. This precise phenomenon was observed empirically more than twenty years ago for cryo-EM but has remained unexplained to date. Furthermore, our techniques can easily be extended to the heterogeneous MRA model where the samples come from a mixture of signals, as is often the case in applications such as cryo-EM, where molecules may have different conformations. This provides a first step towards a statistical theory for heterogeneous cryo-EM.62B10, 92C55 Copyright © 2017, The Authors. All rights reserved.

关键词： Signal to noise ratio

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Biases in Inverse Ising Estimates of Near-Critical Behaviour

arXiv

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arXiv 2023年

作者： Kloucek, Maximilian B. Machon, Thomas Kajimura, Shogo Royall, C. Patrick Masuda, Naoki Turci, Francesco H.H. Wills Laboratory School of Physics University of Bristol Bristol United Kingdom Bristol Centre for Functional Nanomaterials University of Bristol Bristol United Kingdom Faculty of Information and Human Sciences Kyoto Institute of Technology Kyoto606-8585 Japan Gulliver UMR CNRS 7083 ESPCI Paris Université PSL Paris75005 France Department of Mathematics State University of New York BuffaloNY14260-2900 United States Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo BuffaloNY14260-5030 United States

Inverse Ising inference allows pairwise interactions of complex binary systems to be reconstructed from empirical correlations. Typical estimators used for this inference, such as Pseudo-likelihood maximization (PLM), are biased. Using the Sherrington-Kirkpatrick (SK) model as a benchmark, we show that these biases are large in critical regimes close to phase boundaries, and may alter the qualitative interpretation of the inferred model. In particular, we show that the small-sample bias causes models inferred through PLM to appear closer-to-criticality than one would expect from the data. data-driven methods to correct this bias are explored and applied to a functional magnetic resonance imaging (fMRI) dataset from neuroscience. Our results indicate that additional care should be taken when attributing criticality to real-world datasets. Copyright © 2023, The Authors. All rights reserved.

关键词： Criticality (nuclear fission)

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Finding shortest and nearly shortest path nodes in large substantially incomplete networks

arXiv

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arXiv 2022年

作者： Kitsak, Maksim Ganin, Alexander Elmokashfi, Ahmed Cui, Hongzhu Eisenberg, Daniel A. Alderson, David L. Korkin, Dmitry Linkov, Igor Faculty of Electrical Engineering Mathematics and Computer Science Delft University of Technology Delft Netherlands Network Science Institute Northeastern University BostonMA02115 United States Department of Systems and Information Engineering University of Virginia CharlottesvilleVA22904 United States U.S. Army Engineer Research and Development Center Contractor Concord MA01742 United States Simula Metropolitan Center for Digital Engineering Oslo Norway Bioinformatics and Computational Biology Program Worcester Polytechnic Institute WorcesterMA01609 United States Institute for Genomic Medicine Columbia University Medical Center New YorkNY United States Operations Research Department Naval Postgraduate School MontereyCA93943 United States Data Science Program Worcester Polytechnic Institute WorcesterMA01609 United States Computer Science Department Worcester Polytechnic Institute WorcesterMA01609 United States U.S. Army Engineer Research and Development Center Environmental Laboratory Concord MA01742 United States

Dynamic processes on networks, be it information transfer in the Internet, contagious spreading in a social network, or neural signaling, take place along shortest or nearly shortest paths. Unfortunately, our maps of most large networks are substantially incomplete due to either the highly dynamic nature of networks, or high cost of network measurements, or both, rendering traditional path finding methods inefficient. We find that shortest paths in large real networks, such as the network of protein-protein interactions (PPI) and the Internet at the autonomous system (AS) level, are not random but are organized according to latent-geometric rules. If nodes of these networks are mapped to points in latent hyperbolic spaces, shortest paths in them align along geodesic curves connecting endpoint nodes. We find that this alignment is sufficiently strong to allow for the identification of shortest path nodes even in the case of substantially incomplete networks. We demonstrate the utility of latent-geometric path finding in problems of cellular pathway reconstruction and communication security. Copyright © 2022, The Authors. All rights reserved.

关键词： Proteins

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Modeling state-transition dynamics in resting-state brain signals by the hidden Markov and Gaussian mixture models

arXiv

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arXiv 2020年

作者： Ezaki, Takahiro Himeno, Yu Watanabe, Takamitsu Masuda, Naoki Research Center for Advanced Science and Technology The University of Tokyo 4-6-1 Komaba Meguro-ku Tokyo153-8904 Japan PRESTO JST 4-1-8 Honcho Kawaguchi Saitama332-0012 Japan Department of Aeronautics and Astronautics The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Japan Laboratory for Cognition Circuit Dynamics RIKEN Centre for Brain Science Saitama351-0198 Japan International Research Center for Neurointelligence The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-0033 Japan Department of Mathematics State University of New York at Buffalo BuffaloNY14260-2900 United States Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo BuffaloNY14260-5030 United States

Recent studies have proposed that one can summarize brain activity into dynamics among a relatively small number of hidden states and that such an approach is a promising tool for revealing brain function. Hidden Markov models (HMMs) are a prevalent approach to inferring such neural dynamics among discrete brain states. However, the impact of assuming Markovian structure in neural time series data has not been sufficiently examined. Here, to address this situation and examine the performance of the HMM, we compare the model with the Gaussian mixture model (GMM), which is with no temporal regularization and thus a statistically simpler model than the HMM, by applying both models to synthetic time series generated from empirical resting-state functional magnetic resonance imaging (fMRI) data. We compared the GMM and HMM for various sampling frequencies, lengths of recording per participant, numbers of participants, and numbers of independent component signals. We find that the HMM attains a better accuracy of estimating the hidden state than the GMM in a majority of cases. However, we also find that the accuracy of the GMM is comparable to that of the HMM under the condition that the sampling frequency is reasonably low (e.g., TR = 2.88 or 3.60 s) or the data is relatively short. These results suggest that the GMM can be a viable alternative to the HMM for investigating hidden-state dynamics under this condition. Copyright © 2020, The Authors. All rights reserved.

关键词： Hidden Markov models

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What we should learn from pandemic publishing

arXiv

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arXiv 2024年

作者： Sikdar, Satyaki Venturini, Sara Charpignon, Marie-Laure Kumar, Sagar Rinaldi, Francesco Tudisco, Francesco Fortunato, Santo Majumder, Maimuna S. Luddy School of Informatics Computing and Engineering Indiana University BloomingtonIN United States Department of Computer Science Loyola University Chicago ChicagoIL United States Senseable City Laboratory Massachusetts Institute of Technology CambridgeMA United States Department of Mathematics "Tullio Levi-Civita" University of Padova Padova Italy Institute for Data Systems and Society Massachusetts Institute of Technology CambridgeMA United States Network Science Institute Northeastern University BostonMA United States School of Mathematics The University of Edinburgh Edinburgh United Kingdom School of Mathematics Gran Sasso Science Institute L’Aquila Italy Department of Pediatrics Harvard Medical School BostonMA United States Computational Health Informatics Program Boston Children’s Hospital BostonMA United States

Since the emergence of COVID-19, discussions of ongoing pandemic-related research have accounted for an unprecedented share of media coverage and debate in the public sphere1. The urgency of the pandemic forced researchers to operate on an accelerated timeline, as both policymakers and the public relied on the most current evidence to guide their decisions and behaviors. With high demand for rapid pandemic-related insights and lower barriers to entry via preprint servers, the volume of COVID-19 articles skyrocketed2. The pressing need for research triggered the participation of many researchers with expertise in the science of infectious disease outbreaks (‘outbreak scientists’), who were joined by researchers from other disciplines (‘bellwethers’) and more junior researchers still in training (‘newcomers’) with the common goal of advancing the frontiers of pandemic science and informing policy decisions3. Please see Box 1 for details of this taxonomy. © 2024, CC BY-NC-ND.

关键词： COVID-19

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