Adıyaman Province
Advanced Deep Learning Methods for Protein Structure Prediction and Design
Wang, Tianyang, Zhang, Yichao, Deng, Ningyuan, Song, Xinyuan, Bi, Ziqian, Yao, Zheyu, Chen, Keyu, Li, Ming, Niu, Qian, Liu, Junyu, Peng, Benji, Zhang, Sen, Liu, Ming, Zhang, Li, Pan, Xuanhe, Wang, Jinlang, Feng, Pohsun, Wen, Yizhu, Yan, Lawrence KQ, Tseng, Hongming, Zhong, Yan, Wang, Yunze, Qin, Ziyuan, Jing, Bowen, Yang, Junjie, Zhou, Jun, Liang, Chia Xin, Song, Junhao
After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining recent innovations in prediction architectures, with detailed discussions on improvements such as diffusion based frameworks and novel pairwise attention modules. The text analyses key components including structure generation, evaluation metrics, multiple sequence alignment processing, and network architecture, thereby illustrating the current state of the art in computational protein modelling. Subsequent chapters focus on practical applications, presenting case studies that range from individual protein predictions to complex biomolecular interactions. Strategies for enhancing prediction accuracy and integrating deep learning techniques with experimental validation are thoroughly explored. The later sections review the industry landscape of protein design, highlighting the transformative role of artificial intelligence in biotechnology and discussing emerging market trends and future challenges. Supplementary appendices provide essential resources such as databases and open source tools, making this volume a valuable reference for researchers and students.
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Scalable Temporal Anomaly Causality Discovery in Large Systems: Achieving Computational Efficiency with Binary Anomaly Flag Data
Asres, Mulugeta Weldezgina, Omlin, Christian Walter, Collaboration, The CMS-HCAL
Extracting anomaly causality facilitates diagnostics once monitoring systems detect system faults. Identifying anomaly causes in large systems involves investigating a more extensive set of monitoring variables across multiple subsystems. However, learning causal graphs comes with a significant computational burden that restrains the applicability of most existing methods in real-time and large-scale deployments. In addition, modern monitoring applications for large systems often generate large amounts of binary alarm flags, and the distinct characteristics of binary anomaly data -- the meaning of state transition and data sparsity -- challenge existing causality learning mechanisms. This study proposes an anomaly causal discovery approach (AnomalyCD), addressing the accuracy and computational challenges of generating causal graphs from binary flag data sets. The AnomalyCD framework presents several strategies, such as anomaly flag characteristics incorporating causality testing, sparse data and link compression, and edge pruning adjustment approaches. We validate the performance of this framework on two datasets: monitoring sensor data of the readout-box system of the Compact Muon Solenoid experiment at CERN, and a public data set for information technology monitoring. The results demonstrate the considerable reduction of the computation overhead and moderate enhancement of the accuracy of temporal causal discovery on binary anomaly data sets.
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The Transformation Risk-Benefit Model of Artificial Intelligence: Balancing Risks and Benefits Through Practical Solutions and Use Cases
Fulton, Richard, Fulton, Diane, Hayes, Nate, Kaplan, Susan
This paper summarizes the most cogent advantages and risks associated with Artificial Intelligence from an in-depth review of the literature. Then the authors synthesize the salient risk-related models currently being used in AI, technology and business-related scenarios. Next, in view of an updated context of AI along with theories and models reviewed and expanded constructs, the writers propose a new framework called "The Transformation Risk-Benefit Model of Artificial Intelligence" to address the increasing fears and levels of AI risk. Using the model characteristics, the article emphasizes practical and innovative solutions where benefits outweigh risks and three use cases in healthcare, climate change/environment and cyber security to illustrate unique interplay of principles, dimensions and processes of this powerful AI transformational model.
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Cardiac and extracardiac discharge diagnosis prediction from emergency department ECGs using deep learning
Strodthoff, Nils, Alcaraz, Juan Miguel Lopez, Haverkamp, Wilhelm
Current deep learning algorithms designed for automatic ECG analysis have exhibited notable accuracy. However, akin to traditional electrocardiography, they tend to be narrowly focused and typically address a singular diagnostic condition. In this study, we specifically demonstrate the capability of a single model to predict a diverse range of both cardiac and non-cardiac discharge diagnoses based on a sole ECG collected in the emergency department. Among the 1,076 hierarchically structured ICD codes considered, our model achieves an AUROC exceeding 0.8 in 439 of them. This underscores the models proficiency in handling a wide array of diagnostic scenarios. We emphasize the potential of utilizing this model as a screening tool, potentially integrated into a holistic clinical decision support system for efficiently triaging patients in the emergency department. This research underscores the remarkable capabilities of comprehensive ECG analysis algorithms and the extensive range of possibilities facilitated by the open MIMIC-IV-ECG dataset. Finally, our data may play a pivotal role in revolutionizing the way ECG analysis is performed, marking a significant advancement in the field.
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Spatio-Temporal Anomaly Detection with Graph Networks for Data Quality Monitoring of the Hadron Calorimeter
Asres, Mulugeta Weldezgina, Omlin, Christian Walter, Wang, Long, Yu, David, Parygin, Pavel, Dittmann, Jay, Karapostoli, Georgia, Seidel, Markus, Venditti, Rosamaria, Lambrecht, Luka, Usai, Emanuele, Ahmad, Muhammad, Menendez, Javier Fernandez, Maeshima, Kaori, Collaboration, the CMS-HCAL
The compact muon solenoid (CMS) experiment is a general-purpose detector for high-energy collision at the large hadron collider (LHC) at CERN. It employs an online data quality monitoring (DQM) system to promptly spot and diagnose particle data acquisition problems to avoid data quality loss. In this study, we present semi-supervised spatio-temporal anomaly detection (AD) monitoring for the physics particle reading channels of the hadronic calorimeter (HCAL) of the CMS using three-dimensional digi-occupancy map data of the DQM. We propose the GraphSTAD system, which employs convolutional and graph neural networks to learn local spatial characteristics induced by particles traversing the detector, and global behavior owing to shared backend circuit connections and housing boxes of the channels, respectively. Recurrent neural networks capture the temporal evolution of the extracted spatial features. We have validated the accuracy of the proposed AD system in capturing diverse channel fault types using the LHC Run-2 collision data sets. The GraphSTAD system has achieved production-level accuracy and is being integrated into the CMS core production system--for real-time monitoring of the HCAL. We have also provided a quantitative performance comparison with alternative benchmark models to demonstrate the promising leverage of the presented system.
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How AI can actually be helpful in disaster response
But one effort from the US Department of Defense does seem to be effective: xView2. Though it's still in its early phases of deployment, this visual computing project has already helped with disaster logistics and on the ground rescue missions in Turkey. An open-source project that was sponsored and developed by the Pentagon's Defense Innovation Unit and Carnegie Mellon University's Software Engineering Institute in 2019, xView2 has collaborated with many research partners, including Microsoft and the University of California, Berkeley. It uses machine-learning algorithms in conjunction with satellite imagery from other providers to identify building and infrastructure damage in the disaster area and categorize its severity much faster than is possible with current methods. Ritwik Gupta, the principal AI scientist at the Defense Innovation Unit and a researcher at Berkeley, tells me this means the program can directly help first responders and recovery experts on the ground quickly get an assessment that can aid in finding survivors and help coordinate reconstruction efforts over time.
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Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy
Huang, Yufei, Wu, Lirong, Lin, Haitao, Zheng, Jiangbin, Wang, Ge, Li, Stan Z.
Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is more informative has become a promising research topic. However, there are three major challenges facing protein structure pretraining: insufficient sample diversity, physically unrealistic modeling, and the lack of protein-specific pretext tasks. To try to address these challenges, we present the 3D Geometric Pretraining. In this paper, we propose a unified framework for protein pretraining and a 3D geometric-based, data-efficient, and protein-specific pretext task: RefineDiff (Refine the Diffused Protein Structure Decoy). After pretraining our geometric-aware model with this task on limited data(less than 1% of SOTA models), we obtained informative protein representations that can achieve comparable performance for various downstream tasks.
- Asia > Middle East > Republic of Türkiye > Adıyaman Province > Adiyaman (0.04)
- Asia > China > Zhejiang Province > Hangzhou (0.04)
Iterative SE(3)-Transformers
Fuchs, Fabian B., Wagstaff, Edward, Dauparas, Justas, Posner, Ingmar
When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.
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