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Summary Large scientific facilities provide researchers with instrumentation, data, and data products that can accelerate scientific discovery. However, increasing data volumes coupled with limited local computational power prevents researchers from taking full advantage of what these facilities can offer. Many researchers looked into using commercial and academic cyberinfrastructure (CI) to process these data. Nevertheless, there remains a disconnect between large facilities and CI that requires researchers to be actively part of the data processing cycle. The increasing complexity of CI and data scale necessitates new data delivery models, those that can autonomously integrate large‐scale scientific facilities and CI to deliver real‐time data and insights. In this paper, we present our initial efforts using the Ocean Observatories Initiative project as a use case. In particular, we present a subscription‐based data streaming service for data delivery that leverages the Apache Kafka data streaming platform. We also show how our solution can automatically integrate large‐scale facilities with CI services for automated data processing. 

Abstract RNA‐protein interactions play essential roles in regulating gene expression. While some RNA‐protein interactions are “specific”, that is, the RNA‐binding proteins preferentially bind to particular RNA sequence or structural motifs, others are “non‐RNA specific.” Deciphering the protein‐RNA recognition code is essential for comprehending the functional implications of these interactions and for developing new therapies for many diseases. Because of the high cost of experimental determination of protein‐RNA interfaces, there is a need for computational methods to identify RNA‐binding residues in proteins. While most of the existing computational methods for predicting RNA‐binding residues in RNA‐binding proteins are oblivious to the characteristics of the partner RNA, there is growing interest in methods for partner‐specific prediction of RNA binding sites in proteins. In this work, we assess the performance of two recently published partner‐specific protein‐RNA interface prediction tools, PS‐PRIP, and PRIdictor, along with our own new tools. Specifically, we introduce a novel metric, RNA‐specificity metric (RSM), for quantifying the RNA‐specificity of the RNA binding residues predicted by such tools. Our results show that the RNA‐binding residues predicted by previously published methods are oblivious to the characteristics of the putative RNA binding partner. Moreover, when evaluated using partner‐agnostic metrics, RNA partner‐specific methods are outperformed by the state‐of‐the‐art partner‐agnostic methods. We conjecture that either (a) the protein‐RNA complexes in PDB are not representative of the protein‐RNA interactions in nature, or (b) the current methods for partner‐specific prediction of RNA‐binding residues in proteins fail to account for the differences in RNA partner‐specific versus partner‐agnostic protein‐RNA interactions, or both. 

Large-scale multiuser scientific facilities, such as geographically distributed observatories, remote instruments, and experimental platforms, represent some of the largest national investments and can enable dramatic advances across many areas of science. Recent examples of such advances include the detection of gravitational waves and the imaging of a black hole’s event horizon. However, as the number of such facilities and their users grow, along with the complexity, diversity, and volumes of their data products, finding and accessing relevant data is becoming increasingly challenging, limiting the potential impact of facilities. These challenges are further amplified as scientists and application workflows increasingly try to integrate facilities’ data from diverse domains. In this paper, we leverage concepts underlying recommender systems, which are extremely effective in e-commerce, to address these data-discovery and data-access challenges for large-scale distributed scientific facilities. We first analyze data from facilities and identify and model user-query patterns in terms of facility location and spatial localities, domain-specific data models, and user associations. We then use this analysis to generate a knowledge graph and develop the collaborative knowledge-aware graph attention network (CKAT) recommendation model, which leverages graph neural networks (GNNs) to explicitly encode the collaborative signals through propagation and combine them with knowledge associations. Moreover, we integrate a knowledge-aware neural attention mechanism to enable the CKAT to pay more attention to key information while reducing irrelevant noise, thereby increasing the accuracy of the recommendations. We apply the proposed model on two real-world facility datasets and empirically demonstrate that the CKAT can effectively facilitate data discovery, significantly outperforming several compelling state-of-the-art baseline models. 

Our research aims to improve the accuracy of Earthquake Early Warning (EEW) systems by means of machine learning. EEW systems are designed to detect and characterize medium and large earthquakes before their damaging effects reach a certain location. Traditional EEW methods based on seismometers fail to accurately identify large earthquakes due to their sensitivity to the ground motion velocity. The recently introduced high-precision GPS stations, on the other hand, are ineffective to identify medium earthquakes due to its propensity to produce noisy data. In addition, GPS stations and seismometers may be deployed in large numbers across different locations and may produce a significant volume of data consequently, affecting the response time and the robustness of EEW systems.In practice, EEW can be seen as a typical classification problem in the machine learning field: multi-sensor data are given in input, and earthquake severity is the classification result. In this paper, we introduce the Distributed Multi-Sensor Earthquake Early Warning (DMSEEW) system, a novel machine learning-based approach that combines data from both types of sensors (GPS stations and seismometers) to detect medium and large earthquakes. DMSEEW is based on a new stacking ensemble method which has been evaluated on a real-world dataset validated with geoscientists. The system builds on a geographically distributed infrastructure, ensuring an efficient computation in terms of response time and robustness to partial infrastructure failures. Our experiments show that DMSEEW is more accurate than the traditional seismometer-only approach and the combined-sensors (GPS and seismometers) approach that adopts the rule of relative strength. 

Graph Neural Networks (GNN) offer the powerful approach to node classification in complex networks across many domains including social media, E-commerce, and FinTech. However, recent studies show that GNNs are vulnerable to attacks aimed at adversely impacting their node classification performance. Existing studies of adversarial attacks on GNN focus primarily on manipulating the connectivity between existing nodes, a task that requires greater effort on the part of the attacker in real-world applications. In contrast, it is much more expedient on the part of the attacker to inject adversarial nodes, e.g., fake profiles with forged links, into existing graphs so as to reduce the performance of the GNN in classifying existing nodes. Hence, we consider a novel form of node injection poisoning attacks on graph data. We model the key steps of a node injection attack, e.g., establishing links between the injected adversarial nodes and other nodes, choosing the label of an injected node, etc. by a Markov Decision Process. We propose a novel reinforcement learning method for Node Injection Poisoning Attacks (NIPA), to sequentially modify the labels and links of the injected nodes, without changing the connectivity between existing nodes. Specifically, we introduce a hierarchical Q-learning network to manipulate the labels of the adversarial nodes and their links with other nodes in the graph, and design an appropriate reward function to guide the reinforcement learning agent to reduce the node classification performance of GNN. The results of the experiments show that NIPA is consistently more effective than the baseline node injection attack methods for poisoning graph data on three benchmark datasets.