This paper presents a combination of machine learning techniques to enable prompt evaluation of retired electric vehicle batteries as to either retain those batteries for a second-life application and extend their operation beyond the original and first intent or send them to recycle facilities. The proposed algorithm generates features from available battery current and voltage measurements with simple statistics, selects and ranks the features using correlation analysis, and employs Gaussian Process Regression enhanced with bagging. This approach is validated over publicly available aging datasets of more than 200 cells with slow and fast charging, with different cathode chemistries, and for diverse operating conditions. Promising results are observed based on multiple training-test partitions, wherein the mean of Root Mean Squared Percent Error and Mean Percent Error performance errors are found to be less than 1.48% and 1.29%, respectively, in the worst-case scenarios.

A relational dataset is often analyzed by optimally assigning a label to each element through clustering or ordering. While similar characterizations of a dataset would be achieved by both clustering and ordering methods, the former has been studied much more actively than the latter, particularly for the data represented as graphs. This study fills this gap by investigating methodological relationships between several clustering and ordering methods, focusing on spectral techniques. Furthermore, we evaluate the resulting performance of the clustering and ordering methods. To this end, we propose a measure called the label continuity error, which generically quantifies the degree of consistency between a sequence and partition for a set of elements. Based on synthetic and real-world datasets, we evaluate the extents to which an ordering method identifies a module structure and a clustering method identifies a banded structure.

The shipping industry is one of the strongest anthropogenic emitters of $\text{NO}_\text{x}$ -- substance harmful both to human health and the environment. The rapid growth of the industry causes societal pressure on controlling the emission levels produced by ships. All the methods currently used for ship emission monitoring are costly and require proximity to a ship, which makes global and continuous emission monitoring impossible. A promising approach is the application of remote sensing. Studies showed that some of the $\text{NO}_\text{2}$ plumes from individual ships can visually be distinguished using the TROPOspheric Monitoring Instrument on board the Copernicus Sentinel 5 Precursor (TROPOMI/S5P). To deploy a remote sensing-based global emission monitoring system, an automated procedure for the estimation of $\text{NO}_\text{2}$ emissions from individual ships is needed. The extremely low signal-to-noise ratio of the available data as well as the absence of ground truth makes the task very challenging. Here, we present a methodology for the automated segmentation of $\text{NO}_\text{2}$ plumes produced by seagoing ships using supervised machine learning on TROPOMI/S5P data. We show that the proposed approach leads to a more than a 20\% increase in the average precision score in comparison to the methods used in previous studies and results in a high correlation of 0.834 with the theoretically derived ship emission proxy. This work is a crucial step toward the development of an automated procedure for global ship emission monitoring using remote sensing data.

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision transformer, which applies to image patches, we propose a new Transformer-based graph neural network: Patch Graph Transformer (PatchGT). Unlike previous transformer-based models for learning graph representations, PatchGT learns from non-trainable graph patches, not from nodes directly. It can help save computation and improve the model performance. The key idea is to segment a graph into patches based on spectral clustering without any trainable parameters, with which the model can first use GNN layers to learn patch-level representations and then use Transformer to obtain graph-level representations. The architecture leverages the spectral information of graphs and combines the strengths of GNNs and Transformers. Further, we show the limitations of previous hierarchical trainable clusters theoretically and empirically. We also prove the proposed non-trainable spectral clustering method is permutation invariant and can help address the information bottlenecks in the graph. PatchGT achieves higher expressiveness than 1-WL-type GNNs, and the empirical study shows that PatchGT achieves competitive performances on benchmark datasets and provides interpretability to its predictions. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/PatchGT.

In the recent years, machine learning has made great advancements that have been at the root of many breakthroughs in different application domains. However, it is still an open issue how make them applicable to high-stakes or safety-critical application domains, as they can often be brittle and unreliable. In this paper, we argue that requirements definition and satisfaction can go a long way to make machine learning models even more fitting to the real world, especially in critical domains. To this end, we present two problems in which (i) requirements arise naturally, (ii) machine learning models are or can be fruitfully deployed, and (iii) neglecting the requirements can have dramatic consequences. We show how the requirements specification can be fruitfully integrated into the standard machine learning development pipeline, proposing a novel pyramid development process in which requirements definition may impact all the subsequent phases in the pipeline, and viceversa.

Abstract--Performance debugging in production is a fundamental activity in modern service-based systems. The diagnosis of performance issues is often time-consuming, since it requires thorough inspection of large volumes of traces and performance indices. In this paper we present DeLag, a novel automated search-based approach for diagnosing performance issues in service-based systems. DeLag identifies subsets of requests that show, in the combination of their Remote Procedure Call execution times, symptoms of potentially relevant performance issues. We call such symptoms Latency Degradation Patterns. DeLag simultaneously searches for multiple latency degradation patterns while optimizing precision, recall and latency dissimilarity. Experimentation on 700 datasets of requests generated from two microservice-based systems shows that our approach provides better and more stable effectiveness than three state-of-the-art approaches and general purpose machine learning clustering algorithms. DeLag is more effective than all baseline techniques in at least one case study (with p 0.05 and non-negligible effect size). Moreover, DeLag outperforms in terms of efficiency the second and the third most effective baseline techniques on the largest datasets used in our evaluation (up to 22%). In order to support this fastpaced issue, and initial understanding, scoping and localization release cycle, IT organizations often employ several are among the most time-consuming phases during debugging. Unfortunately, frequent software releases often service-based systems [9], [10], [11], [12], [13], [14], [15], the hamper the ability to deliver high quality software [3]. For reduction of the manual effort and the time needed is still example, widely used performance assurance techniques, critical. Also, given the complexity of these systems rely on pattern mining to spot patterns in trace attributes and their workloads [6], it is often unfeasible to proactively (e.g., request size, response size, RPCs execution times) detect performance issues in a testing environment [7].

With the growing concern about the security and privacy of smart grid systems, cyberattacks on critical power grid components, such as state estimation, have proven to be one of the top-priority cyber-related issues and have received significant attention in recent years. However, cyberattack detection in smart grids now faces new challenges, including privacy preservation and decentralized power zones with strategic data owners. To address these technical bottlenecks, this paper proposes a novel Federated Learning-based privacy-preserving and communication-efficient attack detection framework, known as FedDiSC, that enables Discrimination between power System disturbances and Cyberattacks. Specifically, we first propose a Federated Learning approach to enable Supervisory Control and Data Acquisition subsystems of decentralized power grid zones to collaboratively train an attack detection model without sharing sensitive power related data. Secondly, we put forward a representation learning-based Deep Auto-Encoder network to accurately detect power system and cybersecurity anomalies. Lastly, to adapt our proposed framework to the timeliness of real-world cyberattack detection in SGs, we leverage the use of a gradient privacy-preserving quantization scheme known as DP-SIGNSGD to improve its communication efficiency. Extensive simulations of the proposed framework on publicly available Industrial Control Systems datasets demonstrate that the proposed framework can achieve superior detection accuracy while preserving the privacy of sensitive power grid related information. Furthermore, we find that the gradient quantization scheme utilized improves communication efficiency by 40% when compared to a traditional federated learning approach without gradient quantization which suggests suitability in a real-world scenario.

GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an application developer is to utilize directive-based parallel programming models, such as OpenMP. However, even with OpenMP, the developer must choose from among many strategies for exploiting a GPU or a CPU. Recently, Machine Learning (ML) approaches have brought significant advances in the optimizations of HPC applications. To this end, several ways have been proposed to represent application characteristics for ML models. However, the available techniques fail to capture features that are crucial for exposing parallelism. In this paper, we introduce a new graph-based program representation for parallel applications that extends the Abstract Syntax Tree to represent control and data flow information. The originality of this work lies in the addition of new edges exploiting the implicit ordering and parent-child relationships in ASTs, as well as the introduction of edge weights to account for loop and condition information. We evaluate our proposed representation by training a Graph Neural Network (GNN) to predict the runtime of an OpenMP code region across CPUs and GPUs. Various transformations utilizing collapse and data transfer between the CPU and GPU are used to construct the dataset. The predicted runtime of the model is used to determine which transformation provides the best performance. Results show that our approach is indeed effective and has normalized RMSE as low as 0.004 to at most 0.01 in its runtime predictions.

High-dimensional multimodal data arises in many scientific fields. The integration of multimodal data becomes challenging when there is no known correspondence between the samples and the features of different datasets. To tackle this challenge, we introduce AVIDA, a framework for simultaneously performing data alignment and dimension reduction. In the numerical experiments, Gromov-Wasserstein optimal transport and t-distributed stochastic neighbor embedding are used as the alignment and dimension reduction modules respectively. We show that AVIDA correctly aligns high-dimensional datasets without common features with four synthesized datasets and two real multimodal single-cell datasets. Compared to several existing methods, we demonstrate that AVIDA better preserves structures of individual datasets, especially distinct local structures in the joint low-dimensional visualization, while achieving comparable alignment performance. Such a property is important in multimodal single-cell data analysis as some biological processes are uniquely captured by one of the datasets. In general applications, other methods can be used for the alignment and dimension reduction modules.

In online experimentation, appropriate metrics (e.g., purchase) provide strong evidence to support hypotheses and enhance the decision-making process. However, incomplete metrics are frequently occurred in the online experimentation, making the available data to be much fewer than the planned online experiments (e.g., A/B testing). In this work, we introduce the concept of dropout buyers and categorize users with incomplete metric values into two groups: visitors and dropout buyers. For the analysis of incomplete metrics, we propose a clustering-based imputation method using $k$-nearest neighbors. Our proposed imputation method considers both the experiment-specific features and users' activities along their shopping paths, allowing different imputation values for different users. To facilitate efficient imputation of large-scale data sets in online experimentation, the proposed method uses a combination of stratification and clustering. The performance of the proposed method is compared to several conventional methods in both simulation studies and a real online experiment at eBay.