Modern computational science and engineering applications are being improved by the advances in scientific machine learning. Data-driven methods such as Dynamic Mode Decomposition (DMD) can extract coherent structures from spatio-temporal data generated from dynamical systems and infer different scenarios for said systems. The spatio-temporal data comes as snapshots containing spatial information for each time instant. In modern engineering applications, the generation of high-dimensional snapshots can be time and/or resource-demanding. In the present study, we consider two strategies for enhancing DMD workflow in large numerical simulations: (i) snapshots compression to relieve disk pressure; (ii) the use of in situ visualization images to reconstruct the dynamics (or part of) in runtime. We evaluate our approaches with two 3D fluid dynamics simulations and consider DMD to reconstruct the solutions. Results reveal that snapshot compression considerably reduces the required disk space. We have observed that lossy compression reduces storage by almost $50\%$ with low relative errors in the signal reconstructions and other quantities of interest. We also extend our analysis to data generated on-the-fly, using in-situ visualization tools to generate image files of our state vectors during runtime. On large simulations, the generation of snapshots may be slow enough to use batch algorithms for inference. Streaming DMD takes advantage of the incremental SVD algorithm and updates the modes with the arrival of each new snapshot. We use streaming DMD to reconstruct the dynamics from in-situ generated images. We show that this process is efficient, and the reconstructed dynamics are accurate.

Federated Learning (FL) enables data owners to train a shared global model without sharing their private data. Unfortunately, FL is susceptible to an intrinsic fairness issue: due to heterogeneity in clients' data distributions, the final trained model can give disproportionate advantages across the participating clients. In this work, we present Equal and Equitable Federated Learning (E2FL) to produce fair federated learning models by preserving two main fairness properties, equity and equality, concurrently. We validate the efficiency and fairness of E2FL in different real-world FL applications, and show that E2FL outperforms existing baselines in terms of the resulting efficiency, fairness of different groups, and fairness among all individual clients.

Textual adversarial attacks expose the vulnerabilities of text classifiers and can be used to improve their robustness. Existing context-aware methods solely consider the gold label probability and use the greedy search when searching an attack path, often limiting the attack efficiency. To tackle these issues, we propose PDBS, a context-aware textual adversarial attack model using Probability Difference guided Beam Search. The probability difference is an overall consideration of all class label probabilities, and PDBS uses it to guide the selection of attack paths. In addition, PDBS uses the beam search to find a successful attack path, thus avoiding suffering from limited search space. Extensive experiments and human evaluation demonstrate that PDBS outperforms previous best models in a series of evaluation metrics, especially bringing up to a +19.5% attack success rate. Ablation studies and qualitative analyses further confirm the efficiency of PDBS.

Remotely programming robots to execute tasks often relies on registering objects of interest in the robot's environment. Frequently, these tasks involve articulating objects such as opening or closing a valve. However, existing human-in-the-loop methods for registering objects do not consider articulations and the corresponding impact to the geometry of the object, which can cause the methods to fail. In this work, we present an approach where the registration system attempts to automatically determine the object model, pose, and articulation for user-selected points using nonlinear fitting and the iterative closest point algorithm. When the fitting is incorrect, the operator can iteratively intervene with corrections after which the system will refit the object. We present an implementation of our fitting procedure for one degree-of-freedom (DOF) objects with revolute joints and evaluate it with a user study that shows that it can improve user performance, in measures of time on task and task load, ease of use, and usefulness compared to a manual registration approach. We also present a situated example that integrates our method into an end-to-end system for articulating a remote valve.

In second-order uncertain Bayesian networks, the conditional probabilities are only known within distributions, i.e., probabilities over probabilities. The delta-method has been applied to extend exact first-order inference methods to propagate both means and variances through sum-product networks derived from Bayesian networks, thereby characterizing epistemic uncertainty, or the uncertainty in the model itself. Alternatively, second-order belief propagation has been demonstrated for polytrees but not for general directed acyclic graph structures. In this work, we extend Loopy Belief Propagation to the setting of second-order Bayesian networks, giving rise to Second-Order Loopy Belief Propagation (SOLBP). For second-order Bayesian networks, SOLBP generates inferences consistent with those generated by sum-product networks, while being more computationally efficient and scalable.

Pharmaceutical companies operate in a strictly regulated and highly risky environment in which a single slip can lead to serious financial implications. Accordingly, the announcements of clinical trial results tend to determine the future course of events, hence being closely monitored by the public. In this work, we provide statistical evidence for the result promulgation influence on the public pharma market value. Whereas most works focus on retrospective impact analysis, the present research aims to predict the numerical values of announcement-induced changes in stock prices. For this purpose, we develop a pipeline that includes a BERT-based model for extracting sentiment polarity of announcements, a Temporal Fusion Transformer for forecasting the expected return, a graph convolution network for capturing event relationships, and gradient boosting for predicting the price change. The challenge of the problem lies in inherently different patterns of responses to positive and negative announcements, reflected in a stronger and more pronounced reaction to the negative news. Moreover, such phenomenon as the drop in stocks after the positive announcements affirms the counterintuitiveness of the price behavior. Importantly, we discover two crucial factors that should be considered while working within a predictive framework. The first factor is the drug portfolio size of the company, indicating the greater susceptibility to an announcement in the case of small drug diversification. The second one is the network effect of the events related to the same company or nosology. All findings and insights are gained on the basis of one of the biggest FDA (the Food and Drug Administration) announcement datasets, consisting of 5436 clinical trial announcements from 681 companies over the last five years.

Outlier detection is a challenging activity. Several machine learning techniques are proposed in the literature for outlier detection. In this article, we propose a new training approach for bidirectional GAN (BiGAN) to detect outliers. To validate the proposed approach, we train a BiGAN with the proposed training approach to detect taxpayers, who are manipulating their tax returns. For each taxpayer, we derive six correlation parameters and three ratio parameters from tax returns submitted by him/her. We train a BiGAN with the proposed training approach on this nine-dimensional derived ground-truth data set. Next, we generate the latent representation of this data set using the $encoder$ (encode this data set using the $encoder$) and regenerate this data set using the $generator$ (decode back using the $generator$) by giving this latent representation as the input. For each taxpayer, compute the cosine similarity between his/her ground-truth data and regenerated data. Taxpayers with lower cosine similarity measures are potential return manipulators. We applied our method to analyze the iron and steel taxpayers data set provided by the Commercial Taxes Department, Government of Telangana, India.

High-quality text data has become an important data source for social scientists. We have witnessed the success of pretrained deep neural network models, such as BERT and RoBERTa, in recent social science research. In this paper, we propose a compact pretrained deep neural network, Transformer Encoder for Social Science (TESS), explicitly designed to tackle text processing tasks in social science research. Using two validation tests, we demonstrate that TESS outperforms BERT and RoBERTa by 16.7% on average when the number of training samples is limited (<1,000 training instances). The results display the superiority of TESS over BERT and RoBERTa on social science text processing tasks. Lastly, we discuss the limitation of our model and present advice for future researchers.

Diffusion models are recent state-of-the-art methods for image generation and likelihood estimation. In this work, we generalize continuous-time diffusion models to arbitrary Riemannian manifolds and derive a variational framework for likelihood estimation. Computationally, we propose new methods for computing the Riemannian divergence which is needed in the likelihood estimation. Moreover, in generalizing the Euclidean case, we prove that maximizing this variational lower-bound is equivalent to Riemannian score matching. Empirically, we demonstrate the expressive power of Riemannian diffusion models on a wide spectrum of smooth manifolds, such as spheres, tori, hyperboloids, and orthogonal groups. Our proposed method achieves new state-of-the-art likelihoods on all benchmarks.

Circular trading is a form of tax evasion in Goods and Services Tax where a group of fraudulent taxpayers (traders) aims to mask illegal transactions by superimposing several fictitious transactions (where no value is added to the goods or service) among themselves in a short period. Due to the vast database of taxpayers, it is infeasible for authorities to manually identify groups of circular traders and the illegitimate transactions they are involved in. This work uses big data analytics and graph representation learning techniques to propose a framework to identify communities of circular traders and isolate the illegitimate transactions in the respective communities. Our approach is tested on real-life data provided by the Department of Commercial Taxes, Government of Telangana, India, where we uncovered several communities of circular traders.