pwc-archive/papers-with-abstracts huggingface dataset:
Experimenting with an Evaluation Framework for Imbalanced Data Learning (EFIDL)
Authors: Chenyu Li, Xia Jiang
Date: 2023-01-26 00:00:00
Tasks: Data Augmentation, Fraud Detection, imbalanced classification, Spam detection

Introduction Data imbalance is one of the crucial issues in big data analysis with fewer labels. For example, in real-world healthcare data, spam detection labels, and financial fraud detection datasets. Many data balance methods were introduced to improve machine learning algorithms' performance. Research claims SMOTE and SMOTE-based data-augmentation (generate new data points) methods could improve algorithm performance. However, we found in many online tutorials, the valuation methods were applied based on synthesized datasets that introduced bias into the evaluation, and the performance got a false improvement. In this study, we proposed, a new evaluation framework for imbalanced data learning methods. We have experimented on five data balance methods and whether the performance of algorithms will improve or not. Methods We collected 8 imbalanced healthcare datasets with different imbalanced rates from different domains. Applied 6 data augmentation methods with 11 machine learning methods testing if the data augmentation will help with improving machine learning performance. We compared the traditional data augmentation evaluation methods with our proposed cross-validation evaluation framework Results Using traditional data augmentation evaluation meta hods will give a false impression of improving the performance. However, our proposed evaluation method shows data augmentation has limited ability to improve the results. Conclusion EFIDL is more suitable for evaluating the prediction performance of an ML method when data are augmented. Using an unsuitable evaluation framework will give false results. Future researchers should consider the evaluation framework we proposed when dealing with augmented datasets. Our experiments showed data augmentation does not help improve ML prediction performance.
SuperFedNAS: Cost-Efficient Federated Neural Architecture Search for On-Device Inference
Authors: Alind Khare, Animesh Agrawal, Aditya Annavajjala, Payman Behnam, Myungjin Lee, Hugo Latapie, Alexey Tumanov
Date: 2023-01-26 00:00:00
Tasks: Federated Learning, Neural Architecture Search, Privacy Preserving

Neural Architecture Search (NAS) for Federated Learning (FL) is an emerging field. It automates the design and training of Deep Neural Networks (DNNs) when data cannot be centralized due to privacy, communication costs, or regulatory restrictions. Recent federated NAS methods not only reduce manual effort but also help achieve higher accuracy than traditional FL methods like FedAvg. Despite the success, existing federated NAS methods still fall short in satisfying diverse deployment targets common in on-device inference like hardware, latency budgets, or variable battery levels. Most federated NAS methods search for only a limited range of neuro-architectural patterns, repeat them in a DNN, thereby restricting achievable performance. Moreover, these methods incur prohibitive training costs to satisfy deployment targets. They perform the training and search of DNN architectures repeatedly for each case. SuperFedNAS addresses these challenges by decoupling the training and search in federated NAS. SuperFedNAS co-trains a large number of diverse DNN architectures contained inside one supernet in the FL setting. Post-training, clients perform NAS locally to find specialized DNNs by extracting different parts of the trained supernet with no additional training. SuperFedNAS takes O(1) (instead of O(N)) cost to find specialized DNN architectures in FL for any N deployment targets. As part of SuperFedNAS, we introduce MaxNet - a novel FL training algorithm that performs multi-objective federated optimization of a large number of DNN architectures ($\approx 5*10^8$) under different client data distributions. Overall, SuperFedNAS achieves upto 37.7% higher accuracy for the same MACs or upto 8.13x reduction in MACs for the same accuracy than existing federated NAS methods.
Qualitative Analysis of a Graph Transformer Approach to Addressing Hate Speech: Adapting to Dynamically Changing Content
Authors: Liam Hebert, Hong Yi Chen, Robin Cohen, Lukasz Golab
Date: 2023-01-25 00:00:00
Tasks: Hate Speech Detection

Our work advances an approach for predicting hate speech in social media, drawing out the critical need to consider the discussions that follow a post to successfully detect when hateful discourse may arise. Using graph transformer networks, coupled with modelling attention and BERT-level natural language processing, our approach can capture context and anticipate upcoming anti-social behaviour. In this paper, we offer a detailed qualitative analysis of this solution for hate speech detection in social networks, leading to insights into where the method has the most impressive outcomes in comparison with competitors and identifying scenarios where there are challenges to achieving ideal performance. Included is an exploration of the kinds of posts that permeate social media today, including the use of hateful images. This suggests avenues for extending our model to be more comprehensive. A key insight is that the focus on reasoning about the concept of context positions us well to be able to support multi-modal analysis of online posts. We conclude with a reflection on how the problem we are addressing relates especially well to the theme of dynamic change, a critical concern for all AI solutions for social impact. We also comment briefly on how mental health well-being can be advanced with our work, through curated content attuned to the extent of hate in posts.
Learning Gradients of Convex Functions with Monotone Gradient Networks
Authors: Shreyas Chaudhari, Srinivasa Pranav, José M. F. Moura
Date: 2023-01-25 00:00:00

While much effort has been devoted to deriving and analyzing effective convex formulations of signal processing problems, the gradients of convex functions also have critical applications ranging from gradient-based optimization to optimal transport. Recent works have explored data-driven methods for learning convex objective functions, but learning their monotone gradients is seldom studied. In this work, we propose C-MGN and M-MGN, two monotone gradient neural network architectures for directly learning the gradients of convex functions. We show that, compared to state of the art methods, our networks are easier to train, learn monotone gradient fields more accurately, and use significantly fewer parameters. We further demonstrate their ability to learn optimal transport mappings to augment driving image data.
Improving Graph Generation by Restricting Graph Bandwidth
Authors: Nathaniel Diamant, Alex M. Tseng, Kangway V. Chuang, Tommaso Biancalani, Gabriele Scalia
Date: 2023-01-25 00:00:00
Tasks: Graph Generation

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.
Partial Mobilization: Tracking Multilingual Information Flows Amongst Russian Media Outlets and Telegram
Authors: Hans W. A. Hanley, Zakir Durumeric
Date: 2023-01-25 00:00:00
Tasks: Articles, Time Series Analysis

In response to disinformation and propaganda from Russian online media following the invasion of Ukraine, Russian media outlets such as Russia Today and Sputnik News were banned throughout Europe. To maintain viewership, many of these Russian outlets began to heavily promote their content on messaging services like Telegram. In this work, we study how 16 Russian media outlets interacted with and utilized 732 Telegram channels throughout 2022. Leveraging the foundational model MPNet, DP-means clustering, and Hawkes processes, we trace how narratives spread between news sites and Telegram channels. We show that news outlets not only propagate existing narratives through Telegram but that they source material from the messaging platform. For example, across the websites in our study, between 2.3% (ura.news) and 26.7% (ukraina.ru) of articles discussed content that originated/resulted from activity on Telegram. Finally, tracking the spread of individual topics, we measure the rate at which news outlets and Telegram channels disseminate content within the Russian media ecosystem, finding that websites like ura.news and Telegram channels such as @genshab are the most effective at disseminating their content.
When Layers Play the Lottery, all Tickets Win at Initialization
Authors: Artur Jordao, George Correa de Araujo, Helena de Almeida Maia, Helio Pedrini
Date: 2023-01-25 00:00:00
Tasks: All

Pruning is a standard technique for reducing the computational cost of deep networks. Many advances in pruning leverage concepts from the Lottery Ticket Hypothesis (LTH). LTH reveals that inside a trained dense network exists sparse subnetworks (tickets) able to achieve similar accuracy (i.e., win the lottery - winning tickets). Pruning at initialization focuses on finding winning tickets without training a dense network. Studies on these concepts share the trend that subnetworks come from weight or filter pruning. In this work, we investigate LTH and pruning at initialization from the lens of layer pruning. First, we confirm the existence of winning tickets when the pruning process removes layers. Leveraged by this observation, we propose to discover these winning tickets at initialization, eliminating the requirement of heavy computational resources for training the initial (over-parameterized) dense network. Extensive experiments show that our winning tickets notably speed up the training phase and reduce up to 51% of carbon emission, an important step towards democratization and green Artificial Intelligence. Beyond computational benefits, our winning tickets exhibit robustness against adversarial and out-of-distribution examples. Finally, we show that our subnetworks easily win the lottery at initialization while tickets from filter removal (the standard structured LTH) hardly become winning tickets.
Unsupervised Protein-Ligand Binding Energy Prediction via Neural Euler's Rotation Equation
Authors: Wengong Jin, Siranush Sarkizova, Xun Chen, Nir Hacohen, Caroline Uhler
Date: 2023-01-25 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Denoising, Drug Discovery, Prediction

Protein-ligand binding prediction is a fundamental problem in AI-driven drug discovery. Prior work focused on supervised learning methods using a large set of binding affinity data for small molecules, but it is hard to apply the same strategy to other drug classes like antibodies as labelled data is limited. In this paper, we explore unsupervised approaches and reformulate binding energy prediction as a generative modeling task. Specifically, we train an energy-based model on a set of unlabelled protein-ligand complexes using SE(3) denoising score matching and interpret its log-likelihood as binding affinity. Our key contribution is a new equivariant rotation prediction network called Neural Euler's Rotation Equations (NERE) for SE(3) score matching. It predicts a rotation by modeling the force and torque between protein and ligand atoms, where the force is defined as the gradient of an energy function with respect to atom coordinates. We evaluate NERE on protein-ligand and antibody-antigen binding affinity prediction benchmarks. Our model outperforms all unsupervised baselines (physics-based and statistical potentials) and matches supervised learning methods in the antibody case.
On the inconsistency of separable losses for structured prediction
Authors: Caio Corro
Date: 2023-01-25 00:00:00
Tasks: Prediction, Structured Prediction

In this paper, we prove that separable negative log-likelihood losses for structured prediction are not necessarily Bayes consistent, or, in other words, minimizing these losses may not result in a model that predicts the most probable structure in the data distribution for a given input. This fact opens the question of whether these losses are well-adapted for structured prediction and, if so, why.
Graph Neural Tangent Kernel: Convergence on Large Graphs
Authors: Sanjukta Krishnagopal, Luana Ruiz
Date: 2023-01-25 00:00:00
Tasks: Node Classification, Node Regression, regression

Graph neural networks (GNNs) achieve remarkable performance in graph machine learning tasks but can be hard to train on large-graph data, where their learning dynamics are not well understood. We investigate the training dynamics of large-graph GNNs using graph neural tangent kernels (GNTKs) and graphons. In the limit of large width, optimization of an overparametrized NN is equivalent to kernel regression on the NTK. Here, we investigate how the GNTK evolves as another independent dimension is varied: the graph size. We use graphons to define limit objects -- graphon NNs for GNNs, and graphon NTKs for GNTKs -- , and prove that, on a sequence of graphs, the GNTKs converge to the graphon NTK. We further prove that the spectrum of the GNTK, which is related to the directions of fastest learning which becomes relevant during early stopping, converges to the spectrum of the graphon NTK. This implies that in the large-graph limit, the GNTK fitted on a graph of moderate size can be used to solve the same task on the large graph, and to infer the learning dynamics of the large-graph GNN. These results are verified empirically on node regression and classification tasks.
Evaluating Probabilistic Classifiers: The Triptych
Authors: Timo Dimitriadis, Tilmann Gneiting, Alexander I. Jordan, Peter Vogel
Date: 2023-01-25 00:00:00
Tasks: Diagnostic

Probability forecasts for binary outcomes, often referred to as probabilistic classifiers or confidence scores, are ubiquitous in science and society, and methods for evaluating and comparing them are in great demand. We propose and study a triptych of diagnostic graphics that focus on distinct and complementary aspects of forecast performance: The reliability diagram addresses calibration, the receiver operating characteristic (ROC) curve diagnoses discrimination ability, and the Murphy diagram visualizes overall predictive performance and value. A Murphy curve shows a forecast's mean elementary scores, including the widely used misclassification rate, and the area under a Murphy curve equals the mean Brier score. For a calibrated forecast, the reliability curve lies on the diagonal, and for competing calibrated forecasts, the ROC and Murphy curves share the same number of crossing points. We invoke the recently developed CORP (Consistent, Optimally binned, Reproducible, and Pool-Adjacent-Violators (PAV) algorithm based) approach to craft reliability diagrams and decompose a mean score into miscalibration (MCB), discrimination (DSC), and uncertainty (UNC) components. Plots of the DSC measure of discrimination ability versus the calibration metric MCB visualize classifier performance across multiple competitors. The proposed tools are illustrated in empirical examples from astrophysics, economics, and social science.
Unravelling physics beyond the standard model with classical and quantum anomaly detection
Authors: Julian Schuhmacher, Laura Boggia, Vasilis Belis, Ema Puljak, Michele Grossi, Maurizio Pierini, Sofia Vallecorsa, Francesco Tacchino, Panagiotis Barkoutsos, Ivano Tavernelli
Date: 2023-01-25 00:00:00
Tasks: Anomaly Detection

Much hope for finding new physics phenomena at microscopic scale relies on the observations obtained from High Energy Physics experiments, like the ones performed at the Large Hadron Collider (LHC). However, current experiments do not indicate clear signs of new physics that could guide the development of additional Beyond Standard Model (BSM) theories. Identifying signatures of new physics out of the enormous amount of data produced at the LHC falls into the class of anomaly detection and constitutes one of the greatest computational challenges. In this article, we propose a novel strategy to perform anomaly detection in a supervised learning setting, based on the artificial creation of anomalies through a random process. For the resulting supervised learning problem, we successfully apply classical and quantum Support Vector Classifiers (CSVC and QSVC respectively) to identify the artificial anomalies among the SM events. Even more promising, we find that employing an SVC trained to identify the artificial anomalies, it is possible to identify realistic BSM events with high accuracy. In parallel, we also explore the potential of quantum algorithms for improving the classification accuracy and provide plausible conditions for the best exploitation of this novel computational paradigm.
Quantum anomaly detection in the latent space of proton collision events at the LHC
Authors: Vasilis Belis, Kinga Anna Woźniak, Ema Puljak, Panagiotis Barkoutsos, Günther Dissertori, Michele Grossi, Maurizio Pierini, Florentin Reiter, Ivano Tavernelli, Sofia Vallecorsa
Date: 2023-01-25 00:00:00
Tasks: Anomaly Detection, Quantum Machine Learning

The ongoing quest to discover new phenomena at the LHC necessitates the continuous development of algorithms and technologies. Established approaches like machine learning, along with emerging technologies such as quantum computing show promise in the enhancement of experimental capabilities. In this work, we propose a strategy for anomaly detection tasks at the LHC based on unsupervised quantum machine learning, and demonstrate its effectiveness in identifying new phenomena. The designed quantum models, an unsupervised kernel machine and two clustering algorithms, are trained to detect new-physics events using a latent representation of LHC data, generated by an autoencoder designed to accommodate current quantum hardware limitations on problem size. For kernel-based anomaly detection, we implement an instance of the model on a quantum computer, and we identify a regime where it significantly outperforms its classical counterparts. We show that the observed performance enhancement is related to the quantum resources utilised by the model.
Gene-SGAN: a method for discovering disease subtypes with imaging and genetic signatures via multi-view weakly-supervised deep clustering
Authors: Zhijian Yang, Junhao Wen, Ahmed Abdulkadir, Yuhan Cui, Guray Erus, Elizabeth Mamourian, Randa Melhem, Dhivya Srinivasan, Sindhuja T. Govindarajan, Jiong Chen, Mohamad Habes, Colin L. Masters, Paul Maruff, Jurgen Fripp, Luigi Ferrucci, Marilyn S. Albert, Sterling C. Johnson, John C. Morris, Pamela Lamontagne, Daniel S. Marcus, Tammie L. S. Benzinger, David A. Wolk, Li Shen, Jingxuan Bao, Susan M. Resnick, Haochang Shou, Ilya M. Nasrallah, Christos Davatzikos
Date: 2023-01-25 00:00:00
Tasks: Deep Clustering

Disease heterogeneity has been a critical challenge for precision diagnosis and treatment, especially in neurologic and neuropsychiatric diseases. Many diseases can display multiple distinct brain phenotypes across individuals, potentially reflecting disease subtypes that can be captured using MRI and machine learning methods. However, biological interpretability and treatment relevance are limited if the derived subtypes are not associated with genetic drivers or susceptibility factors. Herein, we describe Gene-SGAN - a multi-view, weakly-supervised deep clustering method - which dissects disease heterogeneity by jointly considering phenotypic and genetic data, thereby conferring genetic correlations to the disease subtypes and associated endophenotypic signatures. We first validate the generalizability, interpretability, and robustness of Gene-SGAN in semi-synthetic experiments. We then demonstrate its application to real multi-site datasets from 28,858 individuals, deriving subtypes of Alzheimer's disease and brain endophenotypes associated with hypertension, from MRI and SNP data. Derived brain phenotypes displayed significant differences in neuroanatomical patterns, genetic determinants, biological and clinical biomarkers, indicating potentially distinct underlying neuropathologic processes, genetic drivers, and susceptibility factors. Overall, Gene-SGAN is broadly applicable to disease subtyping and endophenotype discovery, and is herein tested on disease-related, genetically-driven neuroimaging phenotypes.
LoRaLay: A Multilingual and Multimodal Dataset for Long Range and Layout-Aware Summarization
Authors: Laura Nguyen, Thomas Scialom, Benjamin Piwowarski, Jacopo Staiano
Date: 2023-01-26 00:00:00
Tasks: Text Summarization

Text Summarization is a popular task and an active area of research for the Natural Language Processing community. By definition, it requires to account for long input texts, a characteristic which poses computational challenges for neural models. Moreover, real-world documents come in a variety of complex, visually-rich, layouts. This information is of great relevance, whether to highlight salient content or to encode long-range interactions between textual passages. Yet, all publicly available summarization datasets only provide plain text content. To facilitate research on how to exploit visual/layout information to better capture long-range dependencies in summarization models, we present LoRaLay, a collection of datasets for long-range summarization with accompanying visual/layout information. We extend existing and popular English datasets (arXiv and PubMed) with layout information and propose four novel datasets -- consistently built from scholar resources -- covering French, Spanish, Portuguese, and Korean languages. Further, we propose new baselines merging layout-aware and long-range models -- two orthogonal approaches -- and obtain state-of-the-art results, showing the importance of combining both lines of research.
SemSup-XC: Semantic Supervision for Zero and Few-shot Extreme Classification
Authors: Pranjal Aggarwal, Ameet Deshpande, Karthik Narasimhan
Date: 2023-01-26 00:00:00
Tasks: Contrastive Learning

Extreme classification (XC) involves predicting over large numbers of classes (thousands to millions), with real-world applications like news article classification and e-commerce product tagging. The zero-shot version of this task requires generalization to novel classes without additional supervision. In this paper, we develop SemSup-XC, a model that achieves state-of-the-art zero-shot and few-shot performance on three XC datasets derived from legal, e-commerce, and Wikipedia data. To develop SemSup-XC, we use automatically collected semantic class descriptions to represent classes and facilitate generalization through a novel hybrid matching module that matches input instances to class descriptions using a combination of semantic and lexical similarity. Trained with contrastive learning, SemSup-XC significantly outperforms baselines and establishes state-of-the-art performance on all three datasets considered, gaining up to 12 precision points on zero-shot and more than 10 precision points on one-shot tests, with similar gains for recall@10. Our ablation studies highlight the relative importance of our hybrid matching module and automatically collected class descriptions.