pwc-archive/papers-with-abstracts huggingface dataset:
Cloud-Based Real-Time Molecular Screening Platform with MolFormer
Authors: Brian Belgodere, Vijil Chenthamarakshan, Payel Das, Pierre Dognin, Toby Kurien, Igor Melnyk, Youssef Mroueh, Inkit Padhi, Mattia Rigotti, Jarret Ross, Yair Schiff, Richard A. Young
Date: 2022-08-13 00:00:00
Tasks: Drug Discovery, Language Modeling, Language Modelling, Property Prediction, Retrieval

With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen molecules of interest. For this purpose, molecular embeddings inferred from a recently proposed large chemical language model, named MolFormer, are leveraged. The platform currently supports three tasks: nearest neighbor retrieval, chemical space visualization, and property prediction. Based on the functionalities of this platform and results obtained, we believe that such a platform can play a pivotal role in automating chemistry and chemical engineering research, as well as assist in drug discovery and material design tasks. A demo of our platform is provided at \url{www.ibm.biz/molecular_demo}.
Revisiting Adversarial Attacks on Graph Neural Networks for Graph Classification
Authors: Xin Wang, Heng Chang, Beini Xie, Tian Bian, Shiji Zhou, Daixin Wang, Zhiqiang Zhang, Wenwu Zhu
Date: 2022-08-13 00:00:00
Tasks: Classification, Graph Classification

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have demonstrated their vulnerability to potentially existent adversarial examples on graph-structured data. Existing approaches are either limited to structure attacks or restricted to local information, urging for the design of a more general attack framework on graph classification, which faces significant challenges due to the complexity of generating local-node-level adversarial examples using the global-graph-level information. To address this "global-to-local" attack challenge, we present a novel and general framework to generate adversarial examples via manipulating graph structure and node features. Specifically, we make use of Graph Class Activation Mapping and its variant to produce node-level importance corresponding to the graph classification task. Then through a heuristic design of algorithms, we can perform both feature and structure attacks under unnoticeable perturbation budgets with the help of both node-level and subgraph-level importance. Experiments towards attacking four state-of-the-art graph classification models on six real-world benchmarks verify the flexibility and effectiveness of our framework.
Opinion Market Model: Stemming Far-Right Opinion Spread using Positive Interventions
Authors: Pio Calderon, Rohit Ram, Marian-Andrei Rizoiu
Date: 2022-08-13 00:00:00

Online extremism has severe societal consequences, including normalizing hate speech, user radicalization, and increased social divisions. Various mitigation strategies have been explored to address these consequences. One such strategy uses positive interventions: controlled signals that add attention to the opinion ecosystem to boost certain opinions. To evaluate the effectiveness of positive interventions, we introduce the Opinion Market Model (OMM), a two-tier online opinion ecosystem model that considers both inter-opinion interactions and the role of positive interventions. The size of the opinion attention market is modeled in the first tier using the multivariate discrete-time Hawkes process; in the second tier, opinions cooperate and compete for market share, given limited attention using the market share attraction model. We demonstrate the convergence of our proposed estimation scheme on a synthetic dataset. Next, we test OMM on two learning tasks, applying to two real-world datasets to predict attention market shares and uncover latent relationships between online items. The first dataset comprises Facebook and Twitter discussions containing moderate and far-right opinions about bushfires and climate change. The second dataset captures popular VEVO artists' YouTube and Twitter attention volumes. OMM outperforms the state-of-the-art predictive models on both datasets and captures latent cooperation-competition relations. We uncover (1) self- and cross-reinforcement between far-right and moderate opinions on the bushfires and (2) pairwise artist relations that correlate with real-world interactions such as collaborations and long-lasting feuds. Lastly, we use OMM as a testbed for positive interventions and show how media coverage modulates the spread of far-right opinions.
Riemannian accelerated gradient methods via extrapolation
Authors: Andi Han, Bamdev Mishra, Pratik Jawanpuria, Junbin Gao
Date: 2022-08-13 00:00:00

In this paper, we propose a simple acceleration scheme for Riemannian gradient methods by extrapolating iterates on manifolds. We show when the iterates are generated from Riemannian gradient descent method, the accelerated scheme achieves the optimal convergence rate asymptotically and is computationally more favorable than the recently proposed Riemannian Nesterov accelerated gradient methods. Our experiments verify the practical benefit of the novel acceleration strategy.
Self-supervised Contrastive Representation Learning for Semi-supervised Time-Series Classification
Authors: Emadeldeen Eldele, Mohamed Ragab, Zhenghua Chen, Min Wu, Chee-Keong Kwoh, XiaoLi Li, Cuntai Guan
Date: 2022-08-13 00:00:00
Tasks: Contrastive Learning, Data Augmentation, Linear evaluation, Representation Learning, Self-Supervised Learning, Semi-supervised time series classification, Time Series, Time Series Analysis, Time Series Classification, Transfer Learning

Learning time-series representations when only unlabeled data or few labeled samples are available can be a challenging task. Recently, contrastive self-supervised learning has shown great improvement in extracting useful representations from unlabeled data via contrasting different augmented views of data. In this work, we propose a novel Time-Series representation learning framework via Temporal and Contextual Contrasting (TS-TCC) that learns representations from unlabeled data with contrastive learning. Specifically, we propose time-series specific weak and strong augmentations and use their views to learn robust temporal relations in the proposed temporal contrasting module, besides learning discriminative representations by our proposed contextual contrasting module. Additionally, we conduct a systematic study of time-series data augmentation selection, which is a key part of contrastive learning. We also extend TS-TCC to the semi-supervised learning settings and propose a Class-Aware TS-TCC (CA-TCC) that benefits from the available few labeled data to further improve representations learned by TS-TCC. Specifically, we leverage robust pseudo labels produced by TS-TCC to realize class-aware contrastive loss. Extensive experiments show that the linear evaluation of the features learned by our proposed framework performs comparably with the fully supervised training. Additionally, our framework shows high efficiency in few labeled data and transfer learning scenarios. The code is publicly available at \url{https://github.com/emadeldeen24/CA-TCC}.
Incoporating Weighted Board Learning System for Accurate Occupational Pneumoconiosis Staging
Authors: Kaiguang Yang, Yeping Wang, Qianhao Luo, Xin Liu, Weiling Li
Date: 2022-08-13 00:00:00
Tasks: Classification, image-classification, Image Classification

Occupational pneumoconiosis (OP) staging is a vital task concerning the lung healthy of a subject. The staging result of a patient is depended on the staging standard and his chest X-ray. It is essentially an image classification task. However, the distribution of OP data is commonly imbalanced, which largely reduces the effect of classification models which are proposed under the assumption that data follow a balanced distribution and causes inaccurate staging results. To achieve accurate OP staging, we proposed an OP staging model who is able to handle imbalance data in this work. The proposed model adopts gray level co-occurrence matrix (GLCM) to extract texture feature of chest X-ray and implements classification with a weighted broad learning system (WBLS). Empirical studies on six data cases provided by a hospital indicate that proposed model can perform better OP staging than state-of-the-art classifiers with imbalanced data.
An Adam-adjusting-antennae BAS Algorithm for Refining Latent Factors
Authors: Yuanyi Liu, Jia Chen, Di wu
Date: 2022-08-13 00:00:00

Extracting the latent information in high-dimensional and incomplete matrices is an important and challenging issue. The Latent Factor Analysis (LFA) model can well handle the high-dimensional matrices analysis. Recently, Particle Swarm Optimization (PSO)-incorporated LFA models have been proposed to tune the hyper-parameters adaptively with high efficiency. However, the incorporation of PSO causes the premature problem. To address this issue, we propose a sequential Adam-adjusting-antennae BAS (A2BAS) optimization algorithm, which refines the latent factors obtained by the PSO-incorporated LFA model. The A2BAS algorithm consists of two sub-algorithms. First, we design an improved BAS algorithm which adjusts beetles' antennae and step-size with Adam; Second, we implement the improved BAS algorithm to optimize all the row and column latent factors sequentially. With experimental results on two real high-dimensional matrices, we demonstrate that our algorithm can effectively solve the premature convergence issue.
GEDI: A Graph-based End-to-end Data Imputation Framework
Authors: Katrina Chen, Xiuqin Liang, Zheng Ma, Zhibin Zhang
Date: 2022-08-13 00:00:00
Tasks: Graph structure learning, Imputation, Meta-Learning, Prediction

Data imputation is an effective way to handle missing data, which is common in practical applications. In this study, we propose and test a novel data imputation process that achieve two important goals: (1) preserve the row-wise similarities among observations and column-wise contextual relationships among features in the feature matrix, and (2) tailor the imputation process to specific downstream label prediction task. The proposed imputation process uses Transformer network and graph structure learning to iteratively refine the contextual relationships among features and similarities among observations. Moreover, it uses a meta-learning framework to select features that are influential to the downstream prediction task of interest. We conduct experiments on real-world large data sets, and show that the proposed imputation process consistently improves imputation and label prediction performance over a variety of benchmark methods.
Demo: RhythmEdge: Enabling Contactless Heart Rate Estimation on the Edge
Authors: Zahid Hasan, Emon Dey, Sreenivasan Ramasamy Ramamurthy, Nirmalya Roy, Archan Misra
Date: 2022-08-13 00:00:00
Tasks: Edge-computing, Heart rate estimation

In this demo paper, we design and prototype RhythmEdge, a low-cost, deep-learning-based contact-less system for regular HR monitoring applications. RhythmEdge benefits over existing approaches by facilitating contact-less nature, real-time/offline operation, inexpensive and available sensing components, and computing devices. Our RhythmEdge system is portable and easily deployable for reliable HR estimation in moderately controlled indoor or outdoor environments. RhythmEdge measures HR via detecting changes in blood volume from facial videos (Remote Photoplethysmography; rPPG) and provides instant assessment using off-the-shelf commercially available resource-constrained edge platforms and video cameras. We demonstrate the scalability, flexibility, and compatibility of the RhythmEdge by deploying it on three resource-constrained platforms of differing architectures (NVIDIA Jetson Nano, Google Coral Development Board, Raspberry Pi) and three heterogeneous cameras of differing sensitivity, resolution, properties (web camera, action camera, and DSLR). RhythmEdge further stores longitudinal cardiovascular information and provides instant notification to the users. We thoroughly test the prototype stability, latency, and feasibility for three edge computing platforms by profiling their runtime, memory, and power usage.
A Novel Regularization Approach to Fair ML
Authors: Norman Matloff, Wenxi Zhang
Date: 2022-08-13 00:00:00
Tasks: Fairness

A number of methods have been introduced for the fair ML issue, most of them complex and many of them very specific to the underlying ML moethodology. Here we introduce a new approach that is simple, easily explained, and potentially applicable to a number of standard ML algorithms. Explicitly Deweighted Features (EDF) reduces the impact of each feature among the proxies of sensitive variables, allowing a different amount of deweighting applied to each such feature. The user specifies the deweighting hyperparameters, to achieve a given point in the Utility/Fairness tradeoff spectrum. We also introduce a new, simple criterion for evaluating the degree of protection afforded by any fair ML method.
Double Auctions with Two-sided Bandit Feedback
Date: 2022-08-13 00:00:00
Proceeding: NeurIPS 2023 11

Double Auction enables decentralized transfer of goods between multiple buyers and sellers, thus underpinning functioning of many online marketplaces. Buyers and sellers compete in these markets through bidding, but do not often know their own valuation a-priori. As the allocation and pricing happens through bids, the profitability of participants, hence sustainability of such markets, depends crucially on learning respective valuations through repeated interactions. We initiate the study of Double Auction markets under bandit feedback on both buyers' and sellers' side. We show with confidence bound based bidding, and `Average Pricing' there is an efficient price discovery among the participants. In particular, the regret on combined valuation of the buyers and the sellers -- a.k.a. the social regret -- is $O(\log(T)/\Delta)$ in $T$ rounds, where $\Delta$ is the minimum price gap. Moreover, the buyers and sellers exchanging goods attain $O(\sqrt{T})$ regret, individually. The buyers and sellers who do not benefit from exchange in turn only experience $O(\log{T}/ \Delta)$ regret individually in $T$ rounds. We augment our upper bound by showing that $\omega(\sqrt{T})$ individual regret, and $\omega(\log{T})$ social regret is unattainable in certain Double Auction markets. Our paper is the first to provide decentralized learning algorithms in a two-sided market where \emph{both sides have uncertain preference} that need to be learned.
SNGuess: A method for the selection of young extragalactic transients
Authors: N. Miranda, J. C. Freytag, J. Nordin, R. Biswas, V. Brinnel, C. Fremling, M. Kowalski, A. Mahabal, S. Reusch, J. van Santen
Date: 2022-08-13 00:00:00
Tasks: Astronomy

With a rapidly rising number of transients detected in astronomy, classification methods based on machine learning are increasingly being employed. Their goals are typically to obtain a definitive classification of transients, and for good performance they usually require the presence of a large set of observations. However, well-designed, targeted models can reach their classification goals with fewer computing resources. This paper presents SNGuess, a model designed to find young extragalactic nearby transients with high purity. SNGuess works with a set of features that can be efficiently calculated from astronomical alert data. Some of these features are static and associated with the alert metadata, while others must be calculated from the photometric observations contained in the alert. Most of the features are simple enough to be obtained or to be calculated already at the early stages in the lifetime of a transient after its detection. We calculate these features for a set of labeled public alert data obtained over a time span of 15 months from the Zwicky Transient Facility (ZTF). The core model of SNGuess consists of an ensemble of decision trees, which are trained via gradient boosting. Approximately 88% of the candidates suggested by SNGuess from a set of alerts from ZTF spanning from April 2020 to August 2021 were found to be true relevant supernovae (SNe). For alerts with bright detections, this number ranges between 92% and 98%. Since April 2020, transients identified by SNGuess as potential young SNe in the ZTF alert stream are being published to the Transient Name Server (TNS) under the AMPEL_ZTF_NEW group identifier. SNGuess scores for any transient observed by ZTF can be accessed via a web service. The source code of SNGuess is publicly available.
Three-Player Game Training Dynamics
Authors: Kenneth Christofferson, Fernando J. Yanez
Date: 2022-08-12 00:00:00

This work explores three-player game training dynamics, under what conditions three-player games converge and the equilibria the converge on. In contrast to prior work, we examine a three-player game architecture in which all players explicitly interact with each other. Prior work analyzes games in which two of three agents interact with only one other player, constituting dual two-player games. We explore three-player game training dynamics using an extended version of a simplified bilinear smooth game, called a simplified trilinear smooth game. We find that trilinear games do not converge on the Nash equilibrium in most cases, rather converging on a fixed point which is optimal for two players, but not for the third. Further, we explore how the order of the updates influences convergence. In addition to alternating and simultaneous updates, we explore a new update order--maximizer-first--which is only possible in a three-player game. We find that three-player games can converge on a Nash equilibrium using maximizer-first updates. Finally, we experiment with differing momentum values for each player in a trilinear smooth game under all three update orders and show that maximizer-first updates achieve more optimal results in a larger set of player-specific momentum value triads than other update orders.
Representation learning for a generalized, quantitative comparison of complex model outputs
Authors: Colin G. Cess, Stacey D. Finley
Date: 2022-08-12 00:00:00
Tasks: Representation Learning

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs increases, it becomes increasingly difficult to compare simulations to each other. While it is straightforward to only compare a few specific model outputs across multiple simulations, additional useful information can come from comparing model simulations as a whole. However, it is difficult to holistically compare model simulations in an unbiased manner. To address these limitations, we use representation learning to transform model simulations into low-dimensional points, with the neural networks capturing the relationships between the model outputs without the need to manually specify which outputs to focus on. The distance in low-dimensional space acts as a comparison metric, reducing the difference between simulations to a single value. We provide an approach to training neural networks on model simulations and display how the trained networks can then be used to provide a holistic comparison of model outputs. This approach can be applied to a wide range of model types, providing a quantitative method of analyzing the complex outputs of computational models.
Orthogonal Gated Recurrent Unit with Neumann-Cayley Transformation
Authors: Edison Mucllari, Vasily Zadorozhnyy, Cole Pospisil, Duc Nguyen, Qiang Ye
Date: 2022-08-12 00:00:00

In recent years, using orthogonal matrices has been shown to be a promising approach in improving Recurrent Neural Networks (RNNs) with training, stability, and convergence, particularly, to control gradients. While Gated Recurrent Unit (GRU) and Long Short Term Memory (LSTM) architectures address the vanishing gradient problem by using a variety of gates and memory cells, they are still prone to the exploding gradient problem. In this work, we analyze the gradients in GRU and propose the usage of orthogonal matrices to prevent exploding gradient problems and enhance long-term memory. We study where to use orthogonal matrices and we propose a Neumann series-based Scaled Cayley transformation for training orthogonal matrices in GRU, which we call Neumann-Cayley Orthogonal GRU, or simply NC-GRU. We present detailed experiments of our model on several synthetic and real-world tasks, which show that NC-GRU significantly outperforms GRU as well as several other RNNs.
LM-CORE: Language Models with Contextually Relevant External Knowledge
Authors: Jivat Neet Kaur, Sumit Bhatia, Milan Aggarwal, Rachit Bansal, Balaji Krishnamurthy
Date: 2022-08-12 00:00:00
Proceeding: Findings (NAACL) 2022 7
Tasks: Knowledge Probing, Language Modeling, Language Modelling

Large transformer-based pre-trained language models have achieved impressive performance on a variety of knowledge-intensive tasks and can capture factual knowledge in their parameters. We argue that storing large amounts of knowledge in the model parameters is sub-optimal given the ever-growing amounts of knowledge and resource requirements. We posit that a more efficient alternative is to provide explicit access to contextually relevant structured knowledge to the model and train it to use that knowledge. We present LM-CORE -- a general framework to achieve this -- that allows \textit{decoupling} of the language model training from the external knowledge source and allows the latter to be updated without affecting the already trained model. Experimental results show that LM-CORE, having access to external knowledge, achieves significant and robust outperformance over state-of-the-art knowledge-enhanced language models on knowledge probing tasks; can effectively handle knowledge updates; and performs well on two downstream tasks. We also present a thorough error analysis highlighting the successes and failures of LM-CORE.