pwc-archive/papers-with-abstracts huggingface dataset:
Detecting Anomalies in Blockchain Transactions using Machine Learning Classifiers and Explainability Analysis
Authors: Mohammad Hasan, Mohammad Shahriar Rahman, Helge Janicke, Iqbal H. Sarker
Date: 2024-01-07 00:00:00
Tasks: Anomaly Detection, Explainable artificial intelligence, Explainable Artificial Intelligence (XAI)

As the use of Blockchain for digital payments continues to rise in popularity, it also becomes susceptible to various malicious attacks. Successfully detecting anomalies within Blockchain transactions is essential for bolstering trust in digital payments. However, the task of anomaly detection in Blockchain transaction data is challenging due to the infrequent occurrence of illicit transactions. Although several studies have been conducted in the field, a limitation persists: the lack of explanations for the model's predictions. This study seeks to overcome this limitation by integrating eXplainable Artificial Intelligence (XAI) techniques and anomaly rules into tree-based ensemble classifiers for detecting anomalous Bitcoin transactions. The Shapley Additive exPlanation (SHAP) method is employed to measure the contribution of each feature, and it is compatible with ensemble models. Moreover, we present rules for interpreting whether a Bitcoin transaction is anomalous or not. Additionally, we have introduced an under-sampling algorithm named XGBCLUS, designed to balance anomalous and non-anomalous transaction data. This algorithm is compared against other commonly used under-sampling and over-sampling techniques. Finally, the outcomes of various tree-based single classifiers are compared with those of stacking and voting ensemble classifiers. Our experimental results demonstrate that: (i) XGBCLUS enhances TPR and ROC-AUC scores compared to state-of-the-art under-sampling and over-sampling techniques, and (ii) our proposed ensemble classifiers outperform traditional single tree-based machine learning classifiers in terms of accuracy, TPR, and FPR scores.
RoBERTurk: Adjusting RoBERTa for Turkish
Authors: Nuri Tas
Date: 2024-01-07 00:00:00
Tasks: NER, POS

We pretrain RoBERTa on a Turkish corpora using BPE tokenizer. Our model outperforms BERTurk family models on the BOUN dataset for the POS task while resulting in underperformance on the IMST dataset for the same task and achieving competitive scores on the Turkish split of the XTREME dataset for the NER task - all while being pretrained on smaller data than its competitors. We release our pretrained model and tokenizer.
DiarizationLM: Speaker Diarization Post-Processing with Large Language Models
Authors: Quan Wang, Yiling Huang, Guanlong Zhao, Evan Clark, Wei Xia, Hank Liao
Date: 2024-01-07 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), speaker-diarization, Speaker Diarization, speech-recognition, Speech Recognition

In this paper, we introduce DiarizationLM, a framework to leverage large language models (LLM) to post-process the outputs from a speaker diarization system. Various goals can be achieved with the proposed framework, such as improving the readability of the diarized transcript, or reducing the word diarization error rate (WDER). In this framework, the outputs of the automatic speech recognition (ASR) and speaker diarization systems are represented as a compact textual format, which is included in the prompt to an optionally finetuned LLM. The outputs of the LLM can be used as the refined diarization results with the desired enhancement. As a post-processing step, this framework can be easily applied to any off-the-shelf ASR and speaker diarization systems without retraining existing components. Our experiments show that a finetuned PaLM 2-S model can reduce the WDER by rel. 55.5% on the Fisher telephone conversation dataset, and rel. 44.9% on the Callhome English dataset.
Pre-insertion resistors temperature prediction based on improved WOA-SVR
Authors: Honghe Dai, Site Mo, Haoxin Wang, Nan Yin, Songhai Fan, Bixiong Li
Date: 2024-01-07 00:00:00

The pre-insertion resistors (PIR) within high-voltage circuit breakers are critical components and warm up by generating Joule heat when an electric current flows through them. Elevated temperature can lead to temporary closure failure and, in severe cases, the rupture of PIR. To accurately predict the temperature of PIR, this study combines finite element simulation techniques with Support Vector Regression (SVR) optimized by an Improved Whale Optimization Algorithm (IWOA) approach. The IWOA includes Tent mapping, a convergence factor based on the sigmoid function, and the Ornstein-Uhlenbeck variation strategy. The IWOA-SVR model is compared with the SSA-SVR and WOA-SVR. The results reveal that the prediction accuracies of the IWOA-SVR model were 90.2% and 81.5% (above 100$^\circ$C) in the 3$^\circ$C temperature deviation range and 96.3% and 93.4% (above 100$^\circ$C) in the 4$^\circ$C temperature deviation range, surpassing the performance of the comparative models. This research demonstrates the method proposed can realize the online monitoring of the temperature of the PIR, which can effectively prevent thermal faults PIR and provide a basis for the opening and closing of the circuit breaker within a short period.
A Gaussian Process Framework for Solving Forward and Inverse Problems Involving Nonlinear Partial Differential Equations
Authors: Carlos Mora, Amin Yousefpour, Shirin Hosseinmardi, Ramin Bostanabad
Date: 2024-01-07 00:00:00
Tasks: Physics-informed machine learning

Physics-informed machine learning (PIML) has emerged as a promising alternative to conventional numerical methods for solving partial differential equations (PDEs). PIML models are increasingly built via deep neural networks (NNs) whose architecture and training process are designed such that the network satisfies the PDE system. While such PIML models have substantially advanced over the past few years, their performance is still very sensitive to the NN's architecture and loss function. Motivated by this limitation, we introduce kernel-weighted Corrective Residuals (CoRes) to integrate the strengths of kernel methods and deep NNs for solving nonlinear PDE systems. To achieve this integration, we design a modular and robust framework which consistently outperforms competing methods in solving a broad range of benchmark problems. This performance improvement has a theoretical justification and is particularly attractive since we simplify the training process while negligibly increasing the inference costs. Additionally, our studies on solving multiple PDEs indicate that kernel-weighted CoRes considerably decrease the sensitivity of NNs to factors such as random initialization, architecture type, and choice of optimizer. We believe our findings have the potential to spark a renewed interest in leveraging kernel methods for solving PDEs.
Data-Driven Subsampling in the Presence of an Adversarial Actor
Authors: Abu Shafin Mohammad Mahdee Jameel, Ahmed P. Mohamed, Jinho Yi, Aly El Gamal, Akshay Malhotra
Date: 2024-01-07 00:00:00
Tasks: Adversarial Attack, Adversarial Robustness, Deep Learning

Deep learning based automatic modulation classification (AMC) has received significant attention owing to its potential applications in both military and civilian use cases. Recently, data-driven subsampling techniques have been utilized to overcome the challenges associated with computational complexity and training time for AMC. Beyond these direct advantages of data-driven subsampling, these methods also have regularizing properties that may improve the adversarial robustness of the modulation classifier. In this paper, we investigate the effects of an adversarial attack on an AMC system that employs deep learning models both for AMC and for subsampling. Our analysis shows that subsampling itself is an effective deterrent to adversarial attacks. We also uncover the most efficient subsampling strategy when an adversarial attack on both the classifier and the subsampler is anticipated.
Uncertainty Quantification on Clinical Trial Outcome Prediction
Authors: Tianyi Chen, Yingzhou Lu, Nan Hao, Yuanyuan Zhang, Capucine van Rechem, Jintai Chen, Tianfan Fu
Date: 2024-01-07 00:00:00
Tasks: Decision Making, Drug Discovery, Medical Diagnosis, Prediction, Uncertainty Quantification

The importance of uncertainty quantification is increasingly recognized in the diverse field of machine learning. Accurately assessing model prediction uncertainty can help provide deeper understanding and confidence for researchers and practitioners. This is especially critical in medical diagnosis and drug discovery areas, where reliable predictions directly impact research quality and patient health. In this paper, we proposed incorporating uncertainty quantification into clinical trial outcome predictions. Our main goal is to enhance the model's ability to discern nuanced differences, thereby significantly improving its overall performance. We have adopted a selective classification approach to fulfill our objective, integrating it seamlessly with the Hierarchical Interaction Network (HINT), which is at the forefront of clinical trial prediction modeling. Selective classification, encompassing a spectrum of methods for uncertainty quantification, empowers the model to withhold decision-making in the face of samples marked by ambiguity or low confidence, thereby amplifying the accuracy of predictions for the instances it chooses to classify. A series of comprehensive experiments demonstrate that incorporating selective classification into clinical trial predictions markedly enhances the model's performance, as evidenced by significant upticks in pivotal metrics such as PR-AUC, F1, ROC-AUC, and overall accuracy. Specifically, the proposed method achieved 32.37\%, 21.43\%, and 13.27\% relative improvement on PR-AUC over the base model (HINT) in phase I, II, and III trial outcome prediction, respectively. When predicting phase III, our method reaches 0.9022 PR-AUC scores. These findings illustrate the robustness and prospective utility of this strategy within the area of clinical trial predictions, potentially setting a new benchmark in the field.
Optimization Over Trained Neural Networks: Taking a Relaxing Walk
Authors: Jiatai Tong, Junyang Cai, Thiago Serra
Date: 2024-01-07 00:00:00

Besides training, mathematical optimization is also used in deep learning to model and solve formulations over trained neural networks for purposes such as verification, compression, and optimization with learned constraints. However, solving these formulations soon becomes difficult as the network size grows due to the weak linear relaxation and dense constraint matrix. We have seen improvements in recent years with cutting plane algorithms, reformulations, and an heuristic based on Mixed-Integer Linear Programming (MILP). In this work, we propose a more scalable heuristic based on exploring global and local linear relaxations of the neural network model. Our heuristic is competitive with a state-of-the-art MILP solver and the prior heuristic while producing better solutions with increases in input, depth, and number of neurons.
Global Prediction of COVID-19 Variant Emergence Using Dynamics-Informed Graph Neural Networks
Authors: Majd Al Aawar, Srikar Mutnuri, Mansooreh Montazerin, Ajitesh Srivastava
Date: 2024-01-07 00:00:00
Tasks: Benchmarking, Graph Neural Network

During the COVID-19 pandemic, a major driver of new surges has been the emergence of new variants. When a new variant emerges in one or more countries, other nations monitor its spread in preparation for its potential arrival. The impact of the new variant and the timings of epidemic peaks in a country highly depend on when the variant arrives. The current methods for predicting the spread of new variants rely on statistical modeling, however, these methods work only when the new variant has already arrived in the region of interest and has a significant prevalence. Can we predict when a variant existing elsewhere will arrive in a given region? To address this question, we propose a variant-dynamics-informed Graph Neural Network (GNN) approach. First, we derive the dynamics of variant prevalence across pairs of regions (countries) that apply to a large class of epidemic models. The dynamics motivate the introduction of certain features in the GNN. We demonstrate that our proposed dynamics-informed GNN outperforms all the baselines, including the currently pervasive framework of Physics-Informed Neural Networks (PINNs). To advance research in this area, we introduce a benchmarking tool to assess a user-defined model's prediction performance across 87 countries and 36 variants.
LLMs for Robotic Object Disambiguation
Authors: Connie Jiang, Yiqing Xu, David Hsu
Date: 2024-01-07 00:00:00
Tasks: Decision Making, Navigate, Object, Prompt Engineering

The advantages of pre-trained large language models (LLMs) are apparent in a variety of language processing tasks. But can a language model's knowledge be further harnessed to effectively disambiguate objects and navigate decision-making challenges within the realm of robotics? Our study reveals the LLM's aptitude for solving complex decision making challenges that are often previously modeled by Partially Observable Markov Decision Processes (POMDPs). A pivotal focus of our research is the object disambiguation capability of LLMs. We detail the integration of an LLM into a tabletop environment disambiguation task, a decision making problem where the robot's task is to discern and retrieve a user's desired object from an arbitrarily large and complex cluster of objects. Despite multiple query attempts with zero-shot prompt engineering (details can be found in the Appendix), the LLM struggled to inquire about features not explicitly provided in the scene description. In response, we have developed a few-shot prompt engineering system to improve the LLM's ability to pose disambiguating queries. The result is a model capable of both using given features when they are available and inferring new relevant features when necessary, to successfully generate and navigate down a precise decision tree to the correct object--even when faced with identical options.
Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
Authors: Zeyu Wang, Tianyi Jiang, Jinhuan Wang, Qi Xuan
Date: 2024-01-07 00:00:00
Tasks: Data Augmentation, Drug Discovery, Molecular Property Prediction, molecular representation, Prediction, Property Prediction, Representation Learning

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep learning-based molecular property prediction has emerged as a solution to the resource-intensive nature of traditional methods, garnering significant attention. Among them, molecular representation learning is the key factor for molecular property prediction performance. And there are lots of sequence-based, graph-based, and geometry-based methods that have been proposed. However, the majority of existing studies focus solely on one modality for learning molecular representations, failing to comprehensively capture molecular characteristics and information. In this paper, a novel multi-modal representation learning model, which integrates the sequence, graph, and geometry characteristics, is proposed for molecular property prediction, called SGGRL. Specifically, we design a fusion layer to fusion the representation of different modalities. Furthermore, to ensure consistency across modalities, SGGRL is trained to maximize the similarity of representations for the same molecule while minimizing similarity for different molecules. To verify the effectiveness of SGGRL, seven molecular datasets, and several baselines are used for evaluation and comparison. The experimental results demonstrate that SGGRL consistently outperforms the baselines in most cases. This further underscores the capability of SGGRL to comprehensively capture molecular information. Overall, the proposed SGGRL model showcases its potential to revolutionize molecular property prediction by leveraging multi-modal representation learning to extract diverse and comprehensive molecular insights. Our code is released at https://github.com/Vencent-Won/SGGRL.
In-Database Data Imputation
Authors: Massimo Perini, Milos Nikolic
Date: 2024-01-07 00:00:00
Tasks: Decision Making, Imputation

Missing data is a widespread problem in many domains, creating challenges in data analysis and decision making. Traditional techniques for dealing with missing data, such as excluding incomplete records or imputing simple estimates (e.g., mean), are computationally efficient but may introduce bias and disrupt variable relationships, leading to inaccurate analyses. Model-based imputation techniques offer a more robust solution that preserves the variability and relationships in the data, but they demand significantly more computation time, limiting their applicability to small datasets. This work enables efficient, high-quality, and scalable data imputation within a database system using the widely used MICE method. We adapt this method to exploit computation sharing and a ring abstraction for faster model training. To impute both continuous and categorical values, we develop techniques for in-database learning of stochastic linear regression and Gaussian discriminant analysis models. Our MICE implementations in PostgreSQL and DuckDB outperform alternative MICE implementations and model-based imputation techniques by up to two orders of magnitude in terms of computation time, while maintaining high imputation quality.
Accurate and Scalable Estimation of Epistemic Uncertainty for Graph Neural Networks
Authors: Puja Trivedi, Mark Heimann, Rushil Anirudh, Danai Koutra, Jayaraman J. Thiagarajan
Date: 2024-01-07 00:00:00
Tasks: Graph Classification, Graph Representation Learning, Out-of-Distribution Detection, Representation Learning

While graph neural networks (GNNs) are widely used for node and graph representation learning tasks, the reliability of GNN uncertainty estimates under distribution shifts remains relatively under-explored. Indeed, while post-hoc calibration strategies can be used to improve in-distribution calibration, they need not also improve calibration under distribution shift. However, techniques which produce GNNs with better intrinsic uncertainty estimates are particularly valuable, as they can always be combined with post-hoc strategies later. Therefore, in this work, we propose G-$\Delta$UQ, a novel training framework designed to improve intrinsic GNN uncertainty estimates. Our framework adapts the principle of stochastic data centering to graph data through novel graph anchoring strategies, and is able to support partially stochastic GNNs. While, the prevalent wisdom is that fully stochastic networks are necessary to obtain reliable estimates, we find that the functional diversity induced by our anchoring strategies when sampling hypotheses renders this unnecessary and allows us to support G-$\Delta$UQ on pretrained models. Indeed, through extensive evaluation under covariate, concept and graph size shifts, we show that G-$\Delta$UQ leads to better calibrated GNNs for node and graph classification. Further, it also improves performance on the uncertainty-based tasks of out-of-distribution detection and generalization gap estimation. Overall, our work provides insights into uncertainty estimation for GNNs, and demonstrates the utility of G-$\Delta$UQ in obtaining reliable estimates.
Weakly Augmented Variational Autoencoder in Time Series Anomaly Detection
Authors: Zhangkai Wu, Longbing Cao, Qi Zhang, Junxian Zhou, Hui Chen
Date: 2024-01-07 00:00:00
Tasks: Anomaly Detection, Self-Supervised Learning, Time Series, Time Series Anomaly Detection

Due to their unsupervised training and uncertainty estimation, deep Variational Autoencoders (VAEs) have become powerful tools for reconstruction-based Time Series Anomaly Detection (TSAD). Existing VAE-based TSAD methods, either statistical or deep, tune meta-priors to estimate the likelihood probability for effectively capturing spatiotemporal dependencies in the data. However, these methods confront the challenge of inherent data scarcity, which is often the case in anomaly detection tasks. Such scarcity easily leads to latent holes, discontinuous regions in latent space, resulting in non-robust reconstructions on these discontinuous spaces. We propose a novel generative framework that combines VAEs with self-supervised learning (SSL) to address this issue.
A deep learning framework for jointly extracting spectra and source-count distributions in astronomy
Authors: Florian Wolf, Florian List, Nicholas L. Rodd, Oliver Hahn
Date: 2024-01-06 00:00:00
Tasks: Astronomy

Astronomical observations typically provide three-dimensional maps, encoding the distribution of the observed flux in (1) the two angles of the celestial sphere and (2) energy/frequency. An important task regarding such maps is to statistically characterize populations of point sources too dim to be individually detected. As the properties of a single dim source will be poorly constrained, instead one commonly studies the population as a whole, inferring a source-count distribution (SCD) that describes the number density of sources as a function of their brightness. Statistical and machine learning methods for recovering SCDs exist; however, they typically entirely neglect spectral information associated with the energy distribution of the flux. We present a deep learning framework able to jointly reconstruct the spectra of different emission components and the SCD of point-source populations. In a proof-of-concept example, we show that our method accurately extracts even complex-shaped spectra and SCDs from simulated maps.
On Sample-Efficient Offline Reinforcement Learning: Data Diversity, Posterior Sampling, and Beyond
Authors: Thanh Nguyen-Tang, Raman Arora
Date: 2024-01-06 00:00:00
Tasks: Decision Making, Diversity, Offline RL, Reinforcement Learning (RL), Sequential Decision Making

We seek to understand what facilitates sample-efficient learning from historical datasets for sequential decision-making, a problem that is popularly known as offline reinforcement learning (RL). Further, we are interested in algorithms that enjoy sample efficiency while leveraging (value) function approximation. In this paper, we address these fundamental questions by (i) proposing a notion of data diversity that subsumes the previous notions of coverage measures in offline RL and (ii) using this notion to {unify} three distinct classes of offline RL algorithms based on version spaces (VS), regularized optimization (RO), and posterior sampling (PS). We establish that VS-based, RO-based, and PS-based algorithms, under standard assumptions, achieve \emph{comparable} sample efficiency, which recovers the state-of-the-art sub-optimality bounds for finite and linear model classes with the standard assumptions. This result is surprising, given that the prior work suggested an unfavorable sample complexity of the RO-based algorithm compared to the VS-based algorithm, whereas posterior sampling is rarely considered in offline RL due to its explorative nature. Notably, our proposed model-free PS-based algorithm for offline RL is {novel}, with sub-optimality bounds that are {frequentist} (i.e., worst-case) in nature.