pwc-archive/papers-with-abstracts huggingface dataset:
Calibrated Selective Classification
Authors: Adam Fisch, Tommi Jaakkola, Regina Barzilay
Date: 2022-08-25 00:00:00
Tasks: Classification, image-classification, Image Classification

Selective classification allows models to abstain from making predictions (e.g., say "I don't know") when in doubt in order to obtain better effective accuracy. While typical selective models can be effective at producing more accurate predictions on average, they may still allow for wrong predictions that have high confidence, or skip correct predictions that have low confidence. Providing calibrated uncertainty estimates alongside predictions -- probabilities that correspond to true frequencies -- can be as important as having predictions that are simply accurate on average. However, uncertainty estimates can be unreliable for certain inputs. In this paper, we develop a new approach to selective classification in which we propose a method for rejecting examples with "uncertain" uncertainties. By doing so, we aim to make predictions with {well-calibrated} uncertainty estimates over the distribution of accepted examples, a property we call selective calibration. We present a framework for learning selectively calibrated models, where a separate selector network is trained to improve the selective calibration error of a given base model. In particular, our work focuses on achieving robust calibration, where the model is intentionally designed to be tested on out-of-domain data. We achieve this through a training strategy inspired by distributionally robust optimization, in which we apply simulated input perturbations to the known, in-domain training data. We demonstrate the empirical effectiveness of our approach on multiple image classification and lung cancer risk assessment tasks.
Assesment of material layers in building walls using GeoRadar
Authors: Ildar Gilmutdinov, Ingrid Schloegel, Alois Hinterleitner, Peter Wonka, Michael Wimmer
Date: 2022-08-25 00:00:00
Tasks: GPR

Assessing the structure of a building with non-invasive methods is an important problem. One of the possible approaches is to use GeoRadar to examine wall structures by analyzing the data obtained from the scans. We propose a data-driven approach to evaluate the material composition of a wall from its GPR radargrams. In order to generate training data, we use gprMax to model the scanning process. Using simulation data, we use a convolutional neural network to predict the thicknesses and dielectric properties of walls per layer. We evaluate the generalization abilities of the trained model on data collected from real buildings.
Efficient Truncated Linear Regression with Unknown Noise Variance
Authors: Constantinos Daskalakis, Patroklos Stefanou, Rui Yao, Manolis Zampetakis
Date: 2022-08-25 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: regression

Truncated linear regression is a classical challenge in Statistics, wherein a label, $y = w^T x + \varepsilon$, and its corresponding feature vector, $x \in \mathbb{R}^k$, are only observed if the label falls in some subset $S \subseteq \mathbb{R}$; otherwise the existence of the pair $(x, y)$ is hidden from observation. Linear regression with truncated observations has remained a challenge, in its general form, since the early works of~\citet{tobin1958estimation,amemiya1973regression}. When the distribution of the error is normal with known variance, recent work of~\citet{daskalakis2019truncatedregression} provides computationally and statistically efficient estimators of the linear model, $w$. In this paper, we provide the first computationally and statistically efficient estimators for truncated linear regression when the noise variance is unknown, estimating both the linear model and the variance of the noise. Our estimator is based on an efficient implementation of Projected Stochastic Gradient Descent on the negative log-likelihood of the truncated sample. Importantly, we show that the error of our estimates is asymptotically normal, and we use this to provide explicit confidence regions for our estimates.
On confidence intervals for precision matrices and the eigendecomposition of covariance matrices
Authors: Teodora Popordanoska, Aleksei Tiulpin, Wacha Bounliphone, Matthew B. Blaschko
Date: 2022-08-25 00:00:00
Tasks: Topic Models

The eigendecomposition of a matrix is the central procedure in probabilistic models based on matrix factorization, for instance principal component analysis and topic models. Quantifying the uncertainty of such a decomposition based on a finite sample estimate is essential to reasoning under uncertainty when employing such models. This paper tackles the challenge of computing confidence bounds on the individual entries of eigenvectors of a covariance matrix of fixed dimension. Moreover, we derive a method to bound the entries of the inverse covariance matrix, the so-called precision matrix. The assumptions behind our method are minimal and require that the covariance matrix exists, and its empirical estimator converges to the true covariance. We make use of the theory of U-statistics to bound the $L_2$ perturbation of the empirical covariance matrix. From this result, we obtain bounds on the eigenvectors using Weyl's theorem and the eigenvalue-eigenvector identity and we derive confidence intervals on the entries of the precision matrix using matrix inversion perturbation bounds. As an application of these results, we demonstrate a new statistical test, which allows us to test for non-zero values of the precision matrix. We compare this test to the well-known Fisher-z test for partial correlations, and demonstrate the soundness and scalability of the proposed statistical test, as well as its application to real-world data from medical and physics domains.
Data Augmentation for Graph Data: Recent Advancements
Authors: Maria Marrium, Arif Mahmood
Date: 2022-08-25 00:00:00
Tasks: Data Augmentation, Graph Neural Network, Survey

Graph Neural Network (GNNs) based methods have recently become a popular tool to deal with graph data because of their ability to incorporate structural information. The only hurdle in the performance of GNNs is the lack of labeled data. Data Augmentation techniques for images and text data can not be used for graph data because of the complex and non-euclidean structure of graph data. This gap has forced researchers to shift their focus towards the development of data augmentation techniques for graph data. Most of the proposed Graph Data Augmentation (GDA) techniques are task-specific. In this paper, we survey the existing GDA techniques based on different graph tasks. This survey not only provides a reference to the research community of GDA but also provides the necessary information to the researchers of other domains.
Domain-informed graph neural networks: a quantum chemistry case study
Authors: Jay Morgan, Adeline Paiement, Christian Klinke
Date: 2022-08-25 00:00:00

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules and crystals) represented as graphs. We integrate two elements of domain knowledge into the design of the GNN to constrain and regularise its learning, towards higher accuracy and generalisation. First, knowledge on the existence of different types of relations (chemical bonds) between atoms is used to modulate the interaction of nodes in the GNN. Second, knowledge of the relevance of some physical quantities is used to constrain the learnt features towards a higher physical relevance using a simple multi-task paradigm. We demonstrate the general applicability of our knowledge integrations by applying them to two architectures that rely on different mechanisms to propagate information between nodes and to update node states.
A simplified convergence theory for Byzantine resilient stochastic gradient descent
Authors: Lindon Roberts, Edward Smyth
Date: 2022-08-25 00:00:00

In distributed learning, a central server trains a model according to updates provided by nodes holding local data samples. In the presence of one or more malicious servers sending incorrect information (a Byzantine adversary), standard algorithms for model training such as stochastic gradient descent (SGD) fail to converge. In this paper, we present a simplified convergence theory for the generic Byzantine Resilient SGD method originally proposed by Blanchard et al. [NeurIPS 2017]. Compared to the existing analysis, we shown convergence to a stationary point in expectation under standard assumptions on the (possibly nonconvex) objective function and flexible assumptions on the stochastic gradients.
Learning Rate Perturbation: A Generic Plugin of Learning Rate Schedule towards Flatter Local Minima
Authors: Hengyu Liu, Qiang Fu, Lun Du, Tiancheng Zhang, Ge Yu, Shi Han, Dongmei Zhang
Date: 2022-08-25 00:00:00

Learning rate is one of the most important hyper-parameters that has a significant influence on neural network training. Learning rate schedules are widely used in real practice to adjust the learning rate according to pre-defined schedules for fast convergence and good generalization. However, existing learning rate schedules are all heuristic algorithms and lack theoretical support. Therefore, people usually choose the learning rate schedules through multiple ad-hoc trials, and the obtained learning rate schedules are sub-optimal. To boost the performance of the obtained sub-optimal learning rate schedule, we propose a generic learning rate schedule plugin, called LEArning Rate Perturbation (LEAP), which can be applied to various learning rate schedules to improve the model training by introducing a certain perturbation to the learning rate. We found that, with such a simple yet effective strategy, training processing exponentially favors flat minima rather than sharp minima with guaranteed convergence, which leads to better generalization ability. In addition, we conduct extensive experiments which show that training with LEAP can improve the performance of various deep learning models on diverse datasets using various learning rate schedules (including constant learning rate).
Deep Learning-based approaches for automatic detection of shell nouns and evaluation on WikiText-2
Authors: Chengdong Yao, Cuihua Wang
Date: 2022-08-25 00:00:00
Tasks: Articles, Deep Learning

In some areas, such as Cognitive Linguistics, researchers are still using traditional techniques based on manual rules and patterns. Since the definition of shell noun is rather subjective and there are many exceptions, this time-consuming work had to be done by hand in the past when Deep Learning techniques were not mature enough. With the increasing number of networked languages, these rules are becoming less useful. However, there is a better alternative now. With the development of Deep Learning, pre-trained language models have provided a good technical basis for Natural Language Processing. Automated processes based on Deep Learning approaches are more in line with modern needs. This paper collaborates across borders to propose two Neural Network models for the automatic detection of shell nouns and experiment on the WikiText-2 dataset. The proposed approaches not only allow the entire process to be automated, but the precision has reached 94% even on completely unseen articles, comparable to that of human annotators. This shows that the performance and generalization ability of the model is good enough to be used for research purposes. Many new nouns are found that fit the definition of shell noun very well. All discovered shell nouns as well as pre-trained models and code are available on GitHub.
NeuralUQ: A comprehensive library for uncertainty quantification in neural differential equations and operators
Authors: Zongren Zou, Xuhui Meng, Apostolos F Psaros, George Em Karniadakis
Date: 2022-08-25 00:00:00
Tasks: Uncertainty Quantification

Uncertainty quantification (UQ) in machine learning is currently drawing increasing research interest, driven by the rapid deployment of deep neural networks across different fields, such as computer vision, natural language processing, and the need for reliable tools in risk-sensitive applications. Recently, various machine learning models have also been developed to tackle problems in the field of scientific computing with applications to computational science and engineering (CSE). Physics-informed neural networks and deep operator networks are two such models for solving partial differential equations and learning operator mappings, respectively. In this regard, a comprehensive study of UQ methods tailored specifically for scientific machine learning (SciML) models has been provided in [45]. Nevertheless, and despite their theoretical merit, implementations of these methods are not straightforward, especially in large-scale CSE applications, hindering their broad adoption in both research and industry settings. In this paper, we present an open-source Python library (https://github.com/Crunch-UQ4MI), termed NeuralUQ and accompanied by an educational tutorial, for employing UQ methods for SciML in a convenient and structured manner. The library, designed for both educational and research purposes, supports multiple modern UQ methods and SciML models. It is based on a succinct workflow and facilitates flexible employment and easy extensions by the users. We first present a tutorial of NeuralUQ and subsequently demonstrate its applicability and efficiency in four diverse examples, involving dynamical systems and high-dimensional parametric and time-dependent PDEs.
Shortcut Learning of Large Language Models in Natural Language Understanding
Authors: Mengnan Du, Fengxiang He, Na Zou, DaCheng Tao, Xia Hu
Date: 2022-08-25 00:00:00
Tasks: Adversarial Robustness, Natural Language Understanding

Large language models (LLMs) have achieved state-of-the-art performance on a series of natural language understanding tasks. However, these LLMs might rely on dataset bias and artifacts as shortcuts for prediction. This has significantly affected their generalizability and adversarial robustness. In this paper, we provide a review of recent developments that address the shortcut learning and robustness challenge of LLMs. We first introduce the concepts of shortcut learning of language models. We then introduce methods to identify shortcut learning behavior in language models, characterize the reasons for shortcut learning, as well as introduce mitigation solutions. Finally, we discuss key research challenges and potential research directions in order to advance the field of LLMs.
An Empirical Analysis of the Efficacy of Different Sampling Techniques for Imbalanced Classification
Authors: Asif Newaz, Shahriar Hassan, Farhan Shahriyar Haq
Date: 2022-08-25 00:00:00
Tasks: imbalanced classification

Learning from imbalanced data is a challenging task. Standard classification algorithms tend to perform poorly when trained on imbalanced data. Some special strategies need to be adopted, either by modifying the data distribution or by redesigning the underlying classification algorithm to achieve desirable performance. The prevalence of imbalance in real-world datasets has led to the creation of a multitude of strategies for the class imbalance issue. However, not all the strategies are useful or provide good performance in different imbalance scenarios. There are numerous approaches to dealing with imbalanced data, but the efficacy of such techniques or an experimental comparison among those techniques has not been conducted. In this study, we present a comprehensive analysis of 26 popular sampling techniques to understand their effectiveness in dealing with imbalanced data. Rigorous experiments have been conducted on 50 datasets with different degrees of imbalance to thoroughly investigate the performance of these techniques. A detailed discussion of the advantages and limitations of the techniques, as well as how to overcome such limitations, has been presented. We identify some critical factors that affect the sampling strategies and provide recommendations on how to choose an appropriate sampling technique for a particular application.
A Survey of Open Source Automation Tools for Data Science Predictions
Authors: Nicholas Hoell
Date: 2022-08-24 00:00:00

We present an expository overview of technical and cultural challenges to the development and adoption of automation at various stages in the data science prediction lifecycle, restricting focus to supervised learning with structured datasets. In addition, we review popular open source Python tools implementing common solution patterns for the automation challenges and highlight gaps where we feel progress still demands to be made.
Maximum Likelihood on the Joint (Data, Condition) Distribution for Solving Ill-Posed Problems with Conditional Flow Models
Authors: John S. Hyatt
Date: 2022-08-24 00:00:00
Tasks: Super-Resolution

I describe a trick for training flow models using a prescribed rule as a surrogate for maximum likelihood. The utility of this trick is limited for non-conditional models, but an extension of the approach, applied to maximum likelihood of the joint probability distribution of data and conditioning information, can be used to train sophisticated \textit{conditional} flow models. Unlike previous approaches, this method is quite simple: it does not require explicit knowledge of the distribution of conditions, auxiliary networks or other specific architecture, or additional loss terms beyond maximum likelihood, and it preserves the correspondence between latent and data spaces. The resulting models have all the properties of non-conditional flow models, are robust to unexpected inputs, and can predict the distribution of solutions conditioned on a given input. They come with guarantees of prediction representativeness and are a natural and powerful way to solve highly uncertain problems. I demonstrate these properties on easily visualized toy problems, then use the method to successfully generate class-conditional images and to reconstruct highly degraded images via super-resolution.
Entropy Regularization for Population Estimation
Authors: Ben Chugg, Peter Henderson, Jacob Goldin, Daniel E. Ho
Date: 2022-08-24 00:00:00
Tasks: Decision Making, Sequential Decision Making

Entropy regularization is known to improve exploration in sequential decision-making problems. We show that this same mechanism can also lead to nearly unbiased and lower-variance estimates of the mean reward in the optimize-and-estimate structured bandit setting. Mean reward estimation (i.e., population estimation) tasks have recently been shown to be essential for public policy settings where legal constraints often require precise estimates of population metrics. We show that leveraging entropy and KL divergence can yield a better trade-off between reward and estimator variance than existing baselines, all while remaining nearly unbiased. These properties of entropy regularization illustrate an exciting potential for bridging the optimal exploration and estimation literatures.
EEG4Students: An Experimental Design for EEG Data Collection and Machine Learning Analysis
Authors: Guangyao Dou, Zheng Zhou
Date: 2022-08-24 00:00:00
Tasks: EEG, Electroencephalogram (EEG), Experimental Design

Using Machine Learning and Deep Learning to predict cognitive tasks from electroencephalography (EEG) signals has been a fast-developing area in Brain-Computer Interfaces (BCI). However, during the COVID-19 pandemic, data collection and analysis could be more challenging. The remote experiment during the pandemic yields several challenges, and we discuss the possible solutions. This paper explores machine learning algorithms that can run efficiently on personal computers for BCI classification tasks. The results show that Random Forest and RBF SVM perform well for EEG classification tasks. Furthermore, we investigate how to conduct such BCI experiments using affordable consumer-grade devices to collect EEG-based BCI data. In addition, we have developed the data collection protocol, EEG4Students, that grants non-experts who are interested in a guideline for such data collection. Our code and data can be found at https://github.com/GuangyaoDou/EEG4Students.
Rethinking Cost-sensitive Classification in Deep Learning via Adversarial Data Augmentation
Authors: Qiyuan Chen, Raed Al Kontar, Maher Nouiehed, Jessie Yang, Corey Lester
Date: 2022-08-24 00:00:00
Tasks: Data Augmentation

Cost-sensitive classification is critical in applications where misclassification errors widely vary in cost. However, over-parameterization poses fundamental challenges to the cost-sensitive modeling of deep neural networks (DNNs). The ability of a DNN to fully interpolate a training dataset can render a DNN, evaluated purely on the training set, ineffective in distinguishing a cost-sensitive solution from its overall accuracy maximization counterpart. This necessitates rethinking cost-sensitive classification in DNNs. To address this challenge, this paper proposes a cost-sensitive adversarial data augmentation (CSADA) framework to make over-parameterized models cost-sensitive. The overarching idea is to generate targeted adversarial examples that push the decision boundary in cost-aware directions. These targeted adversarial samples are generated by maximizing the probability of critical misclassifications and used to train a model with more conservative decisions on costly pairs. Experiments on well-known datasets and a pharmacy medication image (PMI) dataset made publicly available show that our method can effectively minimize the overall cost and reduce critical errors, while achieving comparable performance in terms of overall accuracy.
Hyperparameter Optimization for Unsupervised Outlier Detection
Authors: Yue Zhao, Leman Akoglu
Date: 2022-08-24 00:00:00
Tasks: Hyperparameter Optimization, Meta-Learning, Outlier Detection

Given an unsupervised outlier detection (OD) algorithm, how can we optimize its hyperparameter(s) (HP) on a new dataset, without any labels? In this work, we address this challenging hyperparameter optimization for unsupervised OD problem, and propose the first systematic approach called HPOD that is based on meta-learning. HPOD capitalizes on the prior performance of a large collection of HPs on existing OD benchmark datasets, and transfers this information to enable HP evaluation on a new dataset without labels. Moreover, HPOD adapts a prominent sampling paradigm to identify promising HPs efficiently. Extensive experiments show that HPOD works with both deep (e.g., Robust AutoEncoder) and shallow (e.g., Local Outlier Factor (LOF) and Isolation Forest (iForest)) OD algorithms on discrete and continuous HP spaces, and outperforms a wide range of baselines with on average 58% and 66% performance improvement over the default HPs of LOF and iForest.