pwc-archive/papers-with-abstracts huggingface dataset:
Non-stationary Gaussian process discriminant analysis with variable selection for high-dimensional functional data
Authors: W Yu, S Wade, H D Bondell, L Azizi
Date: 2021-09-29 00:00:00
Tasks: feature selection, Uncertainty Quantification, Variable Selection

High-dimensional classification and feature selection tasks are ubiquitous with the recent advancement in data acquisition technology. In several application areas such as biology, genomics and proteomics, the data are often functional in their nature and exhibit a degree of roughness and non-stationarity. These structures pose additional challenges to commonly used methods that rely mainly on a two-stage approach performing variable selection and classification separately. We propose in this work a novel Gaussian process discriminant analysis (GPDA) that combines these steps in a unified framework. Our model is a two-layer non-stationary Gaussian process coupled with an Ising prior to identify differentially-distributed locations. Scalable inference is achieved via developing a variational scheme that exploits advances in the use of sparse inverse covariance matrices. We demonstrate the performance of our methodology on simulated datasets and two proteomics datasets: breast cancer and SARS-CoV-2. Our approach distinguishes itself by offering explainability as well as uncertainty quantification in addition to low computational cost, which are crucial to increase trust and social acceptance of data-driven tools.
Can multi-label classification networks know what they don't know?
Authors: Haoran Wang, Weitang Liu, Alex Bocchieri, Yixuan Li
Date: 2021-09-29 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Classification, Multi-class Classification, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION, Out of Distribution (OOD) Detection

Estimating out-of-distribution (OOD) uncertainty is a central challenge for safely deploying machine learning models in the open-world environment. Improved methods for OOD detection in multi-class classification have emerged, while OOD detection methods for multi-label classification remain underexplored and use rudimentary techniques. We propose JointEnergy, a simple and effective method, which estimates the OOD indicator scores by aggregating energy scores from multiple labels. We show that JointEnergy can be mathematically interpreted from a joint likelihood perspective. Our results show consistent improvement over previous methods that are based on the maximum-valued scores, which fail to capture joint information from multiple labels. We demonstrate the effectiveness of our method on three common multi-label classification benchmarks, including MS-COCO, PASCAL-VOC, and NUS-WIDE. We show that JointEnergy can reduce the FPR95 by up to 10.05% compared to the previous best baseline, establishing state-of-the-art performance.
Adaptive Multi-layer Contrastive Graph Neural Networks
Authors: Shuhao Shi, Pengfei Xie, Xu Luo, Kai Qiao, Linyuan Wang, Jian Chen, Bin Yan
Date: 2021-09-29 00:00:00
Tasks: Data Augmentation, Graph Neural Network, Self-Supervised Learning

We present Adaptive Multi-layer Contrastive Graph Neural Networks (AMC-GNN), a self-supervised learning framework for Graph Neural Network, which learns feature representations of sample data without data labels. AMC-GNN generates two graph views by data augmentation and compares different layers' output embeddings of Graph Neural Network encoders to obtain feature representations, which could be used for downstream tasks. AMC-GNN could learn the importance weights of embeddings in different layers adaptively through the attention mechanism, and an auxiliary encoder is introduced to train graph contrastive encoders better. The accuracy is improved by maximizing the representation's consistency of positive pairs in the early layers and the final embedding space. Our experiments show that the results can be consistently improved by using the AMC-GNN framework, across four established graph benchmarks: Cora, Citeseer, Pubmed, DBLP citation network datasets, as well as four newly proposed datasets: Co-author-CS, Co-author-Physics, Amazon-Computers, Amazon-Photo.
Second-Order Neural ODE Optimizer
Authors: Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou
Date: 2021-09-29 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: image-classification, Image Classification, Second-order methods, Time Series, Time Series Analysis, Time Series Prediction

We propose a novel second-order optimization framework for training the emerging deep continuous-time models, specifically the Neural Ordinary Differential Equations (Neural ODEs). Since their training already involves expensive gradient computation by solving a backward ODE, deriving efficient second-order methods becomes highly nontrivial. Nevertheless, inspired by the recent Optimal Control (OC) interpretation of training deep networks, we show that a specific continuous-time OC methodology, called Differential Programming, can be adopted to derive backward ODEs for higher-order derivatives at the same O(1) memory cost. We further explore a low-rank representation of the second-order derivatives and show that it leads to efficient preconditioned updates with the aid of Kronecker-based factorization. The resulting method -- named SNOpt -- converges much faster than first-order baselines in wall-clock time, and the improvement remains consistent across various applications, e.g. image classification, generative flow, and time-series prediction. Our framework also enables direct architecture optimization, such as the integration time of Neural ODEs, with second-order feedback policies, strengthening the OC perspective as a principled tool of analyzing optimization in deep learning. Our code is available at https://github.com/ghliu/snopt.
Temporal Clustering with External Memory Network for Disease Progression Modeling
Authors: Zicong Zhang, Changchang Yin, Ping Zhang
Date: 2021-09-29 00:00:00
Tasks: Clustering

Disease progression modeling (DPM) involves using mathematical frameworks to quantitatively measure the severity of how certain disease progresses. DPM is useful in many ways such as predicting health state, categorizing disease stages, and assessing patients disease trajectory etc. Recently, with wider availability of electronic health records (EHR) and the broad application of data-driven machine learning method, DPM has attracted much attention yet remains two major challenges: (i) Due to the existence of irregularity, heterogeneity and long-term dependency in EHRs, most existing DPM methods might not be able to provide comprehensive patient representations. (ii) Lots of records in EHRs might be irrelevant to the target disease. Most existing models learn to automatically focus on the relevant information instead of explicitly capture the target-relevant events, which might make the learned model suboptimal. To address these two issues, we propose Temporal Clustering with External Memory Network (TC-EMNet) for DPM that groups patients with similar trajectories to form disease clusters/stages. TC-EMNet uses a variational autoencoder (VAE) to capture internal complexity from the input data and utilizes an external memory work to capture long term distance information, both of which are helpful for producing comprehensive patient states. Last but not least, k-means algorithm is adopted to cluster the extracted comprehensive patient states to capture disease progression. Experiments on two real-world datasets show that our model demonstrates competitive clustering performance against state-of-the-art methods and is able to identify clinically meaningful clusters. The visualization of the extracted patient states shows that the proposed model can generate better patient states than the baselines.
Improving Dialogue State Tracking by Joint Slot Modeling
Authors: Ting-Rui Chiang, Yi-Ting Yeh
Date: 2021-09-29 00:00:00
Proceeding: EMNLP (NLP4ConvAI) 2021 11
Tasks: Dialogue State Tracking

Dialogue state tracking models play an important role in a task-oriented dialogue system. However, most of them model the slot types conditionally independently given the input. We discover that it may cause the model to be confused by slot types that share the same data type. To mitigate this issue, we propose TripPy-MRF and TripPy-LSTM that models the slots jointly. Our results show that they are able to alleviate the confusion mentioned above, and they push the state-of-the-art on dataset MultiWoZ 2.1 from 58.7 to 61.3. Our implementation is available at https://github.com/CTinRay/Trippy-Joint.
On the Provable Generalization of Recurrent Neural Networks
Authors: Lifu Wang, Bo Shen, Bo Hu, Xing Cao
Date: 2021-09-29 00:00:00
Proceeding: NeurIPS 2021 12

Recurrent Neural Network (RNN) is a fundamental structure in deep learning. Recently, some works study the training process of over-parameterized neural networks, and show that over-parameterized networks can learn functions in some notable concept classes with a provable generalization error bound. In this paper, we analyze the training and generalization for RNNs with random initialization, and provide the following improvements over recent works: 1) For a RNN with input sequence $x=(X_1,X_2,...,X_L)$, previous works study to learn functions that are summation of $f(\beta^T_lX_l)$ and require normalized conditions that $||X_l||\leq\epsilon$ with some very small $\epsilon$ depending on the complexity of $f$. In this paper, using detailed analysis about the neural tangent kernel matrix, we prove a generalization error bound to learn such functions without normalized conditions and show that some notable concept classes are learnable with the numbers of iterations and samples scaling almost-polynomially in the input length $L$. 2) Moreover, we prove a novel result to learn N-variables functions of input sequence with the form $f(\beta^T[X_{l_1},...,X_{l_N}])$, which do not belong to the "additive" concept class, i,e., the summation of function $f(X_l)$. And we show that when either $N$ or $l_0=\max(l_1,..,l_N)-\min(l_1,..,l_N)$ is small, $f(\beta^T[X_{l_1},...,X_{l_N}])$ will be learnable with the number iterations and samples scaling almost-polynomially in the input length $L$.
Vitruvion: A Generative Model of Parametric CAD Sketches
Authors: Ari Seff, Wenda Zhou, Nick Richardson, Ryan P. Adams
Date: 2021-09-29 00:00:00
Proceeding: ICLR 2022 4
Tasks: model

Parametric computer-aided design (CAD) tools are the predominant way that engineers specify physical structures, from bicycle pedals to airplanes to printed circuit boards. The key characteristic of parametric CAD is that design intent is encoded not only via geometric primitives, but also by parameterized constraints between the elements. This relational specification can be viewed as the construction of a constraint program, allowing edits to coherently propagate to other parts of the design. Machine learning offers the intriguing possibility of accelerating the design process via generative modeling of these structures, enabling new tools such as autocompletion, constraint inference, and conditional synthesis. In this work, we present such an approach to generative modeling of parametric CAD sketches, which constitute the basic computational building blocks of modern mechanical design. Our model, trained on real-world designs from the SketchGraphs dataset, autoregressively synthesizes sketches as sequences of primitives, with initial coordinates, and constraints that reference back to the sampled primitives. As samples from the model match the constraint graph representation used in standard CAD software, they may be directly imported, solved, and edited according to downstream design tasks. In addition, we condition the model on various contexts, including partial sketches (primers) and images of hand-drawn sketches. Evaluation of the proposed approach demonstrates its ability to synthesize realistic CAD sketches and its potential to aid the mechanical design workflow.
Stochastic Training is Not Necessary for Generalization
Authors: Jonas Geiping, Micah Goldblum, Phillip E. Pope, Michael Moeller, Tom Goldstein
Date: 2021-09-29 00:00:00
Proceeding: ICLR 2022 4
Tasks: Data Augmentation

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.
Neural Network Ensembles: Theory, Training, and the Importance of Explicit Diversity
Authors: Wenjing Li, Randy C. Paffenroth, David Berthiaume
Date: 2021-09-29 00:00:00
Tasks: Diversity, Ensemble Learning

Ensemble learning is a process by which multiple base learners are strategically generated and combined into one composite learner. There are two features that are essential to an ensemble's performance, the individual accuracies of the component learners and the overall diversity in the ensemble. The right balance of learner accuracy and ensemble diversity can improve the performance of machine learning tasks on benchmark and real-world data sets, and recent theoretical and practical work has demonstrated the subtle trade-off between accuracy and diversity in an ensemble. In this paper, we extend the extant literature by providing a deeper theoretical understanding for assessing and improving the optimality of any given ensemble, including random forests and deep neural network ensembles. We also propose a training algorithm for neural network ensembles and demonstrate that our approach provides improved performance when compared to both state-of-the-art individual learners and ensembles of state-of-the-art learners trained using standard loss functions. Our key insight is that it is better to explicitly encourage diversity in an ensemble, rather than merely allowing diversity to occur by happenstance, and that rigorous theoretical bounds on the trade-off between diversity and learner accuracy allow one to know when an optimal arrangement has been achieved.
How Much Data Analytics is Enough? The ROI of Machine Learning Classification and its Application to Requirements Dependency Classification
Authors: Gouri Deshpande, Guenther Ruhe, Chad Saunders
Date: 2021-09-28 00:00:00
Tasks: Classification, Decision Making

Machine Learning (ML) can substantially improve the efficiency and effectiveness of organizations and is widely used for different purposes within Software Engineering. However, the selection and implementation of ML techniques rely almost exclusively on accuracy criteria. Thus, for organizations wishing to realize the benefits of ML investments, this narrow approach ignores crucial considerations around the anticipated costs of the ML activities across the ML lifecycle, while failing to account for the benefits that are likely to accrue from the proposed activity. We present findings for an approach that addresses this gap by enhancing the accuracy criterion with return on investment (ROI) considerations. Specifically, we analyze the performance of the two state-of-the-art ML techniques: Random Forest and Bidirectional Encoder Representations from Transformers (BERT), based on accuracy and ROI for two publicly available data sets. Specifically, we compare decision-making on requirements dependency extraction (i) exclusively based on accuracy and (ii) extended to include ROI analysis. As a result, we propose recommendations for selecting ML classification techniques based on the degree of training data used. Our findings indicate that considering ROI as additional criteria can drastically influence ML selection when compared to decisions based on accuracy as the sole criterion
Reversible Gromov-Monge Sampler for Simulation-Based Inference
Authors: YoonHaeng Hur, Wenxuan Guo, Tengyuan Liang
Date: 2021-09-28 00:00:00

This paper introduces a new simulation-based inference procedure to model and sample from multi-dimensional probability distributions given access to i.i.d.\ samples, circumventing the usual approaches of explicitly modeling the density function or designing Markov chain Monte Carlo. Motivated by the seminal work on distance and isomorphism between metric measure spaces, we propose a new notion called the Reversible Gromov-Monge (RGM) distance and study how RGM can be used to design new transform samplers to perform simulation-based inference. Our RGM sampler can also estimate optimal alignments between two heterogeneous metric measure spaces $(\cX, \mu, c_{\cX})$ and $(\cY, \nu, c_{\cY})$ from empirical data sets, with estimated maps that approximately push forward one measure $\mu$ to the other $\nu$, and vice versa. We study the analytic properties of the RGM distance and derive that under mild conditions, RGM equals the classic Gromov-Wasserstein distance. Curiously, drawing a connection to Brenier's polar factorization, we show that the RGM sampler induces bias towards strong isomorphism with proper choices of $c_{\cX}$ and $c_{\cY}$. Statistical rate of convergence, representation, and optimization questions regarding the induced sampler are studied. Synthetic and real-world examples showcasing the effectiveness of the RGM sampler are also demonstrated.
Sample-Efficient Safety Assurances using Conformal Prediction
Authors: Rachel Luo, Shengjia Zhao, Jonathan Kuck, Boris Ivanovic, Silvio Savarese, Edward Schmerling, Marco Pavone
Date: 2021-09-28 00:00:00
Tasks: Conformal Prediction, Prediction, Robotic Grasping

When deploying machine learning models in high-stakes robotics applications, the ability to detect unsafe situations is crucial. Early warning systems can provide alerts when an unsafe situation is imminent (in the absence of corrective action). To reliably improve safety, these warning systems should have a provable false negative rate; i.e. of the situations that are unsafe, fewer than $\epsilon$ will occur without an alert. In this work, we present a framework that combines a statistical inference technique known as conformal prediction with a simulator of robot/environment dynamics, in order to tune warning systems to provably achieve an $\epsilon$ false negative rate using as few as $1/\epsilon$ data points. We apply our framework to a driver warning system and a robotic grasping application, and empirically demonstrate guaranteed false negative rate while also observing low false detection (positive) rate.
The impact of non-target events in synthetic soundscapes for sound event detection
Authors: Francesca Ronchini, Romain Serizel, Nicolas Turpault, Samuele Cornell
Date: 2021-09-28 00:00:00
Tasks: Event Detection, Sound Event Detection

Detection and Classification Acoustic Scene and Events Challenge 2021 Task 4 uses a heterogeneous dataset that includes both recorded and synthetic soundscapes. Until recently only target sound events were considered when synthesizing the soundscapes. However, recorded soundscapes often contain a substantial amount of non-target events that may affect the performance. In this paper, we focus on the impact of these non-target events in the synthetic soundscapes. Firstly, we investigate to what extent using non-target events alternatively during the training or validation phase (or none of them) helps the system to correctly detect target events. Secondly, we analyze to what extend adjusting the signal-to-noise ratio between target and non-target events at training improves the sound event detection performance. The results show that using both target and non-target events for only one of the phases (validation or training) helps the system to properly detect sound events, outperforming the baseline (which uses non-target events in both phases). The paper also reports the results of a preliminary study on evaluating the system on clips that contain only non-target events. This opens questions for future work on non-target subset and acoustic similarity between target and non-target events which might confuse the system.
Federated Learning Algorithms for Generalized Mixed-effects Model (GLMM) on Horizontally Partitioned Data from Distributed Sources
Authors: Wentao Li, Jiayi Tong, Md. Monowar Anjum, Noman Mohammed, Yong Chen, Xiaoqian Jiang
Date: 2021-09-28 00:00:00
Tasks: Federated Learning

Objectives: This paper develops two algorithms to achieve federated generalized linear mixed effect models (GLMM), and compares the developed model's outcomes with each other, as well as that from the standard R package (`lme4'). Methods: The log-likelihood function of GLMM is approximated by two numerical methods (Laplace approximation and Gaussian Hermite approximation), which supports federated decomposition of GLMM to bring computation to data. Results: Our developed method can handle GLMM to accommodate hierarchical data with multiple non-independent levels of observations in a federated setting. The experiment results demonstrate comparable (Laplace) and superior (Gaussian-Hermite) performances with simulated and real-world data. Conclusion: We developed and compared federated GLMMs with different approximations, which can support researchers in analyzing biomedical data to accommodate mixed effects and address non-independence due to hierarchical structures (i.e., institutes, region, country, etc.).
Local Repair of Neural Networks Using Optimization
Authors: Keyvan Majd, Siyu Zhou, Heni Ben Amor, Georgios Fainekos, Sriram Sankaranarayanan
Date: 2021-09-28 00:00:00

In this paper, we propose a framework to repair a pre-trained feed-forward neural network (NN) to satisfy a set of properties. We formulate the properties as a set of predicates that impose constraints on the output of NN over the target input domain. We define the NN repair problem as a Mixed Integer Quadratic Program (MIQP) to adjust the weights of a single layer subject to the given predicates while minimizing the original loss function over the original training domain. We demonstrate the application of our framework in bounding an affine transformation, correcting an erroneous NN in classification, and bounding the inputs of a NN controller.
Learning Perceptual Locomotion on Uneven Terrains using Sparse Visual Observations
Authors: Fernando Acero, Kai Yuan, Zhibin Li
Date: 2021-09-28 00:00:00
Tasks: Navigate

To proactively navigate and traverse various terrains, active use of visual perception becomes indispensable. We aim to investigate the feasibility and performance of using sparse visual observations to achieve perceptual locomotion over a range of common terrains (steps, ramps, gaps, and stairs) in human-centered environments. We formulate a selection of sparse visual inputs suitable for locomotion over the terrains of interest, and propose a learning framework to integrate exteroceptive and proprioceptive states. We specifically design the state observations and a training curriculum to learn feedback control policies effectively over a range of different terrains. We extensively validate and benchmark the learned policy in various tasks: omnidirectional walking on flat ground, and forward locomotion over various obstacles, showing high success rate of traversability. Furthermore, we study exteroceptive ablations and evaluate policy generalization by adding various levels of noise and testing on new unseen terrains. We demonstrate the capabilities of autonomous perceptual locomotion that can be achieved by only using sparse visual observations from direct depth measurements, which are easily available from a Lidar or RGB-D sensor, showing robust ascent and descent over high stairs of 20 cm height, i.e., 50% leg length, and robustness against noise and unseen terrains.