pwc-archive/papers-with-abstracts huggingface dataset:
Temperature as Uncertainty in Contrastive Learning
Authors: Oliver Zhang, Mike Wu, Jasmine Bayrooti, Noah Goodman
Date: 2021-10-08 00:00:00
Tasks: Contrastive Learning, Linear evaluation, Out-of-Distribution Detection

Contrastive learning has demonstrated great capability to learn representations without annotations, even outperforming supervised baselines. However, it still lacks important properties useful for real-world application, one of which is uncertainty. In this paper, we propose a simple way to generate uncertainty scores for many contrastive methods by re-purposing temperature, a mysterious hyperparameter used for scaling. By observing that temperature controls how sensitive the objective is to specific embedding locations, we aim to learn temperature as an input-dependent variable, treating it as a measure of embedding confidence. We call this approach "Temperature as Uncertainty", or TaU. Through experiments, we demonstrate that TaU is useful for out-of-distribution detection, while remaining competitive with benchmarks on linear evaluation. Moreover, we show that TaU can be learned on top of pretrained models, enabling uncertainty scores to be generated post-hoc with popular off-the-shelf models. In summary, TaU is a simple yet versatile method for generating uncertainties for contrastive learning. Open source code can be found at: https://github.com/mhw32/temperature-as-uncertainty-public.
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations
Authors: Keir Adams, Lagnajit Pattanaik, Connor W. Coley
Date: 2021-10-08 00:00:00
Proceeding: ICLR 2022 4
Tasks: Contrastive Learning, Data Augmentation, Molecular Property Prediction, Property Prediction, Representation Learning

Molecular chirality, a form of stereochemistry most often describing relative spatial arrangements of bonded neighbors around tetrahedral carbon centers, influences the set of 3D conformers accessible to the molecule without changing its 2D graph connectivity. Chirality can strongly alter (bio)chemical interactions, particularly protein-drug binding. Most 2D graph neural networks (GNNs) designed for molecular property prediction at best use atomic labels to na\"ively treat chirality, while E(3)-invariant 3D GNNs are invariant to chirality altogether. To enable representation learning on molecules with defined stereochemistry, we design an SE(3)-invariant model that processes torsion angles of a 3D molecular conformer. We explicitly model conformational flexibility by integrating a novel type of invariance to rotations about internal molecular bonds into the architecture, mitigating the need for multi-conformer data augmentation. We test our model on four benchmarks: contrastive learning to distinguish conformers of different stereoisomers in a learned latent space, classification of chiral centers as R/S, prediction of how enantiomers rotate circularly polarized light, and ranking enantiomers by their docking scores in an enantiosensitive protein pocket. We compare our model, Chiral InterRoto-Invariant Neural Network (ChIRo), with 2D and 3D GNNs to demonstrate that our model achieves state of the art performance when learning chiral-sensitive functions from molecular structures.
Performance optimizations on deep noise suppression models
Authors: Jerry Chee, Sebastian Braun, Vishak Gopal, Ross Cutler
Date: 2021-10-08 00:00:00

We study the role of magnitude structured pruning as an architecture search to speed up the inference time of a deep noise suppression (DNS) model. While deep learning approaches have been remarkably successful in enhancing audio quality, their increased complexity inhibits their deployment in real-time applications. We achieve up to a 7.25X inference speedup over the baseline, with a smooth model performance degradation. Ablation studies indicate that our proposed network re-parameterization (i.e., size per layer) is the major driver of the speedup, and that magnitude structured pruning does comparably to directly training a model in the smaller size. We report inference speed because a parameter reduction does not necessitate speedup, and we measure model quality using an accurate non-intrusive objective speech quality metric.
Neural Link Prediction with Walk Pooling
Authors: Liming Pan, Cheng Shi, Ivan Dokmanić
Date: 2021-10-08 00:00:00
Proceeding: ICLR 2022 4
Tasks: Link Prediction, Prediction

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.
Towards a Unified View of Parameter-Efficient Transfer Learning
Authors: Junxian He, Chunting Zhou, Xuezhe Ma, Taylor Berg-Kirkpatrick, Graham Neubig
Date: 2021-10-08 00:00:00
Proceeding: ICLR 2022 4
Tasks: Machine Translation, parameter-efficient fine-tuning, text-classification, Text Classification, Text Summarization, Transfer Learning

Fine-tuning large pre-trained language models on downstream tasks has become the de-facto learning paradigm in NLP. However, conventional approaches fine-tune all the parameters of the pre-trained model, which becomes prohibitive as the model size and the number of tasks grow. Recent work has proposed a variety of parameter-efficient transfer learning methods that only fine-tune a small number of (extra) parameters to attain strong performance. While effective, the critical ingredients for success and the connections among the various methods are poorly understood. In this paper, we break down the design of state-of-the-art parameter-efficient transfer learning methods and present a unified framework that establishes connections between them. Specifically, we re-frame them as modifications to specific hidden states in pre-trained models, and define a set of design dimensions along which different methods vary, such as the function to compute the modification and the position to apply the modification. Through comprehensive empirical studies across machine translation, text summarization, language understanding, and text classification benchmarks, we utilize the unified view to identify important design choices in previous methods. Furthermore, our unified framework enables the transfer of design elements across different approaches, and as a result we are able to instantiate new parameter-efficient fine-tuning methods that tune less parameters than previous methods while being more effective, achieving comparable results to fine-tuning all parameters on all four tasks.
Certifying Robustness to Programmable Data Bias in Decision Trees
Authors: Anna P. Meyer, Aws Albarghouthi, Loris D'Antoni
Date: 2021-10-08 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Fairness

Datasets can be biased due to societal inequities, human biases, under-representation of minorities, etc. Our goal is to certify that models produced by a learning algorithm are pointwise-robust to potential dataset biases. This is a challenging problem: it entails learning models for a large, or even infinite, number of datasets, ensuring that they all produce the same prediction. We focus on decision-tree learning due to the interpretable nature of the models. Our approach allows programmatically specifying bias models across a variety of dimensions (e.g., missing data for minorities), composing types of bias, and targeting bias towards a specific group. To certify robustness, we use a novel symbolic technique to evaluate a decision-tree learner on a large, or infinite, number of datasets, certifying that each and every dataset produces the same prediction for a specific test point. We evaluate our approach on datasets that are commonly used in the fairness literature, and demonstrate our approach's viability on a range of bias models.
Hankel-structured Tensor Robust PCA for Multivariate Traffic Time Series Anomaly Detection
Authors: Xudong Wang, Luis Miranda-Moreno, Lijun Sun
Date: 2021-10-08 00:00:00
Tasks: Anomaly Detection, Time Series, Time Series Analysis, Time Series Anomaly Detection

Spatiotemporal traffic data (e.g., link speed/flow) collected from sensor networks can be organized as multivariate time series with additional spatial attributes. A crucial task in analyzing such data is to identify and detect anomalous observations and events from the data with complex spatial and temporal dependencies. Robust Principal Component Analysis (RPCA) is a widely used tool for anomaly detection. However, the traditional RPCA purely relies on the global low-rank assumption while ignoring the local temporal correlations. In light of this, this study proposes a Hankel-structured tensor version of RPCA for anomaly detection in spatiotemporal data. We treat the raw data with anomalies as a multivariate time series matrix (location $\times$ time) and assume the denoised matrix has a low-rank structure. Then we transform the low-rank matrix to a third-order tensor by applying temporal Hankelization. In the end, we decompose the corrupted matrix into a low-rank Hankel tensor and a sparse matrix. With the Hankelization operation, the model can simultaneously capture the global and local spatiotemporal correlations and exhibit more robust performance. We formulate the problem as an optimization problem and use tensor nuclear norm (TNN) to approximate the tensor rank and $l_1$ norm to approximate the sparsity. We develop an efficient solution algorithm based on the Alternating Direction Method of Multipliers (ADMM). Despite having three hyper-parameters, the model is easy to set in practice. We evaluate the proposed method by synthetic data and metro passenger flow time series and the results demonstrate the accuracy of anomaly detection.
FRL: Federated Rank Learning
Authors: Hamid Mozaffari, Virat Shejwalkar, Amir Houmansadr
Date: 2021-10-08 00:00:00
Tasks: Federated Learning

Federated learning (FL) allows mutually untrusted clients to collaboratively train a common machine learning model without sharing their private/proprietary training data among each other. FL is unfortunately susceptible to poisoning by malicious clients who aim to hamper the accuracy of the commonly trained model through sending malicious model updates during FL's training process. We argue that the key factor to the success of poisoning attacks against existing FL systems is the large space of model updates available to the clients, allowing malicious clients to search for the most poisonous model updates, e.g., by solving an optimization problem. To address this, we propose Federated Rank Learning (FRL). FRL reduces the space of client updates from model parameter updates (a continuous space of float numbers) in standard FL to the space of parameter rankings (a discrete space of integer values). To be able to train the global model using parameter ranks (instead of parameter weights), FRL leverage ideas from recent supermasks training mechanisms. Specifically, FRL clients rank the parameters of a randomly initialized neural network (provided by the server) based on their local training data. The FRL server uses a voting mechanism to aggregate the parameter rankings submitted by clients in each training epoch to generate the global ranking of the next training epoch. Intuitively, our voting-based aggregation mechanism prevents poisoning clients from making significant adversarial modifications to the global model, as each client will have a single vote! We demonstrate the robustness of FRL to poisoning through analytical proofs and experimentation. We also show FRL's high communication efficiency. Our experiments demonstrate the superiority of FRL in real-world FL settings.
Towards Sample-efficient Apprenticeship Learning from Suboptimal Demonstration
Authors: Letian Chen, Rohan Paleja, Matthew Gombolay
Date: 2021-10-08 00:00:00

Learning from Demonstration (LfD) seeks to democratize robotics by enabling non-roboticist end-users to teach robots to perform novel tasks by providing demonstrations. However, as demonstrators are typically non-experts, modern LfD techniques are unable to produce policies much better than the suboptimal demonstration. A previously-proposed framework, SSRR, has shown success in learning from suboptimal demonstration but relies on noise-injected trajectories to infer an idealized reward function. A random approach such as noise-injection to generate trajectories has two key drawbacks: 1) Performance degradation could be random depending on whether the noise is applied to vital states and 2) Noise-injection generated trajectories may have limited suboptimality and therefore will not accurately represent the whole scope of suboptimality. We present Systematic Self-Supervised Reward Regression, S3RR, to investigate systematic alternatives for trajectory degradation. We carry out empirical evaluations and find S3RR can learn comparable or better reward correlation with ground-truth against a state-of-the-art learning from suboptimal demonstration framework.
Adversarial Token Attacks on Vision Transformers
Authors: Ameya Joshi, Gauri Jagatap, Chinmay Hegde
Date: 2021-10-08 00:00:00

Vision transformers rely on a patch token based self attention mechanism, in contrast to convolutional networks. We investigate fundamental differences between these two families of models, by designing a block sparsity based adversarial token attack. We probe and analyze transformer as well as convolutional models with token attacks of varying patch sizes. We infer that transformer models are more sensitive to token attacks than convolutional models, with ResNets outperforming Transformer models by up to $\sim30\%$ in robust accuracy for single token attacks.
KG-FiD: Infusing Knowledge Graph in Fusion-in-Decoder for Open-Domain Question Answering
Authors: Donghan Yu, Chenguang Zhu, Yuwei Fang, Wenhao Yu, Shuohang Wang, Yichong Xu, Xiang Ren, Yiming Yang, Michael Zeng
Date: 2021-10-08 00:00:00
Proceeding: ACL 2022 5
Tasks: Answer Generation, Decoder, Graph Neural Network, Open-Domain Question Answering, Passage Retrieval, Question Answering, Reranking, Retrieval, TriviaQA

Current Open-Domain Question Answering (ODQA) model paradigm often contains a retrieving module and a reading module. Given an input question, the reading module predicts the answer from the relevant passages which are retrieved by the retriever. The recent proposed Fusion-in-Decoder (FiD), which is built on top of the pretrained generative model T5, achieves the state-of-the-art performance in the reading module. Although being effective, it remains constrained by inefficient attention on all retrieved passages which contain a lot of noise. In this work, we propose a novel method KG-FiD, which filters noisy passages by leveraging the structural relationship among the retrieved passages with a knowledge graph. We initiate the passage node embedding from the FiD encoder and then use graph neural network (GNN) to update the representation for reranking. To improve the efficiency, we build the GNN on top of the intermediate layer output of the FiD encoder and only pass a few top reranked passages into the higher layers of encoder and decoder for answer generation. We also apply the proposed GNN based reranking method to enhance the passage retrieval results in the retrieving module. Extensive experiments on common ODQA benchmark datasets (Natural Question and TriviaQA) demonstrate that KG-FiD can improve vanilla FiD by up to 1.5% on answer exact match score and achieve comparable performance with FiD with only 40% of computation cost.
Distinguishing rule- and exemplar-based generalization in learning systems
Authors: Ishita Dasgupta, Erin Grant, Thomas L. Griffiths
Date: 2021-10-08 00:00:00
Tasks: BIG-bench Machine Learning, Data Augmentation, Fairness, Systematic Generalization

Machine learning systems often do not share the same inductive biases as humans and, as a result, extrapolate or generalize in ways that are inconsistent with our expectations. The trade-off between exemplar- and rule-based generalization has been studied extensively in cognitive psychology; in this work, we present a protocol inspired by these experimental approaches to probe the inductive biases that control this tradeoff in category-learning systems. We isolate two such inductive biases: feature-level bias (differences in which features are more readily learned) and exemplar or rule bias (differences in how these learned features are used for generalization). We find that standard neural network models are feature-biased and exemplar-based, and discuss the implications of these findings for machine learning research on systematic generalization, fairness, and data augmentation.
Learning a Self-Expressive Network for Subspace Clustering
Authors: Shangzhi Zhang, Chong You, René Vidal, Chun-Guang Li
Date: 2021-10-08 00:00:00
Proceeding: CVPR 2021 1
Tasks: Clustering

State-of-the-art subspace clustering methods are based on self-expressive model, which represents each data point as a linear combination of other data points. However, such methods are designed for a finite sample dataset and lack the ability to generalize to out-of-sample data. Moreover, since the number of self-expressive coefficients grows quadratically with the number of data points, their ability to handle large-scale datasets is often limited. In this paper, we propose a novel framework for subspace clustering, termed Self-Expressive Network (SENet), which employs a properly designed neural network to learn a self-expressive representation of the data. We show that our SENet can not only learn the self-expressive coefficients with desired properties on the training data, but also handle out-of-sample data. Besides, we show that SENet can also be leveraged to perform subspace clustering on large-scale datasets. Extensive experiments conducted on synthetic data and real world benchmark data validate the effectiveness of the proposed method. In particular, SENet yields highly competitive performance on MNIST, Fashion MNIST and Extended MNIST and state-of-the-art performance on CIFAR-10. The code is available at https://github.com/zhangsz1998/Self-Expressive-Network.
Evaluating generative networks using Gaussian mixtures of image features
Authors: Lorenzo Luzi, Carlos Ortiz Marrero, Nile Wynar, Richard G. Baraniuk, Michael J. Henry
Date: 2021-10-08 00:00:00

We develop a measure for evaluating the performance of generative networks given two sets of images. A popular performance measure currently used to do this is the Fr\'echet Inception Distance (FID). FID assumes that images featurized using the penultimate layer of Inception-v3 follow a Gaussian distribution, an assumption which cannot be violated if we wish to use FID as a metric. However, we show that Inception-v3 features of the ImageNet dataset are not Gaussian; in particular, every single marginal is not Gaussian. To remedy this problem, we model the featurized images using Gaussian mixture models (GMMs) and compute the 2-Wasserstein distance restricted to GMMs. We define a performance measure, which we call WaM, on two sets of images by using Inception-v3 (or another classifier) to featurize the images, estimate two GMMs, and use the restricted $2$-Wasserstein distance to compare the GMMs. We experimentally show the advantages of WaM over FID, including how FID is more sensitive than WaM to imperceptible image perturbations. By modelling the non-Gaussian features obtained from Inception-v3 as GMMs and using a GMM metric, we can more accurately evaluate generative network performance.
Dynamic Binary Neural Network by learning channel-wise thresholds
Authors: Jiehua Zhang, Zhuo Su, Yanghe Feng, Xin Lu, Matti Pietikäinen, Li Liu
Date: 2021-10-08 00:00:00

Binary neural networks (BNNs) constrain weights and activations to +1 or -1 with limited storage and computational cost, which is hardware-friendly for portable devices. Recently, BNNs have achieved remarkable progress and been adopted into various fields. However, the performance of BNNs is sensitive to activation distribution. The existing BNNs utilized the Sign function with predefined or learned static thresholds to binarize activations. This process limits representation capacity of BNNs since different samples may adapt to unequal thresholds. To address this problem, we propose a dynamic BNN (DyBNN) incorporating dynamic learnable channel-wise thresholds of Sign function and shift parameters of PReLU. The method aggregates the global information into the hyper function and effectively increases the feature expression ability. The experimental results prove that our method is an effective and straightforward way to reduce information loss and enhance performance of BNNs. The DyBNN based on two backbones of ReActNet (MobileNetV1 and ResNet18) achieve 71.2% and 67.4% top1-accuracy on ImageNet dataset, outperforming baselines by a large margin (i.e., 1.8% and 1.5% respectively).
Salient ImageNet: How to discover spurious features in Deep Learning?
Authors: Sahil Singla, Soheil Feizi
Date: 2021-10-08 00:00:00
Tasks: Attribute, Deep Learning

Deep neural networks can be unreliable in the real world especially when they heavily use {\it spurious} features for their predictions. Focusing on image classifications, we define {\it core features} as the set of visual features that are always a part of the object definition while {\it spurious features} are the ones that are likely to {\it co-occur} with the object but not a part of it (e.g., attribute "fingers" for class "band aid"). Traditional methods for discovering spurious features either require extensive human annotations (thus, not scalable), or are useful on specific models. In this work, we introduce a {\it general} framework to discover a subset of spurious and core visual features used in inferences of a general model and localize them on a large number of images with minimal human supervision. Our methodology is based on this key idea: to identify spurious or core \textit{visual features} used in model predictions, we identify spurious or core \textit{neural features} (penultimate layer neurons of a robust model) via limited human supervision (e.g., using top 5 activating images per feature). We then show that these neural feature annotations {\it generalize} extremely well to many more images {\it without} any human supervision. We use the activation maps for these neural features as the soft masks to highlight spurious or core visual features. Using this methodology, we introduce the {\it Salient Imagenet} dataset containing core and spurious masks for a large set of samples from Imagenet. Using this dataset, we show that several popular Imagenet models rely heavily on various spurious features in their predictions, indicating the standard accuracy alone is not sufficient to fully assess model performance. Code and dataset for reproducing all experiments in the paper is available at \url{https://github.com/singlasahil14/salient_imagenet}.