pwc-archive/papers-with-abstracts huggingface dataset:
Understanding Neural Code Intelligence Through Program Simplification
Authors: Md Rafiqul Islam Rabin, Vincent J. Hellendoorn, Mohammad Amin Alipour
Date: 2021-06-07 00:00:00
Tasks: Method name prediction, Variable misuse

A wide range of code intelligence (CI) tools, powered by deep neural networks, have been developed recently to improve programming productivity and perform program analysis. To reliably use such tools, developers often need to reason about the behavior of the underlying models and the factors that affect them. This is especially challenging for tools backed by deep neural networks. Various methods have tried to reduce this opacity in the vein of "transparent/interpretable-AI". However, these approaches are often specific to a particular set of network architectures, even requiring access to the network's parameters. This makes them difficult to use for the average programmer, which hinders the reliable adoption of neural CI systems. In this paper, we propose a simple, model-agnostic approach to identify critical input features for models in CI systems, by drawing on software debugging research, specifically delta debugging. Our approach, SIVAND, uses simplification techniques that reduce the size of input programs of a CI model while preserving the predictions of the model. We show that this approach yields remarkably small outputs and is broadly applicable across many model architectures and problem domains. We find that the models in our experiments often rely heavily on just a few syntactic features in input programs. We believe that SIVAND's extracted features may help understand neural CI systems' predictions and learned behavior.
Energy Aligning for Biased Models
Authors: Bowen Zhao, Chen Chen, Qi Ju, Shutao Xia
Date: 2021-06-07 00:00:00
Tasks: class-incremental learning, Class Incremental Learning, Incremental Learning

Training on class-imbalanced data usually results in biased models that tend to predict samples into the majority classes, which is a common and notorious problem. From the perspective of energy-based model, we demonstrate that the free energies of categories are aligned with the label distribution theoretically, thus the energies of different classes are expected to be close to each other when aiming for ``balanced'' performance. However, we discover a severe energy-bias phenomenon in the models trained on class-imbalanced dataset. To eliminate the bias, we propose a simple and effective method named Energy Aligning by merely adding the calculated shift scalars onto the output logits during inference, which does not require to (i) modify the network architectures, (ii) intervene the standard learning paradigm, (iii) perform two-stage training. The proposed algorithm is evaluated on two class imbalance-related tasks under various settings: class incremental learning and long-tailed recognition. Experimental results show that energy aligning can effectively alleviate class imbalance issue and outperform state-of-the-art methods on several benchmarks.
Instrument Space Selection for Kernel Maximum Moment Restriction
Authors: Rui Zhang, Krikamol Muandet, Bernhard Schölkopf, Masaaki Imaizumi
Date: 2021-06-07 00:00:00
Tasks: parameter estimation

Kernel maximum moment restriction (KMMR) recently emerges as a popular framework for instrumental variable (IV) based conditional moment restriction (CMR) models with important applications in conditional moment (CM) testing and parameter estimation for IV regression and proximal causal learning. The effectiveness of this framework, however, depends critically on the choice of a reproducing kernel Hilbert space (RKHS) chosen as a space of instruments. In this work, we presents a systematic way to select the instrument space for parameter estimation based on a principle of the least identifiable instrument space (LIIS) that identifies model parameters with the least space complexity. Our selection criterion combines two distinct objectives to determine such an optimal space: (i) a test criterion to check identifiability; (ii) an information criterion based on the effective dimension of RKHSs as a complexity measure. We analyze the consistency of our method in determining the LIIS, and demonstrate its effectiveness for parameter estimation via simulations.
Securing Secure Aggregation: Mitigating Multi-Round Privacy Leakage in Federated Learning
Authors: Jinhyun So, Ramy E. Ali, Basak Guler, Jiantao Jiao, Salman Avestimehr
Date: 2021-06-07 00:00:00
Tasks: Fairness, Federated Learning

Secure aggregation is a critical component in federated learning (FL), which enables the server to learn the aggregate model of the users without observing their local models. Conventionally, secure aggregation algorithms focus only on ensuring the privacy of individual users in a single training round. We contend that such designs can lead to significant privacy leakages over multiple training rounds, due to partial user selection/participation at each round of FL. In fact, we show that the conventional random user selection strategies in FL lead to leaking users' individual models within number of rounds that is linear in the number of users. To address this challenge, we introduce a secure aggregation framework, Multi-RoundSecAgg, with multi-round privacy guarantees. In particular, we introduce a new metric to quantify the privacy guarantees of FL over multiple training rounds, and develop a structured user selection strategy that guarantees the long-term privacy of each user (over any number of training rounds). Our framework also carefully accounts for the fairness and the average number of participating users at each round. Our experiments on MNIST and CIFAR-10 datasets in the IID and the non-IID settings demonstrate the performance improvement over the baselines, both in terms of privacy protection and test accuracy.
Measuring Generalization with Optimal Transport
Authors: Ching-Yao Chuang, Youssef Mroueh, Kristjan Greenewald, Antonio Torralba, Stefanie Jegelka
Date: 2021-06-07 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Generalization Bounds

Understanding the generalization of deep neural networks is one of the most important tasks in deep learning. Although much progress has been made, theoretical error bounds still often behave disparately from empirical observations. In this work, we develop margin-based generalization bounds, where the margins are normalized with optimal transport costs between independent random subsets sampled from the training distribution. In particular, the optimal transport cost can be interpreted as a generalization of variance which captures the structural properties of the learned feature space. Our bounds robustly predict the generalization error, given training data and network parameters, on large scale datasets. Theoretically, we demonstrate that the concentration and separation of features play crucial roles in generalization, supporting empirical results in the literature. The code is available at \url{https://github.com/chingyaoc/kV-Margin}.
HoroPCA: Hyperbolic Dimensionality Reduction via Horospherical Projections
Authors: Ines Chami, Albert Gu, Dat Nguyen, Christopher Ré
Date: 2021-06-07 00:00:00
Tasks: Dimensionality Reduction

This paper studies Principal Component Analysis (PCA) for data lying in hyperbolic spaces. Given directions, PCA relies on: (1) a parameterization of subspaces spanned by these directions, (2) a method of projection onto subspaces that preserves information in these directions, and (3) an objective to optimize, namely the variance explained by projections. We generalize each of these concepts to the hyperbolic space and propose HoroPCA, a method for hyperbolic dimensionality reduction. By focusing on the core problem of extracting principal directions, HoroPCA theoretically better preserves information in the original data such as distances, compared to previous generalizations of PCA. Empirically, we validate that HoroPCA outperforms existing dimensionality reduction methods, significantly reducing error in distance preservation. As a data whitening method, it improves downstream classification by up to 3.9% compared to methods that don't use whitening. Finally, we show that HoroPCA can be used to visualize hyperbolic data in two dimensions.
Sum of Ranked Range Loss for Supervised Learning
Authors: Shu Hu, Yiming Ying, Xin Wang, Siwei Lyu
Date: 2021-06-07 00:00:00
Tasks: Multi-class Classification, Multi-Label Learning

In forming learning objectives, one oftentimes needs to aggregate a set of individual values to a single output. Such cases occur in the aggregate loss, which combines individual losses of a learning model over each training sample, and in the individual loss for multi-label learning, which combines prediction scores over all class labels. In this work, we introduce the sum of ranked range (SoRR) as a general approach to form learning objectives. A ranked range is a consecutive sequence of sorted values of a set of real numbers. The minimization of SoRR is solved with the difference of convex algorithm (DCA). We explore two applications in machine learning of the minimization of the SoRR framework, namely the AoRR aggregate loss for binary/multi-class classification at the sample level and the TKML individual loss for multi-label/multi-class classification at the label level. A combination loss of AoRR and TKML is proposed as a new learning objective for improving the robustness of multi-label learning in the face of outliers in sample and labels alike. Our empirical results highlight the effectiveness of the proposed optimization frameworks and demonstrate the applicability of proposed losses using synthetic and real data sets.
Stein ICP for Uncertainty Estimation in Point Cloud Matching
Authors: Fahira Afzal Maken, Fabio Ramos, Lionel Ott
Date: 2021-06-07 00:00:00
Tasks: Autonomous Driving, Decision Making, GPU, Pose Estimation, Sensor Fusion, State Estimation, Variational Inference

Quantification of uncertainty in point cloud matching is critical in many tasks such as pose estimation, sensor fusion, and grasping. Iterative closest point (ICP) is a commonly used pose estimation algorithm which provides a point estimate of the transformation between two point clouds. There are many sources of uncertainty in this process that may arise due to sensor noise, ambiguous environment, and occlusion. However, for safety critical problems such as autonomous driving, a point estimate of the pose transformation is not sufficient as it does not provide information about the multiple solutions. Current probabilistic ICP methods usually do not capture all sources of uncertainty and may provide unreliable transformation estimates which can have a detrimental effect in state estimation or decision making tasks that use this information. In this work we propose a new algorithm to align two point clouds that can precisely estimate the uncertainty of ICP's transformation parameters. We develop a Stein variational inference framework with gradient based optimization of ICP's cost function. The method provides a non-parametric estimate of the transformation, can model complex multi-modal distributions, and can be effectively parallelized on a GPU. Experiments using 3D kinect data as well as sparse indoor/outdoor LiDAR data show that our method is capable of efficiently producing accurate pose uncertainty estimates.
Learning MDPs from Features: Predict-Then-Optimize for Sequential Decision Problems by Reinforcement Learning
Authors: Kai Wang, Sanket Shah, Haipeng Chen, Andrew Perrault, Finale Doshi-Velez, Milind Tambe
Date: 2021-06-06 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Reinforcement Learning (RL)

In the predict-then-optimize framework, the objective is to train a predictive model, mapping from environment features to parameters of an optimization problem, which maximizes decision quality when the optimization is subsequently solved. Recent work on decision-focused learning shows that embedding the optimization problem in the training pipeline can improve decision quality and help generalize better to unseen tasks compared to relying on an intermediate loss function for evaluating prediction quality. We study the predict-then-optimize framework in the context of sequential decision problems (formulated as MDPs) that are solved via reinforcement learning. In particular, we are given environment features and a set of trajectories from training MDPs, which we use to train a predictive model that generalizes to unseen test MDPs without trajectories. Two significant computational challenges arise in applying decision-focused learning to MDPs: (i) large state and action spaces make it infeasible for existing techniques to differentiate through MDP problems, and (ii) the high-dimensional policy space, as parameterized by a neural network, makes differentiating through a policy expensive. We resolve the first challenge by sampling provably unbiased derivatives to approximate and differentiate through optimality conditions, and the second challenge by using a low-rank approximation to the high-dimensional sample-based derivatives. We implement both Bellman--based and policy gradient--based decision-focused learning on three different MDP problems with missing parameters, and show that decision-focused learning performs better in generalization to unseen tasks.
Signatured Deep Fictitious Play for Mean Field Games with Common Noise
Authors: Ming Min, Ruimeng Hu
Date: 2021-06-06 00:00:00

Existing deep learning methods for solving mean-field games (MFGs) with common noise fix the sampling common noise paths and then solve the corresponding MFGs. This leads to a nested-loop structure with millions of simulations of common noise paths in order to produce accurate solutions, which results in prohibitive computational cost and limits the applications to a large extent. In this paper, based on the rough path theory, we propose a novel single-loop algorithm, named signatured deep fictitious play, by which we can work with the unfixed common noise setup to avoid the nested-loop structure and reduce the computational complexity significantly. The proposed algorithm can accurately capture the effect of common uncertainty changes on mean-field equilibria without further training of neural networks, as previously needed in the existing machine learning algorithms. The efficiency is supported by three applications, including linear-quadratic MFGs, mean-field portfolio game, and mean-field game of optimal consumption and investment. Overall, we provide a new point of view from the rough path theory to solve MFGs with common noise with significantly improved efficiency and an extensive range of applications. In addition, we report the first deep learning work to deal with extended MFGs (a mean-field interaction via both the states and controls) with common noise.
Structured Reordering for Modeling Latent Alignments in Sequence Transduction
Authors: Bailin Wang, Mirella Lapata, Ivan Titov
Date: 2021-06-06 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Machine Translation, Semantic Parsing, Systematic Generalization, Translation

Despite success in many domains, neural models struggle in settings where train and test examples are drawn from different distributions. In particular, in contrast to humans, conventional sequence-to-sequence (seq2seq) models fail to generalize systematically, i.e., interpret sentences representing novel combinations of concepts (e.g., text segments) seen in training. Traditional grammar formalisms excel in such settings by implicitly encoding alignments between input and output segments, but are hard to scale and maintain. Instead of engineering a grammar, we directly model segment-to-segment alignments as discrete structured latent variables within a neural seq2seq model. To efficiently explore the large space of alignments, we introduce a reorder-first align-later framework whose central component is a neural reordering module producing {\it separable} permutations. We present an efficient dynamic programming algorithm performing exact marginal inference of separable permutations, and, thus, enabling end-to-end differentiable training of our model. The resulting seq2seq model exhibits better systematic generalization than standard models on synthetic problems and NLP tasks (i.e., semantic parsing and machine translation).
Tabular Data: Deep Learning is Not All You Need
Authors: Ravid Shwartz-Ziv, Amitai Armon
Date: 2021-06-06 00:00:00
Proceeding: ICML Workshop AutoML 2021 7
Tasks: All, AutoML, Deep Learning, General Classification

A key element in solving real-life data science problems is selecting the types of models to use. Tree ensemble models (such as XGBoost) are usually recommended for classification and regression problems with tabular data. However, several deep learning models for tabular data have recently been proposed, claiming to outperform XGBoost for some use cases. This paper explores whether these deep models should be a recommended option for tabular data by rigorously comparing the new deep models to XGBoost on various datasets. In addition to systematically comparing their performance, we consider the tuning and computation they require. Our study shows that XGBoost outperforms these deep models across the datasets, including the datasets used in the papers that proposed the deep models. We also demonstrate that XGBoost requires much less tuning. On the positive side, we show that an ensemble of deep models and XGBoost performs better on these datasets than XGBoost alone.
Singular Dynamic Mode Decompositions
Authors: Joel A. Rosenfeld, Rushikesh Kamalapurkar
Date: 2021-06-06 00:00:00

This manuscript is aimed at addressing several long standing limitations of dynamic mode decompositions in the application of Koopman analysis. Principle among these limitations are the convergence of associated Dynamic Mode Decomposition algorithms and the existence of Koopman modes. To address these limitations, two major modifications are made, where Koopman operators are removed from the analysis in light of Liouville operators (known as Koopman generators in special cases), and these operators are shown to be compact for certain pairs of Hilbert spaces selected separately as the domain and range of the operator. While eigenfunctions are discarded in the general analysis, a viable reconstruction algorithm is still demonstrated, and the sacrifice of eigenfunctions realizes the theoretical goals of DMD analysis that have yet to be achieved in other contexts. However, in the case where the domain is embedded in the range, an eigenfunction approach is still achievable, where a more typical DMD routine is established, but that leverages a finite rank representation that converges in norm. The manuscript concludes with the description of two Dynamic Mode Decomposition algorithms that converges when a dense collection of occupation kernels, arising from the data, are leveraged in the analysis.
Neural Active Learning with Performance Guarantees
Authors: Pranjal Awasthi, Christoph Dann, Claudio Gentile, Ayush Sekhari, Zhilei Wang
Date: 2021-06-06 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Active Learning, Model Selection

We investigate the problem of active learning in the streaming setting in non-parametric regimes, where the labels are stochastically generated from a class of functions on which we make no assumptions whatsoever. We rely on recently proposed Neural Tangent Kernel (NTK) approximation tools to construct a suitable neural embedding that determines the feature space the algorithm operates on and the learned model computed atop. Since the shape of the label requesting threshold is tightly related to the complexity of the function to be learned, which is a-priori unknown, we also derive a version of the algorithm which is agnostic to any prior knowledge. This algorithm relies on a regret balancing scheme to solve the resulting online model selection problem, and is computationally efficient. We prove joint guarantees on the cumulative regret and number of requested labels which depend on the complexity of the labeling function at hand. In the linear case, these guarantees recover known minimax results of the generalization error as a function of the label complexity in a standard statistical learning setting.
Graph2Graph Learning with Conditional Autoregressive Models
Authors: Guan Wang, Francois Bernard Lauze, Aasa Feragen
Date: 2021-06-06 00:00:00
Tasks: Graph Classification, Graph Learning, Graph Neural Network

We present a graph neural network model for solving graph-to-graph learning problems. Most deep learning on graphs considers ``simple'' problems such as graph classification or regressing real-valued graph properties. For such tasks, the main requirement for intermediate representations of the data is to maintain the structure needed for output, i.e., keeping classes separated or maintaining the order indicated by the regressor. However, a number of learning tasks, such as regressing graph-valued output, generative models, or graph autoencoders, aim to predict a graph-structured output. In order to successfully do this, the learned representations need to preserve far more structure. We present a conditional auto-regressive model for graph-to-graph learning and illustrate its representational capabilities via experiments on challenging subgraph predictions from graph algorithmics; as a graph autoencoder for reconstruction and visualization; and on pretraining representations that allow graph classification with limited labeled data.
Neural Tangent Kernel Maximum Mean Discrepancy
Authors: Xiuyuan Cheng, Yao Xie
Date: 2021-06-06 00:00:00
Proceeding: NeurIPS 2021 12

We present a novel neural network Maximum Mean Discrepancy (MMD) statistic by identifying a new connection between neural tangent kernel (NTK) and MMD. This connection enables us to develop a computationally efficient and memory-efficient approach to compute the MMD statistic and perform NTK based two-sample tests towards addressing the long-standing challenge of memory and computational complexity of the MMD statistic, which is essential for online implementation to assimilating new samples. Theoretically, such a connection allows us to understand the NTK test statistic properties, such as the Type-I error and testing power for performing the two-sample test, by adapting existing theories for kernel MMD. Numerical experiments on synthetic and real-world datasets validate the theory and demonstrate the effectiveness of the proposed NTK-MMD statistic.
On Memorization in Probabilistic Deep Generative Models
Authors: Gerrit J. J. van den Burg, Christopher K. I. Williams
Date: 2021-06-06 00:00:00
Tasks: Density Estimation, Memorization

Recent advances in deep generative models have led to impressive results in a variety of application domains. Motivated by the possibility that deep learning models might memorize part of the input data, there have been increased efforts to understand how memorization arises. In this work, we extend a recently proposed measure of memorization for supervised learning (Feldman, 2019) to the unsupervised density estimation problem and adapt it to be more computationally efficient. Next, we present a study that demonstrates how memorization can occur in probabilistic deep generative models such as variational autoencoders. This reveals that the form of memorization to which these models are susceptible differs fundamentally from mode collapse and overfitting. Furthermore, we show that the proposed memorization score measures a phenomenon that is not captured by commonly-used nearest neighbor tests. Finally, we discuss several strategies that can be used to limit memorization in practice. Our work thus provides a framework for understanding problematic memorization in probabilistic generative models.