OpenRaiser/Intern-Atlas huggingface dataset:
Integer Programming for Causal Structure Learning in the Presence of Latent Variables
Venue: Conference ICML 2021
Year: 2021

The problem of finding an ancestral acyclic directed mixed graph (ADMG) that represents the causal relationships between a set of variables is an important area of research on causal inference. Most existing score-based structure learning methods focus on learning directed acyclic graph (DAG) models without latent variables. A number of score-based methods have recently been proposed for the ADMG learning, yet they are heuristic in nature and do not guarantee an optimal solution. We propose a novel exact score-based method that solves an integer programming (IP) formulation and returns a score-maximizing ancestral ADMG for a set of continuous variables that follow a multivariate Gaussian distribution. We generalize the state-of-the-art IP model for DAG learning problems and derive new classes of valid inequalities to formulate an IP model for ADMG learning. Empirically, our model can be solved efficiently for medium-sized problems and achieves better accuracy than state-of-the-art score-based methods as well as benchmark constraint-based methods.
Improved Corruption Robust Algorithms for Episodic Reinforcement Learning
Venue: Conference ICML 2021
Year: 2021

We study episodic reinforcement learning under unknown adversarial corruptions in both the rewards and the transition probabilities of the underlying system. We propose new algorithms which, compared to the existing results in (Lykouris et al., 2020), achieve strictly better regret bounds in terms of total corruptions for the tabular setting. To be specific, firstly, our regret bounds depend on more precise numerical values of total rewards corruptions and transition corruptions, instead of only on the total number of corrupted episodes. Secondly, our regret bounds are the first of their kind in the reinforcement learning setting to have the number of corruptions show up additively with respect to $\min\{\sqrt{T}, \text{PolicyGapComplexity}\}$ rather than multiplicatively. Our results follow from a general algorithmic framework that combines corruption-robust policy elimination meta-algorithms, and plug-in reward-free exploration sub-algorithms. Replacing the meta-algorithm or sub-algorithm may extend the framework to address other corrupted settings with potentially more structure.
Scalable Computations of Wasserstein Barycenter via Input Convex Neural Networks
Venue: Conference ICML 2021
Year: 2021

Wasserstein Barycenter is a principled approach to represent the weighted mean of a given set of probability distributions, utilizing the geometry induced by optimal transport. In this work, we present a novel scalable algorithm to approximate the Wasserstein Barycenters aiming at high-dimensional applications in machine learning. Our proposed algorithm is based on the Kantorovich dual formulation of the Wasserstein-2 distance as well as a recent neural network architecture, input convex neural network, that is known to parametrize convex functions. The distinguishing features of our method are: i) it only requires samples from the marginal distributions; ii) unlike the existing approaches, it represents the Barycenter with a generative model and can thus generate infinite samples from the barycenter without querying the marginal distributions; iii) it works similar to Generative Adversarial Model in one marginal case. We demonstrate the efficacy of our algorithm by comparing it with the state-of-art methods in multiple experiments.
Finding the Stochastic Shortest Path with Low Regret: the Adversarial Cost and Unknown Transition Case
Venue: Conference ICML 2021
Year: 2021

We make significant progress toward the stochastic shortest path problem with adversarial costs and unknown transition. Specifically, we develop algorithms that achieve $\widetilde{O}(\sqrt{S^2ADT_\star K})$ regret for the full-information setting and $\widetilde{O}(\sqrt{S^3A^2DT_\star K})$ regret for the bandit feedback setting, where $D$ is the diameter, $T_\star$ is the expected hitting time of the optimal policy, $S$ is the number of states, $A$ is the number of actions, and $K$ is the number of episodes. Our work strictly improves (Rosenberg and Mansour, 2020) in the full information setting, extends (Chen et al., 2020) from known transition to unknown transition, and is also the first to consider the most challenging combination: bandit feedback with adversarial costs and unknown transition. To remedy the gap between our upper bounds and the current best lower bounds constructed via a stochastically oblivious adversary, we also propose algorithms with near-optimal regret for this special case.
SpreadsheetCoder: Formula Prediction from Semi-structured Context
Venue: Conference ICML 2021
Year: 2021

Spreadsheet formula prediction has been an important program synthesis problem with many real-world applications. Previous works typically utilize input-output examples as the specification for spreadsheet formula synthesis, where each input-output pair simulates a separate row in the spreadsheet. However, this formulation does not fully capture the rich context in real-world spreadsheets. First, spreadsheet data entries are organized as tables, thus rows and columns are not necessarily independent from each other. In addition, many spreadsheet tables include headers, which provide high-level descriptions of the cell data. However, previous synthesis approaches do not consider headers as part of the specification. In this work, we present the first approach for synthesizing spreadsheet formulas from tabular context, which includes both headers and semi-structured tabular data. In particular, we propose SpreadsheetCoder, a BERT-based model architecture to represent the tabular context in both row-based and column-based formats. We train our model on a large dataset of spreadsheets, and demonstrate that SpreadsheetCoder achieves top-1 prediction accuracy of 42.51%, which is a considerable improvement over baselines that do not employ rich tabular context. Compared to the rule-based system, SpreadsheetCoder assists 82% more users in composing formulas on Google Sheets.
A Unified Lottery Ticket Hypothesis for Graph Neural Networks
Venue: Conference ICML 2021
Year: 2021

With graphs rapidly growing in size and deeper graph neural networks (GNNs) emerging, the training and inference of GNNs become increasingly expensive. Existing network weight pruning algorithms cannot address the main space and computational bottleneck in GNNs, caused by the size and connectivity of the graph. To this end, this paper first presents a unified GNN sparsification (UGS) framework that simultaneously prunes the graph adjacency matrix and the model weights, for effectively accelerating GNN inference on large-scale graphs. Leveraging this new tool, we further generalize the recently popular lottery ticket hypothesis to GNNs for the first time, by defining a graph lottery ticket (GLT) as a pair of core sub-dataset and sparse sub-network, which can be jointly identified from the original GNN and the full dense graph by iteratively applying UGS. Like its counterpart in convolutional neural networks, GLT can be trained in isolation to match the performance of training with the full model and graph, and can be drawn from both randomly initialized and self-supervised pre-trained GNNs. Our proposal has been experimentally verified across various GNN architectures and diverse tasks, on both small-scale graph datasets (Cora, Citeseer and PubMed), and large-scale datasets from the challenging Open Graph Benchmark (OGB). Specifically, for node classification, our found GLTs achieve the same accuracies with 20%~98% MACs saving on small graphs and 25%~85% MACs saving on large ones. For link prediction, GLTs lead to 48%~97% and 70% MACs saving on small and large graph datasets, respectively, without compromising predictive performance. Codes available at https://github.com/VITA-Group/Unified-LTH-GNN.
Z-GCNETs: Time Zigzags at Graph Convolutional Networks for Time Series Forecasting
Venue: Conference ICML 2021
Year: 2021

There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.
Data-driven Prediction of General Hamiltonian Dynamics via Learning Exactly-Symplectic Maps
Venue: Conference ICML 2021
Year: 2021

We consider the learning and prediction of nonlinear time series generated by a latent symplectic map. A special case is (not necessarily separable) Hamiltonian systems, whose solution flows give such symplectic maps. For this special case, both generic approaches based on learning the vector field of the latent ODE and specialized approaches based on learning the Hamiltonian that generates the vector field exist. Our method, however, is different as it does not rely on the vector field nor assume its existence; instead, it directly learns the symplectic evolution map in discrete time. Moreover, we do so by representing the symplectic map via a generating function, which we approximate by a neural network (hence the name GFNN). This way, our approximation of the evolution map is always \emph{exactly} symplectic. This additional geometric structure allows the local prediction error at each step to accumulate in a controlled fashion, and we will prove, under reasonable assumptions, that the global prediction error grows at most \emph{linearly} with long prediction time, which significantly improves an otherwise exponential growth. In addition, as a map-based and thus purely data-driven method, GFNN avoids two additional sources of inaccuracies common in vector-field based approaches, namely the error in approximating the vector field by finite difference of the data, and the error in numerical integration of the vector field for making predictions. Numerical experiments further demonstrate our claims.
Analysis of stochastic Lanczos quadrature for spectrum approximation
Venue: Conference ICML 2021
Year: 2021

The cumulative empirical spectral measure (CESM) $Φ[\mathbf{A}] : \mathbb{R} \to [0,1]$ of a $n\times n$ symmetric matrix $\mathbf{A}$ is defined as the fraction of eigenvalues of $\mathbf{A}$ less than a given threshold, i.e., $Φ[\mathbf{A}](x) := \sum_{i=1}^{n} \frac{1}{n} {\large\unicode{x1D7D9}}[ λ_i[\mathbf{A}]\leq x]$. Spectral sums $\operatorname{tr}(f[\mathbf{A}])$ can be computed as the Riemann--Stieltjes integral of $f$ against $Φ[\mathbf{A}]$, so the task of estimating CESM arises frequently in a number of applications, including machine learning. We present an error analysis for stochastic Lanczos quadrature (SLQ). We show that SLQ obtains an approximation to the CESM within a Wasserstein distance of $t \: | λ_{\text{max}}[\mathbf{A}] - λ_{\text{min}}[\mathbf{A}] |$ with probability at least $1-η$, by applying the Lanczos algorithm for $\lceil 12 t^{-1} + \frac{1}{2} \rceil$ iterations to $\lceil 4 ( n+2 )^{-1}t^{-2} \ln(2nη^{-1}) \rceil$ vectors sampled independently and uniformly from the unit sphere. We additionally provide (matrix-dependent) a posteriori error bounds for the Wasserstein and Kolmogorov--Smirnov distances between the output of this algorithm and the true CESM. The quality of our bounds is demonstrated using numerical experiments.
Large-Scale Multi-Agent Deep FBSDEs
Venue: Conference ICML 2021
Year: 2021

In this paper we present a scalable deep learning framework for finding Markovian Nash Equilibria in multi-agent stochastic games using fictitious play. The motivation is inspired by theoretical analysis of Forward Backward Stochastic Differential Equations (FBSDE) and their implementation in a deep learning setting, which is the source of our algorithm's sample efficiency improvement. By taking advantage of the permutation-invariant property of agents in symmetric games, the scalability and performance is further enhanced significantly. We showcase superior performance of our framework over the state-of-the-art deep fictitious play algorithm on an inter-bank lending/borrowing problem in terms of multiple metrics. More importantly, our approach scales up to 3000 agents in simulation, a scale which, to the best of our knowledge, represents a new state-of-the-art. We also demonstrate the applicability of our framework in robotics on a belief space autonomous racing problem.
Cyclically Equivariant Neural Decoders for Cyclic Codes
Venue: Conference ICML 2021
Year: 2021

Neural decoders were introduced as a generalization of the classic Belief Propagation (BP) decoding algorithms, where the Trellis graph in the BP algorithm is viewed as a neural network, and the weights in the Trellis graph are optimized by training the neural network. In this work, we propose a novel neural decoder for cyclic codes by exploiting their cyclically invariant property. More precisely, we impose a shift invariant structure on the weights of our neural decoder so that any cyclic shift of inputs results in the same cyclic shift of outputs. Extensive simulations with BCH codes and punctured Reed-Muller (RM) codes show that our new decoder consistently outperforms previous neural decoders when decoding cyclic codes. Finally, we propose a list decoding procedure that can significantly reduce the decoding error probability for BCH codes and punctured RM codes. For certain high-rate codes, the gap between our list decoder and the Maximum Likelihood decoder is less than $0.1$dB. Code available at https://github.com/cyclicallyneuraldecoder/CyclicallyEquivariantNeuralDecoders
Accelerating Gossip SGD with Periodic Global Averaging
Venue: Conference ICML 2021
Year: 2021

Communication overhead hinders the scalability of large-scale distributed training. Gossip SGD, where each node averages only with its neighbors, is more communication-efficient than the prevalent parallel SGD. However, its convergence rate is reversely proportional to quantity $1-β$ which measures the network connectivity. On large and sparse networks where $1-β\to 0$, Gossip SGD requires more iterations to converge, which offsets against its communication benefit. This paper introduces Gossip-PGA, which adds Periodic Global Averaging into Gossip SGD. Its transient stage, i.e., the iterations required to reach asymptotic linear speedup stage, improves from $Ω(β^4 n^3/(1-β)^4)$ to $Ω(β^4 n^3 H^4)$ for non-convex problems. The influence of network topology in Gossip-PGA can be controlled by the averaging period $H$. Its transient-stage complexity is also superior to Local SGD which has order $Ω(n^3 H^4)$. Empirical results of large-scale training on image classification (ResNet50) and language modeling (BERT) validate our theoretical findings.
ActNN: Reducing Training Memory Footprint via 2-Bit Activation Compressed Training
Venue: Conference ICML 2021
Year: 2021

The increasing size of neural network models has been critical for improvements in their accuracy, but device memory is not growing at the same rate. This creates fundamental challenges for training neural networks within limited memory environments. In this work, we propose ActNN, a memory-efficient training framework that stores randomly quantized activations for back propagation. We prove the convergence of ActNN for general network architectures, and we characterize the impact of quantization on the convergence via an exact expression for the gradient variance. Using our theory, we propose novel mixed-precision quantization strategies that exploit the activation's heterogeneity across feature dimensions, samples, and layers. These techniques can be readily applied to existing dynamic graph frameworks, such as PyTorch, simply by substituting the layers. We evaluate ActNN on mainstream computer vision models for classification, detection, and segmentation tasks. On all these tasks, ActNN compresses the activation to 2 bits on average, with negligible accuracy loss. ActNN reduces the memory footprint of the activation by 12x, and it enables training with a 6.6x to 14x larger batch size.
SPADE: A Spectral Method for Black-Box Adversarial Robustness Evaluation
Venue: Conference ICML 2021
Year: 2021

A black-box spectral method is introduced for evaluating the adversarial robustness of a given machine learning (ML) model. Our approach, named SPADE, exploits bijective distance mapping between the input/output graphs constructed for approximating the manifolds corresponding to the input/output data. By leveraging the generalized Courant-Fischer theorem, we propose a SPADE score for evaluating the adversarial robustness of a given model, which is proved to be an upper bound of the best Lipschitz constant under the manifold setting. To reveal the most non-robust data samples highly vulnerable to adversarial attacks, we develop a spectral graph embedding procedure leveraging dominant generalized eigenvectors. This embedding step allows assigning each data sample a robustness score that can be further harnessed for more effective adversarial training. Our experiments show the proposed SPADE method leads to promising empirical results for neural network models that are adversarially trained with the MNIST and CIFAR-10 data sets.
Self-supervised and Supervised Joint Training for Resource-rich Machine Translation
Venue: Conference ICML 2021
Year: 2021

Self-supervised pre-training of text representations has been successfully applied to low-resource Neural Machine Translation (NMT). However, it usually fails to achieve notable gains on resource-rich NMT. In this paper, we propose a joint training approach, $F_2$-XEnDec, to combine self-supervised and supervised learning to optimize NMT models. To exploit complementary self-supervised signals for supervised learning, NMT models are trained on examples that are interbred from monolingual and parallel sentences through a new process called crossover encoder-decoder. Experiments on two resource-rich translation benchmarks, WMT'14 English-German and WMT'14 English-French, demonstrate that our approach achieves substantial improvements over several strong baseline methods and obtains a new state of the art of 46.19 BLEU on English-French when incorporating back translation. Results also show that our approach is capable of improving model robustness to input perturbations such as code-switching noise which frequently appears on social media.
Exact Optimization of Conformal Predictors via Incremental and Decremental Learning
Venue: Conference ICML 2021
Year: 2021

Conformal Predictors (CP) are wrappers around ML models, providing error guarantees under weak assumptions on the data distribution. They are suitable for a wide range of problems, from classification and regression to anomaly detection. Unfortunately, their very high computational complexity limits their applicability to large datasets. In this work, we show that it is possible to speed up a CP classifier considerably, by studying it in conjunction with the underlying ML method, and by exploiting incremental&decremental learning. For methods such as k-NN, KDE, and kernel LS-SVM, our approach reduces the running time by one order of magnitude, whilst producing exact solutions. With similar ideas, we also achieve a linear speed up for the harder case of bootstrapping. Finally, we extend these techniques to improve upon an optimization of k-NN CP for regression. We evaluate our findings empirically, and discuss when methods are suitable for CP optimization.
Online Optimization in Games via Control Theory: Connecting Regret, Passivity and Poincaré Recurrence
Venue: Conference ICML 2021
Year: 2021

We present a novel control-theoretic understanding of online optimization and learning in games, via the notion of passivity. Passivity is a fundamental concept in control theory, which abstracts energy conservation and dissipation in physical systems. It has become a standard tool in analysis of general feedback systems, to which game dynamics belong. Our starting point is to show that all continuous-time Follow-the-Regularized-Leader (FTRL) dynamics, which include the well-known Replicator Dynamic, are lossless, i.e. it is passive with no energy dissipation. Interestingly, we prove that passivity implies bounded regret, connecting two fundamental primitives of control theory and online optimization. The observation of energy conservation in FTRL inspires us to present a family of lossless learning dynamics, each of which has an underlying energy function with a simple gradient structure. This family is closed under convex combination; as an immediate corollary, any convex combination of FTRL dynamics is lossless and thus has bounded regret. This allows us to extend the framework of Fox and Shamma [Games, 2013] to prove not just global asymptotic stability results for game dynamics, but Poincaré recurrence results as well. Intuitively, when a lossless game (e.g. graphical constant-sum game) is coupled with lossless learning dynamics, their feedback interconnection is also lossless, which results in a pendulum-like energy-preserving recurrent behavior, generalizing the results of Piliouras and Shamma [SODA, 2014] and Mertikopoulos, Papadimitriou and Piliouras [SODA, 2018].
Understanding and Mitigating Accuracy Disparity in Regression
Venue: Conference ICML 2021
Year: 2021

With the widespread deployment of large-scale prediction systems in high-stakes domains, e.g., face recognition, criminal justice, etc., disparity in prediction accuracy between different demographic subgroups has called for fundamental understanding on the source of such disparity and algorithmic intervention to mitigate it. In this paper, we study the accuracy disparity problem in regression. To begin with, we first propose an error decomposition theorem, which decomposes the accuracy disparity into the distance between marginal label distributions and the distance between conditional representations, to help explain why such accuracy disparity appears in practice. Motivated by this error decomposition and the general idea of distribution alignment with statistical distances, we then propose an algorithm to reduce this disparity, and analyze its game-theoretic optima of the proposed objective functions. To corroborate our theoretical findings, we also conduct experiments on five benchmark datasets. The experimental results suggest that our proposed algorithms can effectively mitigate accuracy disparity while maintaining the predictive power of the regression models.