mtybilly/Instruct2DS huggingface dataset:
Grad-TTS: A Diffusion Probabilistic Model for Text-to-Speech
Authors: Vadim Popov, Ivan Vovk, Vladimir Gogoryan, Tasnima Sadekova, Mikhail Kudinov
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Recently, denoising diffusion probabilistic models and generative score matching have shown high potential in modelling complex data distributions while stochastic calculus has provided a unified point of view on these techniques allowing for flexible inference schemes. In this paper we introduce Grad-TTS, a novel text-to-speech model with score-based decoder producing mel-spectrograms by gradually transforming noise predicted by encoder and aligned with text input by means of Monotonic Alignment Search. The framework of stochastic differential equations helps us to generalize conventional diffusion probabilistic models to the case of reconstructing data from noise with different parameters and allows to make this reconstruction flexible by explicitly controlling trade-off between sound quality and inference speed. Subjective human evaluation shows that Grad-TTS is competitive with state-of-the-art text-to-speech approaches in terms of Mean Opinion Score.
Bias-Free Scalable Gaussian Processes via Randomized Truncations
Authors: Andres Potapczynski, Luhuan Wu, Dan Biderman, Geoff Pleiss, John P Cunningham
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Scalable Gaussian Process methods are computationally attractive, yet introduce modeling biases that require rigorous study. This paper analyzes two common techniques: early truncated conjugate gradients (CG) and random Fourier features (RFF). We find that both methods introduce a systematic bias on the learned hyperparameters: CG tends to underfit while RFF tends to overfit. We address these issues using randomized truncation estimators that eliminate bias in exchange for increased variance. In the case of RFF, we show that the bias-to-variance conversion is indeed a trade-off: the additional variance proves detrimental to optimization. However, in the case of CG, our unbiased learning procedure meaningfully outperforms its biased counterpart with minimal additional computation. Our code is available at https://github.com/ cunningham-lab/RTGPS.
Dense for the Price of Sparse: Improved Performance of Sparsely Initialized Networks via a Subspace Offset
Authors: Ilan Price, Jared Tanner
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: That neural networks may be pruned to high sparsities and retain high accuracy is well established. Recent research efforts focus on pruning immediately after initialization so as to allow the computational savings afforded by sparsity to extend to the training process. In this work, we introduce a new ‘DCT plus Sparse’ layer architecture, which maintains information propagation and trainability even with as little as 0.01% trainable parameters remaining. We show that standard training of networks built with these layers, and pruned at initialization, achieves state-of-the-art accuracy for extreme sparsities on a variety of benchmark network architectures and datasets. Moreover, these results are achieved using only simple heuristics to determine the locations of the trainable parameters in the network, and thus without having to initially store or compute with the full, unpruned network, as is required by competing prune-at-initialization algorithms. Switching from standard sparse layers to DCT plus Sparse layers does not increase the storage footprint of a network and incurs only a small additional computational overhead.
BANG: Bridging Autoregressive and Non-autoregressive Generation with Large Scale Pretraining
Authors: Weizhen Qi, Yeyun Gong, Jian Jiao, Yu Yan, Weizhu Chen, Dayiheng Liu, Kewen Tang, Houqiang Li, Jiusheng Chen, Ruofei Zhang, Ming Zhou, Nan Duan
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: In this paper, we propose BANG, a new pretraining model to Bridge the gap between Autoregressive (AR) and Non-autoregressive (NAR) Generation. AR and NAR generation can be uniformly regarded as to what extent previous tokens can be attended, and BANG bridges AR and NAR generation through designing a novel model structure for large-scale pre-training. A pretrained BANG model can simultaneously support AR, NAR, and semi-NAR generation to meet different requirements. Experiments on question generation (SQuAD 1.1), summarization (XSum), and dialogue generation (PersonaChat) show that BANG improves NAR and semi-NAR performance significantly as well as attaining comparable performance with strong AR pretrained models. Compared with the semi-NAR strong baselines, BANG achieves absolute improvements of 14.01 and 5.24 in the overall scores of SQuAD 1.1 and XSum, respectively. In addition, BANG achieves absolute improvements of 10.73, 6.39, and 5.90 in the overall scores of SQuAD, XSUM, and PersonaChat compared with the NAR strong baselines, respectively. Our code will be made publicly available.
A Probabilistic Approach to Neural Network Pruning
Authors: Xin Qian, Diego Klabjan
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Neural network pruning techniques reduce the number of parameters without compromising predicting ability of a network. Many algorithms have been developed for pruning both over-parameterized fully-connected networks (FCN) and convolutional neural networks (CNN), but analytical studies of capabilities and compression ratios of such pruned sub-networks are lacking. We theoretically study the performance of two pruning techniques (random and magnitude-based) on FCN and CNN. Given a target network, we provide a universal approach to bound the gap between a pruned and the target network in a probabilistic sense, which is the first study of this nature. The results establish that there exist pruned networks with expressive power within any specified bound from the target network and with a significant compression ratio.
Global Prosody Style Transfer Without Text Transcriptions
Authors: Kaizhi Qian, Yang Zhang, Shiyu Chang, Jinjun Xiong, Chuang Gan, David Cox, Mark Hasegawa-Johnson
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Prosody plays an important role in characterizing the style of a speaker or an emotion, but most non-parallel voice or emotion style transfer algorithms do not convert any prosody information. Two major components of prosody are pitch and rhythm. Disentangling the prosody information, particularly the rhythm component, from the speech is challenging because it involves breaking the synchrony between the input speech and the disentangled speech representation. As a result, most existing prosody style transfer algorithms would need to rely on some form of text transcriptions to identify the content information, which confines their application to high-resource languages only. Recently, SpeechSplit has made sizeable progress towards unsupervised prosody style transfer, but it is unable to extract high-level global prosody style in an unsupervised manner. In this paper, we propose AutoPST, which can disentangle global prosody style from speech without relying on any text transcriptions. AutoPST is an Autoencoder-based Prosody Style Transfer framework with a thorough rhythm removal module guided by the self-expressive representation learning. Experiments on different style transfer tasks show that AutoPST can effectively convert prosody that correctly reflects the styles of the target domains.
Efficient Differentiable Simulation of Articulated Bodies
Authors: Yi-Ling Qiao, Junbang Liang, Vladlen Koltun, Ming C Lin
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: We present a method for efficient differentiable simulation of articulated bodies. This enables integration of articulated body dynamics into deep learning frameworks, and gradient-based optimization of neural networks that operate on articulated bodies. We derive the gradients of the contact solver using spatial algebra and the adjoint method. Our approach is an order of magnitude faster than autodiff tools. By only saving the initial states throughout the simulation process, our method reduces memory requirements by two orders of magnitude. We demonstrate the utility of efficient differentiable dynamics for articulated bodies in a variety of applications. We show that reinforcement learning with articulated systems can be accelerated using gradients provided by our method. In applications to control and inverse problems, gradient-based optimization enabled by our work accelerates convergence by more than an order of magnitude.
Oneshot Differentially Private Top-k Selection
Authors: Gang Qiao, Weijie Su, Li Zhang
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Being able to efficiently and accurately select the top-$k$ elements with differential privacy is an integral component of various private data analysis tasks. In this paper, we present the oneshot Laplace mechanism, which generalizes the well-known Report Noisy Max i̧tedwork2014algorithmic mechanism to reporting noisy top-$k$ elements. We show that the oneshot Laplace mechanism with a noise level of $\widetildeO(\sqrtk/\eps)$ is approximately differentially private. Compared to the previous peeling approach of running Report Noisy Max $k$ times, the oneshot Laplace mechanism only adds noises and computes the top $k$ elements once, hence much more efficient for large $k$. In addition, our proof of privacy relies on a novel coupling technique that bypasses the composition theorems so without the linear dependence on $k$ which is inherent to various composition theorems. Finally, we present a novel application of efficient top-$k$ selection in the classical problem of ranking from pairwise comparisons.
Density Constrained Reinforcement Learning
Authors: Zengyi Qin, Yuxiao Chen, Chuchu Fan
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: We study constrained reinforcement learning (CRL) from a novel perspective by setting constraints directly on state density functions, rather than the value functions considered by previous works. State density has a clear physical and mathematical interpretation, and is able to express a wide variety of constraints such as resource limits and safety requirements. Density constraints can also avoid the time-consuming process of designing and tuning cost functions required by value function-based constraints to encode system specifications. We leverage the duality between density functions and Q functions to develop an effective algorithm to solve the density constrained RL problem optimally and the constrains are guaranteed to be satisfied. We prove that the proposed algorithm converges to a near-optimal solution with a bounded error even when the policy update is imperfect. We use a set of comprehensive experiments to demonstrate the advantages of our approach over state-of-the-art CRL methods, with a wide range of density constrained tasks as well as standard CRL benchmarks such as Safety-Gym.
Budgeted Heterogeneous Treatment Effect Estimation
Authors: Tian Qin, Tian-Zuo Wang, Zhi-Hua Zhou
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Heterogeneous treatment effect (HTE) estimation is receiving increasing interest due to its important applications in fields such as healthcare, economics, and education. Current HTE estimation methods generally assume the existence of abundant observational data, though the acquisition of such data can be costly. In some real scenarios, it is easy to access the pre-treatment covariates and treatment assignments, but expensive to obtain the factual outcomes. To make HTE estimation more practical, in this paper, we examine the problem of estimating HTEs with a budget constraint on observational data, aiming to obtain accurate HTE estimates with limited costs. By deriving an informative generalization bound and connecting to active learning, we propose an effective and efficient method which is validated both theoretically and empirically.
Neural Transformation Learning for Deep Anomaly Detection Beyond Images
Authors: Chen Qiu, Timo Pfrommer, Marius Kloft, Stephan Mandt, Maja Rudolph
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Data transformations (e.g. rotations, reflections, and cropping) play an important role in self-supervised learning. Typically, images are transformed into different views, and neural networks trained on tasks involving these views produce useful feature representations for downstream tasks, including anomaly detection. However, for anomaly detection beyond image data, it is often unclear which transformations to use. Here we present a simple end-to-end procedure for anomaly detection with learnable transformations. The key idea is to embed the transformed data into a semantic space such that the transformed data still resemble their untransformed form, while different transformations are easily distinguishable. Extensive experiments on time series show that our proposed method outperforms existing approaches in the one-vs.-rest setting and is competitive in the more challenging n-vs.-rest anomaly-detection task. On medical and cyber-security tabular data, our method learns domain-specific transformations and detects anomalies more accurately than previous work.
Provably Efficient Fictitious Play Policy Optimization for Zero-Sum Markov Games with Structured Transitions
Authors: Shuang Qiu, Xiaohan Wei, Jieping Ye, Zhaoran Wang, Zhuoran Yang
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: While single-agent policy optimization in a fixed environment has attracted a lot of research attention recently in the reinforcement learning community, much less is known theoretically when there are multiple agents playing in a potentially competitive environment. We take steps forward by proposing and analyzing new fictitious play policy optimization algorithms for two-player zero-sum Markov games with structured but unknown transitions. We consider two classes of transition structures: factored independent transition and single-controller transition. For both scenarios, we prove tight $\widetilde\mathcalO(\sqrtT)$ regret bounds after $T$ steps in a two-agent competitive game scenario. The regret of each player is measured against a potentially adversarial opponent who can choose a single best policy in hindsight after observing the full policy sequence. Our algorithms feature a combination of Upper Confidence Bound (UCB)-type optimism and fictitious play under the scope of simultaneous policy optimization in a non-stationary environment. When both players adopt the proposed algorithms, their overall optimality gap is $\widetilde\mathcalO(\sqrtT)$.
Optimization Planning for 3D ConvNets
Authors: Zhaofan Qiu, Ting Yao, Chong-Wah Ngo, Tao Mei
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: It is not trivial to optimally learn a 3D Convolutional Neural Networks (3D ConvNets) due to high complexity and various options of the training scheme. The most common hand-tuning process starts from learning 3D ConvNets using short video clips and then is followed by learning long-term temporal dependency using lengthy clips, while gradually decaying the learning rate from high to low as training progresses. The fact that such process comes along with several heuristic settings motivates the study to seek an optimal "path" to automate the entire training. In this paper, we decompose the path into a series of training "states" and specify the hyper-parameters, e.g., learning rate and the length of input clips, in each state. The estimation of the knee point on the performance-epoch curve triggers the transition from one state to another. We perform dynamic programming over all the candidate states to plan the optimal permutation of states, i.e., optimization path. Furthermore, we devise a new 3D ConvNets with a unique design of dual-head classifier to improve spatial and temporal discrimination. Extensive experiments on seven public video recognition benchmarks demonstrate the advantages of our proposal. With the optimization planning, our 3D ConvNets achieves superior results when comparing to the state-of-the-art recognition methods. More remarkably, we obtain the top-1 accuracy of 80.5% and 82.7% on Kinetics-400 and Kinetics-600 datasets, respectively.
On Reward-Free RL with Kernel and Neural Function Approximations: Single-Agent MDP and Markov Game
Authors: Shuang Qiu, Jieping Ye, Zhaoran Wang, Zhuoran Yang
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: To achieve sample efficiency in reinforcement learning (RL), it necessitates to efficiently explore the underlying environment. Under the offline setting, addressing the exploration challenge lies in collecting an offline dataset with sufficient coverage. Motivated by such a challenge, we study the reward-free RL problem, where an agent aims to thoroughly explore the environment without any pre-specified reward function. Then, given any extrinsic reward, the agent computes the optimal policy via offline RL with data collected in the exploration stage. Moreover, we tackle this problem under the context of function approximation, leveraging powerful function approximators. Specifically, we propose to explore via an optimistic variant of the value-iteration algorithm incorporating kernel and neural function approximations, where we adopt the associated exploration bonus as the exploration reward. Moreover, we design exploration and planning algorithms for both single-agent MDPs and zero-sum Markov games and prove that our methods can achieve $\widetilde\mathcalO(1 /ɛ^2)$ sample complexity for generating a $ɛ$-suboptimal policy or $ɛ$-approximate Nash equilibrium when given an arbitrary extrinsic reward. To the best of our knowledge, we establish the first provably efficient reward-free RL algorithm with kernel and neural function approximators.
Learning Transferable Visual Models From Natural Language Supervision
Authors: Alec Radford, Jong Wook Kim, Chris Hallacy, Aditya Ramesh, Gabriel Goh, Sandhini Agarwal, Girish Sastry, Amanda Askell, Pamela Mishkin, Jack Clark, Gretchen Krueger, Ilya Sutskever
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: State-of-the-art computer vision systems are trained to predict a fixed set of predetermined object categories. This restricted form of supervision limits their generality and usability since additional labeled data is needed to specify any other visual concept. Learning directly from raw text about images is a promising alternative which leverages a much broader source of supervision. We demonstrate that the simple pre-training task of predicting which caption goes with which image is an efficient and scalable way to learn SOTA image representations from scratch on a dataset of 400 million (image, text) pairs collected from the internet. After pre-training, natural language is used to reference learned visual concepts (or describe new ones) enabling zero-shot transfer of the model to downstream tasks. We study the performance of this approach by benchmarking on over 30 different existing computer vision datasets, spanning tasks such as OCR, action recognition in videos, geo-localization, and many types of fine-grained object classification. The model transfers non-trivially to most tasks and is often competitive with a fully supervised baseline without the need for any dataset specific training. For instance, we match the accuracy of the original ResNet-50 on ImageNet zero-shot without needing to use any of the 1.28 million training examples it was trained on.
A General Framework For Detecting Anomalous Inputs to DNN Classifiers
Authors: Jayaram Raghuram, Varun Chandrasekaran, Somesh Jha, Suman Banerjee
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Detecting anomalous inputs, such as adversarial and out-of-distribution (OOD) inputs, is critical for classifiers (including deep neural networks or DNNs) deployed in real-world applications. While prior works have proposed various methods to detect such anomalous samples using information from the internal layer representations of a DNN, there is a lack of consensus on a principled approach for the different components of such a detection method. As a result, often heuristic and one-off methods are applied for different aspects of this problem. We propose an unsupervised anomaly detection framework based on the internal DNN layer representations in the form of a meta-algorithm with configurable components. We proceed to propose specific instantiations for each component of the meta-algorithm based on ideas grounded in statistical testing and anomaly detection. We evaluate the proposed methods on well-known image classification datasets with strong adversarial attacks and OOD inputs, including an adaptive attack that uses the internal layer representations of the DNN (often not considered in prior work). Comparisons with five recently-proposed competing detection methods demonstrates the effectiveness of our method in detecting adversarial and OOD inputs.
Towards Open Ad Hoc Teamwork Using Graph-based Policy Learning
Authors: Muhammad A Rahman, Niklas Hopner, Filippos Christianos, Stefano V Albrecht
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Ad hoc teamwork is the challenging problem of designing an autonomous agent which can adapt quickly to collaborate with teammates without prior coordination mechanisms, including joint training. Prior work in this area has focused on closed teams in which the number of agents is fixed. In this work, we consider open teams by allowing agents with different fixed policies to enter and leave the environment without prior notification. Our solution builds on graph neural networks to learn agent models and joint-action value models under varying team compositions. We contribute a novel action-value computation that integrates the agent model and joint-action value model to produce action-value estimates. We empirically demonstrate that our approach successfully models the effects other agents have on the learner, leading to policies that robustly adapt to dynamic team compositions and significantly outperform several alternative methods.
Decoupling Value and Policy for Generalization in Reinforcement Learning
Authors: Roberta Raileanu, Rob Fergus
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Standard deep reinforcement learning algorithms use a shared representation for the policy and value function, especially when training directly from images. However, we argue that more information is needed to accurately estimate the value function than to learn the optimal policy. Consequently, the use of a shared representation for the policy and value function can lead to overfitting. To alleviate this problem, we propose two approaches which are combined to create IDAAC: Invariant Decoupled Advantage Actor-Critic. First, IDAAC decouples the optimization of the policy and value function, using separate networks to model them. Second, it introduces an auxiliary loss which encourages the representation to be invariant to task-irrelevant properties of the environment. IDAAC shows good generalization to unseen environments, achieving a new state-of-the-art on the Procgen benchmark and outperforming popular methods on DeepMind Control tasks with distractors. Our implementation is available at https://github.com/rraileanu/idaac.
Hierarchical Clustering of Data Streams: Scalable Algorithms and Approximation Guarantees
Authors: Anand Rajagopalan, Fabio Vitale, Danny Vainstein, Gui Citovsky, Cecilia M Procopiuc, Claudio Gentile
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: We investigate the problem of hierarchically clustering data streams containing metric data in R^d. We introduce a desirable invariance property for such algorithms, describe a general family of hyperplane-based methods enjoying this property, and analyze two scalable instances of this general family against recently popularized similarity/dissimilarity-based metrics for hierarchical clustering. We prove a number of new results related to the approximation ratios of these algorithms, improving in various ways over the literature on this subject. Finally, since our algorithms are principled but also very practical, we carry out an experimental comparison on both synthetic and real-world datasets showing competitive results against known baselines.
Differentially Private Sliced Wasserstein Distance
Authors: Alain Rakotomamonjy, Ralaivola Liva
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Developing machine learning methods that are privacy preserving is today a central topic of research, with huge practical impacts. Among the numerous ways to address privacy-preserving learning, we here take the perspective of computing the divergences between distributions under the Differential Privacy (DP) framework — being able to compute divergences between distributions is pivotal for many machine learning problems, such as learning generative models or domain adaptation problems. Instead of resorting to the popular gradient-based sanitization method for DP, we tackle the problem at its roots by focusing on the Sliced Wasserstein Distance and seamlessly making it differentially private. Our main contribution is as follows: we analyze the property of adding a Gaussian perturbation to the intrinsic randomized mechanism of the Sliced Wasserstein Distance, and we establish the sensitivity of the resulting differentially private mechanism. One of our important findings is that this DP mechanism transforms the Sliced Wasserstein distance into another distance, that we call the Smoothed Sliced Wasserstein Distance. This new differentially private distribution distance can be plugged into generative models and domain adaptation algorithms in a transparent way, and we empirically show that it yields highly competitive performance compared with gradient-based DP approaches from the literature, with almost no loss in accuracy for the domain adaptation problems that we consider.
Zero-Shot Text-to-Image Generation
Authors: Aditya Ramesh, Mikhail Pavlov, Gabriel Goh, Scott Gray, Chelsea Voss, Alec Radford, Mark Chen, Ilya Sutskever
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Text-to-image generation has traditionally focused on finding better modeling assumptions for training on a fixed dataset. These assumptions might involve complex architectures, auxiliary losses, or side information such as object part labels or segmentation masks supplied during training. We describe a simple approach for this task based on a transformer that autoregressively models the text and image tokens as a single stream of data. With sufficient data and scale, our approach is competitive with previous domain-specific models when evaluated in a zero-shot fashion.
End-to-End Learning of Coherent Probabilistic Forecasts for Hierarchical Time Series
Authors: Syama Sundar Rangapuram, Lucien D Werner, Konstantinos Benidis, Pedro Mercado, Jan Gasthaus, Tim Januschowski
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: This paper presents a novel approach for hierarchical time series forecasting that produces coherent, probabilistic forecasts without requiring any explicit post-processing reconciliation. Unlike the state-of-the-art, the proposed method simultaneously learns from all time series in the hierarchy and incorporates the reconciliation step into a single trainable model. This is achieved by applying the reparameterization trick and casting reconciliation as an optimization problem with a closed-form solution. These model features make end-to-end learning of hierarchical forecasts possible, while accomplishing the challenging task of generating forecasts that are both probabilistic and coherent. Importantly, our approach also accommodates general aggregation constraints including grouped and temporal hierarchies. An extensive empirical evaluation on real-world hierarchical datasets demonstrates the advantages of the proposed approach over the state-of-the-art.
MSA Transformer
Authors: Roshan M Rao, Jason Liu, Robert Verkuil, Joshua Meier, John Canny, Pieter Abbeel, Tom Sercu, Alexander Rives
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Unsupervised protein language models trained across millions of diverse sequences learn structure and function of proteins. Protein language models studied to date have been trained to perform inference from individual sequences. The longstanding approach in computational biology has been to make inferences from a family of evolutionarily related sequences by fitting a model to each family independently. In this work we combine the two paradigms. We introduce a protein language model which takes as input a set of sequences in the form of a multiple sequence alignment. The model interleaves row and column attention across the input sequences and is trained with a variant of the masked language modeling objective across many protein families. The performance of the model surpasses current state-of-the-art unsupervised structure learning methods by a wide margin, with far greater parameter efficiency than prior state-of-the-art protein language models.
Autoregressive Denoising Diffusion Models for Multivariate Probabilistic Time Series Forecasting
Authors: Kashif Rasul, Calvin Seward, Ingmar Schuster, Roland Vollgraf
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: In this work, we propose TimeGrad, an autoregressive model for multivariate probabilistic time series forecasting which samples from the data distribution at each time step by estimating its gradient. To this end, we use diffusion probabilistic models, a class of latent variable models closely connected to score matching and energy-based methods. Our model learns gradients by optimizing a variational bound on the data likelihood and at inference time converts white noise into a sample of the distribution of interest through a Markov chain using Langevin sampling. We demonstrate experimentally that the proposed autoregressive denoising diffusion model is the new state-of-the-art multivariate probabilistic forecasting method on real-world data sets with thousands of correlated dimensions. We hope that this method is a useful tool for practitioners and lays the foundation for future research in this area.
Generative Particle Variational Inference via Estimation of Functional Gradients
Authors: Neale Ratzlaff, Qinxun Bai, Li Fuxin, Wei Xu
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Recently, particle-based variational inference (ParVI) methods have gained interest because they can avoid arbitrary parametric assumptions that are common in variational inference. However, many ParVI approaches do not allow arbitrary sampling from the posterior, and the few that do allow such sampling suffer from suboptimality. This work proposes a new method for learning to approximately sample from the posterior distribution. We construct a neural sampler that is trained with the functional gradient of the KL-divergence between the empirical sampling distribution and the target distribution, assuming the gradient resides within a reproducing kernel Hilbert space. Our generative ParVI (GPVI) approach maintains the asymptotic performance of ParVI methods while offering the flexibility of a generative sampler. Through carefully constructed experiments, we show that GPVI outperforms previous generative ParVI methods such as amortized SVGD, and is competitive with ParVI as well as gold-standard approaches like Hamiltonian Monte Carlo for fitting both exactly known and intractable target distributions.
Enhancing Robustness of Neural Networks through Fourier Stabilization
Authors: Netanel Raviv, Aidan Kelley, Minzhe Guo, Yevgeniy Vorobeychik
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Despite the considerable success of neural networks in security settings such as malware detection, such models have proved vulnerable to evasion attacks, in which attackers make slight changes to inputs (e.g., malware) to bypass detection. We propose a novel approach, Fourier stabilization, for designing evasion-robust neural networks with binary inputs. This approach, which is complementary to other forms of defense, replaces the weights of individual neurons with robust analogs derived using Fourier analytic tools. The choice of which neurons to stabilize in a neural network is then a combinatorial optimization problem, and we propose several methods for approximately solving it. We provide a formal bound on the per-neuron drop in accuracy due to Fourier stabilization, and experimentally demonstrate the effectiveness of the proposed approach in boosting robustness of neural networks in several detection settings. Moreover, we show that our approach effectively composes with adversarial training.
Disentangling Sampling and Labeling Bias for Learning in Large-output Spaces
Authors: Ankit Singh Rawat, Aditya K Menon, Wittawat Jitkrittum, Sadeep Jayasumana, Felix Yu, Sashank Reddi, Sanjiv Kumar
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Negative sampling schemes enable efficient training given a large number of classes, by offering a means to approximate a computationally expensive loss function that takes all labels into account. In this paper, we present a new connection between these schemes and loss modification techniques for countering label imbalance. We show that different negative sampling schemes implicitly trade-off performance on dominant versus rare labels. Further, we provide a unified means to explicitly tackle both sampling bias, arising from working with a subset of all labels, and labeling bias, which is inherent to the data due to label imbalance. We empirically verify our findings on long-tail classification and retrieval benchmarks.
Cross-domain Imitation from Observations
Authors: Dripta S. Raychaudhuri, Sujoy Paul, Jeroen Vanbaar, Amit K. Roy-Chowdhury
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Imitation learning seeks to circumvent the difficulty in designing proper reward functions for training agents by utilizing expert behavior. With environments modeled as Markov Decision Processes (MDP), most of the existing imitation algorithms are contingent on the availability of expert demonstrations in the same MDP as the one in which a new imitation policy is to be learned. In this paper, we study the problem of how to imitate tasks when discrepancies exist between the expert and agent MDP. These discrepancies across domains could include differing dynamics, viewpoint, or morphology; we present a novel framework to learn correspondences across such domains. Importantly, in contrast to prior works, we use unpaired and unaligned trajectories containing only states in the expert domain, to learn this correspondence. We utilize a cycle-consistency constraint on both the state space and a domain agnostic latent space to do this. In addition, we enforce consistency on the temporal position of states via a normalized position estimator function, to align the trajectories across the two domains. Once this correspondence is found, we can directly transfer the demonstrations on one domain to the other and use it for imitation. Experiments across a wide variety of challenging domains demonstrate the efficacy of our approach.
Implicit Regularization in Tensor Factorization
Authors: Noam Razin, Asaf Maman, Nadav Cohen
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Recent efforts to unravel the mystery of implicit regularization in deep learning have led to a theoretical focus on matrix factorization — matrix completion via linear neural network. As a step further towards practical deep learning, we provide the first theoretical analysis of implicit regularization in tensor factorization — tensor completion via certain type of non-linear neural network. We circumvent the notorious difficulty of tensor problems by adopting a dynamical systems perspective, and characterizing the evolution induced by gradient descent. The characterization suggests a form of greedy low tensor rank search, which we rigorously prove under certain conditions, and empirically demonstrate under others. Motivated by tensor rank capturing the implicit regularization of a non-linear neural network, we empirically explore it as a measure of complexity, and find that it captures the essence of datasets on which neural networks generalize. This leads us to believe that tensor rank may pave way to explaining both implicit regularization in deep learning, and the properties of real-world data translating this implicit regularization to generalization.
Align, then memorise: the dynamics of learning with feedback alignment
Authors: Maria Refinetti, Stéphane D'Ascoli, Ruben Ohana, Sebastian Goldt
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Direct Feedback Alignment (DFA) is emerging as an efficient and biologically plausible alternative to backpropagation for training deep neural networks. Despite relying on random feedback weights for the backward pass, DFA successfully trains state-of-the-art models such as Transformers. On the other hand, it notoriously fails to train convolutional networks. An understanding of the inner workings of DFA to explain these diverging results remains elusive. Here, we propose a theory of feedback alignment algorithms. We first show that learning in shallow networks proceeds in two steps: an alignment phase, where the model adapts its weights to align the approximate gradient with the true gradient of the loss function, is followed by a memorisation phase, where the model focuses on fitting the data. This two-step process has a degeneracy breaking effect: out of all the low-loss solutions in the landscape, a net-work trained with DFA naturally converges to the solution which maximises gradient alignment. We also identify a key quantity underlying alignment in deep linear networks: the conditioning of the alignment matrices. The latter enables a detailed understanding of the impact of data structure on alignment, and suggests a simple explanation for the well-known failure of DFA to train convolutional neural networks. Numerical experiments on MNIST and CIFAR10 clearly demonstrate degeneracy breaking in deep non-linear networks and show that the align-then-memorize process occurs sequentially from the bottom layers of the network to the top.
Classifying high-dimensional Gaussian mixtures: Where kernel methods fail and neural networks succeed
Authors: Maria Refinetti, Sebastian Goldt, Florent Krzakala, Lenka Zdeborova
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: A recent series of theoretical works showed that the dynamics of neural networks with a certain initialisation are well-captured by kernel methods. Concurrent empirical work demonstrated that kernel methods can come close to the performance of neural networks on some image classification tasks. These results raise the question of whether neural networks only learn successfully if kernels also learn successfully, despite being the more expressive function class. Here, we show that two-layer neural networks with *only a few neurons* achieve near-optimal performance on high-dimensional Gaussian mixture classification while lazy training approaches such as random features and kernel methods do not. Our analysis is based on the derivation of a set of ordinary differential equations that exactly track the dynamics of the network and thus allow to extract the asymptotic performance of the network as a function of regularisation or signal-to-noise ratio. We also show how over-parametrising the neural network leads to faster convergence, but does not improve its final performance.
Sharf: Shape-conditioned Radiance Fields from a Single View
Authors: Konstantinos Rematas, Ricardo Martin-Brualla, Vittorio Ferrari
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: We present a method for estimating neural scenes representations of objects given only a single image. The core of our method is the estimation of a geometric scaffold for the object and its use as a guide for the reconstruction of the underlying radiance field. Our formulation is based on a generative process that first maps a latent code to a voxelized shape, and then renders it to an image, with the object appearance being controlled by a second latent code. During inference, we optimize both the latent codes and the networks to fit a test image of a new object. The explicit disentanglement of shape and appearance allows our model to be fine-tuned given a single image. We can then render new views in a geometrically consistent manner and they represent faithfully the input object. Additionally, our method is able to generalize to images outside of the training domain (more realistic renderings and even real photographs). Finally, the inferred geometric scaffold is itself an accurate estimate of the object’s 3D shape. We demonstrate in several experiments the effectiveness of our approach in both synthetic and real images.
LEGO: Latent Execution-Guided Reasoning for Multi-Hop Question Answering on Knowledge Graphs
Authors: Hongyu Ren, Hanjun Dai, Bo Dai, Xinyun Chen, Michihiro Yasunaga, Haitian Sun, Dale Schuurmans, Jure Leskovec, Denny Zhou
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: Answering complex natural language questions on knowledge graphs (KGQA) is a challenging task. It requires reasoning with the input natural language questions as well as a massive, incomplete heterogeneous KG. Prior methods obtain an abstract structured query graph/tree from the input question and traverse the KG for answers following the query tree. However, they inherently cannot deal with missing links in the KG. Here we present LEGO, a Latent Execution-Guided reasOning framework to handle this challenge in KGQA. LEGO works in an iterative way, which alternates between (1) a Query Synthesizer, which synthesizes a reasoning action and grows the query tree step-by-step, and (2) a Latent Space Executor that executes the reasoning action in the latent embedding space to combat against the missing information in KG. To learn the synthesizer without step-wise supervision, we design a generic latent execution guided bottom-up search procedure to find good execution traces efficiently in the vast query space. Experimental results on several KGQA benchmarks demonstrate the effectiveness of our framework compared with previous state of the art.
Interpreting and Disentangling Feature Components of Various Complexity from DNNs
Authors: Jie Ren, Mingjie Li, Zexu Liu, Quanshi Zhang
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: This paper aims to define, visualize, and analyze the feature complexity that is learned by a DNN. We propose a generic definition for the feature complexity. Given the feature of a certain layer in the DNN, our method decomposes and visualizes feature components of different complexity orders from the feature. The feature decomposition enables us to evaluate the reliability, the effectiveness, and the significance of over-fitting of these feature components. Furthermore, such analysis helps to improve the performance of DNNs. As a generic method, the feature complexity also provides new insights into existing deep-learning techniques, such as network compression and knowledge distillation.
Integrated Defense for Resilient Graph Matching
Authors: Jiaxiang Ren, Zijie Zhang, Jiayin Jin, Xin Zhao, Sixing Wu, Yang Zhou, Yelong Shen, Tianshi Che, Ruoming Jin, Dejing Dou
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: A recent study has shown that graph matching models are vulnerable to adversarial manipulation of their input which is intended to cause a mismatching. Nevertheless, there is still a lack of a comprehensive solution for further enhancing the robustness of graph matching against adversarial attacks. In this paper, we identify and study two types of unique topology attacks in graph matching: inter-graph dispersion and intra-graph assembly attacks. We propose an integrated defense model, IDRGM, for resilient graph matching with two novel defense techniques to defend against the above two attacks simultaneously. A detection technique of inscribed simplexes in the hyperspheres consisting of multiple matched nodes is proposed to tackle inter-graph dispersion attacks, in which the distances among the matched nodes in multiple graphs are maximized to form regular simplexes. A node separation method based on phase-type distribution and maximum likelihood estimation is developed to estimate the distribution of perturbed graphs and separate the nodes within the same graphs over a wide space, for defending intra-graph assembly attacks, such that the interference from the similar neighbors of the perturbed nodes is significantly reduced. We evaluate the robustness of our IDRGM model on real datasets against state-of-the-art algorithms.
Solving high-dimensional parabolic PDEs using the tensor train format
Authors: Lorenz Richter, Leon Sallandt, Nikolas Nüsken
Published in: Proceedings of the 38th International Conference on Machine Learning (Main Conference Track), 2021

Abstract: High-dimensional partial differential equations (PDEs) are ubiquitous in economics, science and engineering. However, their numerical treatment poses formidable challenges since traditional grid-based methods tend to be frustrated by the curse of dimensionality. In this paper, we argue that tensor trains provide an appealing approximation framework for parabolic PDEs: the combination of reformulations in terms of backward stochastic differential equations and regression-type methods in the tensor format holds the promise of leveraging latent low-rank structures enabling both compression and efficient computation. Following this paradigm, we develop novel iterative schemes, involving either explicit and fast or implicit and accurate updates. We demonstrate in a number of examples that our methods achieve a favorable trade-off between accuracy and computational efficiency in comparison with state-of-the-art neural network based approaches.