ICML 2021 论文列表

In applications such as natural language processing or computer vision, one is given a large $n \times n$ matrix $A = (a_{i,j})$ and would like to compute a matrix decomposition, e.g., a low rank approximation, of a function $f(A) = (f(a_{i,j}))$ applied entrywise to $A$. A very important special case is the likelihood function $f\left( A \right ) = \log{\left( \left| a_{ij}\right| +1\right)}$. A natural way to do this would be to simply apply $f$ to each entry of $A$, and then compute the matrix decomposition, but this requires storing all of $A$ as well as multiple passes over its entries. Recent work of Liang et al. shows how to find a rank-$k$ factorization to $f(A)$ using only $n \cdot \poly(\eps^{-1}k\log n)$ words of memory, with overall error $10\|f(A)-[f(A)]_k\|_F^2 + \poly(\epsilon/k) \|f(A)\|_{1,2}^2$, where $[f(A)]_k$ is the best rank-$k$ approximation to $f(A)$ and $\|f(A)\|_{1,2}^2$ is the square of the sum of Euclidean lengths of rows of $f(A)$. Their algorithm uses $3$ passes over the entries of $A$. The authors pose the open question of obtaining an algorithm with $n \cdot \poly(\eps^{-1}k\log n)$ words of memory using only a single pass over the entries of $A$. In this paper we resolve this open question, obtaining the first single-pass algorithm for this problem and for the same class of functions $f$ studied by Liang et al. Moreover, our error is $\|f(A)-[f(A)]_k\|_F^2 + \poly(\epsilon/k) \|f(A)\|_F^2$, where $\|f(A)\|_F^2$ is the sum of squares of Euclidean lengths of rows of $f(A)$. Thus our error is significantly smaller, as it removes the factor of $10$ and also $\|f(A)\|_F^2 \leq \|f(A)\|_{1,2}^2$.

We propose SinIR, an efficient reconstruction-based framework trained on a single natural image for general image manipulation, including super-resolution, editing, harmonization, paint-to-image, photo-realistic style transfer, and artistic style transfer. We train our model on a single image with cascaded multi-scale learning, where each network at each scale is responsible for image reconstruction. This reconstruction objective greatly reduces the complexity and running time of training, compared to the GAN objective. However, the reconstruction objective also exacerbates the output quality. Therefore, to solve this problem, we further utilize simple random pixel shuffling, which also gives control over manipulation, inspired by the Denoising Autoencoder. With quantitative evaluation, we show that SinIR has competitive performance on various image manipulation tasks. Moreover, with a much simpler training objective (i.e., reconstruction), SinIR is trained 33.5 times faster than SinGAN (for 500x500 images) that solves similar tasks. Our code is publicly available at github.com/YooJiHyeong/SinIR.

Deep Metric Learning (DML) provides a crucial tool for visual similarity and zero-shot retrieval applications by learning generalizing embedding spaces, although recent work in DML has shown strong performance saturation across training objectives. However, generalization capacity is known to scale with the embedding space dimensionality. Unfortunately, high dimensional embeddings also create higher retrieval cost for downstream applications. To remedy this, we propose S2SD - Simultaneous Similarity-based Self-distillation. S2SD extends DML with knowledge distillation from auxiliary, high-dimensional embedding and feature spaces to leverage complementary context during training while retaining test-time cost and with negligible changes to the training time. Experiments and ablations across different objectives and standard benchmarks show S2SD offering highly significant improvements of up to 7% in Recall@1, while also setting a new state-of-the-art.

Variational autoencoders (VAEs) provide an effective and simple method for modeling complex distributions. However, training VAEs often requires considerable hyperparameter tuning to determine the optimal amount of information retained by the latent variable. We study the impact of calibrated decoders, which learn the uncertainty of the decoding distribution and can determine this amount of information automatically, on the VAE performance. While many methods for learning calibrated decoders have been proposed, many of the recent papers that employ VAEs rely on heuristic hyperparameters and ad-hoc modifications instead. We perform the first comprehensive comparative analysis of calibrated decoder and provide recommendations for simple and effective VAE training. Our analysis covers a range of datasets and several single-image and sequential VAE models. We further propose a simple but novel modification to the commonly used Gaussian decoder, which computes the prediction variance analytically. We observe empirically that using heuristic modifications is not necessary with our method.

In this paper, we propose a conceptually simple but very effective attention module for Convolutional Neural Networks (ConvNets). In contrast to existing channel-wise and spatial-wise attention modules, our module instead infers 3-D attention weights for the feature map in a layer without adding parameters to the original networks. Specifically, we base on some well-known neuroscience theories and propose to optimize an energy function to find the importance of each neuron. We further derive a fast closed-form solution for the energy function, and show that the solution can be implemented in less than ten lines of code. Another advantage of the module is that most of the operators are selected based on the solution to the defined energy function, avoiding too many efforts for structure tuning. Quantitative evaluations on various visual tasks demonstrate that the proposed module is flexible and effective to improve the representation ability of many ConvNets. Our code is available at Pytorch-SimAM.

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 (Sig-DFP), 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.

Making predictions and quantifying their uncertainty when the input data is sequential is a fundamental learning challenge, recently attracting increasing attention. We develop SigGPDE, a new scalable sparse variational inference framework for Gaussian Processes (GPs) on sequential data. Our contribution is twofold. First, we construct inducing variables underpinning the sparse approximation so that the resulting evidence lower bound (ELBO) does not require any matrix inversion. Second, we show that the gradients of the GP signature kernel are solutions of a hyperbolic partial differential equation (PDE). This theoretical insight allows us to build an efficient back-propagation algorithm to optimize the ELBO. We showcase the significant computational gains of SigGPDE compared to existing methods, while achieving state-of-the-art performance for classification tasks on large datasets of up to 1 million multivariate time series.

Deep extreme multi-label learning (XML) requires training deep architectures that can tag a data point with its most relevant subset of labels from an extremely large label set. XML applications such as ad and product recommendation involve labels rarely seen during training but which nevertheless hold the key to recommendations that delight users. Effective utilization of label metadata and high quality predictions for rare labels at the scale of millions of labels are thus key challenges in contemporary XML research. To address these, this paper develops the SiameseXML framework based on a novel probabilistic model that naturally motivates a modular approach melding Siamese architectures with high-capacity extreme classifiers, and a training pipeline that effortlessly scales to tasks with 100 million labels. SiameseXML offers predictions 2–13% more accurate than leading XML methods on public benchmark datasets, as well as in live A/B tests on the Bing search engine, it offers significant gains in click-through-rates, coverage, revenue and other online metrics over state-of-the-art techniques currently in production. Code for SiameseXML is available at https://github.com/Extreme-classification/siamesexml

We propose the k-Shortest-Path (k-SP) constraint: a novel constraint on the agent’s trajectory that improves the sample efficiency in sparse-reward MDPs. We show that any optimal policy necessarily satisfies the k-SP constraint. Notably, the k-SP constraint prevents the policy from exploring state-action pairs along the non-k-SP trajectories (e.g., going back and forth). However, in practice, excluding state-action pairs may hinder the convergence of RL algorithms. To overcome this, we propose a novel cost function that penalizes the policy violating SP constraint, instead of completely excluding it. Our numerical experiment in a tabular RL setting demonstrates that the SP-constraint can significantly reduce the trajectory space of policy. As a result, our constraint enables more sample efficient learning by suppressing redundant exploration and exploitation. Our experiments on MiniGrid, DeepMind Lab, Atari, and Fetch show that the proposed method significantly improves proximal policy optimization (PPO) and outperforms existing novelty-seeking exploration methods including count-based exploration even in continuous control tasks, indicating that it improves the sample efficiency by preventing the agent from taking redundant actions.

Existing generalization analysis of clustering mainly focuses on specific instantiations, such as (kernel) $k$-means, and a unified framework for studying clustering performance is still lacking. Besides, the existing excess clustering risk bounds are mostly of order $\mathcal{O}(K/\sqrt{n})$ provided that the underlying distribution has bounded support, where $n$ is the sample size and $K$ is the cluster numbers, or of order $\mathcal{O}(K^2/n)$ under strong assumptions on the underlying distribution, where these assumptions are hard to be verified in general. In this paper, we propose a unified clustering learning framework and investigate its excess risk bounds, obtaining state-of-the-art upper bounds under mild assumptions. Specifically, we derive sharper bounds of order $\mathcal{O}(K^2/n)$ under mild assumptions on the covering number of the hypothesis spaces, where these assumptions are easy to be verified. Moreover, for the hard clustering scheme, such as (kernel) $k$-means, if just assume the hypothesis functions to be bounded, we improve the upper bounds from the order $\mathcal{O}(K/\sqrt{n})$ to $\mathcal{O}(\sqrt{K}/\sqrt{n})$. Furthermore, state-of-the-art bounds of faster order $\mathcal{O}(K/n)$ are obtained with the covering number assumptions.

Effective lifelong learning across diverse tasks requires the transfer of diverse knowledge, yet transferring irrelevant knowledge may lead to interference and catastrophic forgetting. In deep networks, transferring the appropriate granularity of knowledge is as important as the transfer mechanism, and must be driven by the relationships among tasks. We first show that the lifelong learning performance of several current deep learning architectures can be significantly improved by transfer at the appropriate layers. We then develop an expectation-maximization (EM) method to automatically select the appropriate transfer configuration and optimize the task network weights. This EM-based selective transfer is highly effective, balancing transfer performance on all tasks with avoiding catastrophic forgetting, as demonstrated on three algorithms in several lifelong object classification scenarios.

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.

Least squares estimators, when trained on few target domain samples, may predict poorly. Supervised domain adaptation aims to improve the predictive accuracy by exploiting additional labeled training samples from a source distribution that is close to the target distribution. Given available data, we investigate novel strategies to synthesize a family of least squares estimator experts that are robust with regard to moment conditions. When these moment conditions are specified using Kullback-Leibler or Wasserstein-type divergences, we can find the robust estimators efficiently using convex optimization. We use the Bernstein online aggregation algorithm on the proposed family of robust experts to generate predictions for the sequential stream of target test samples. Numerical experiments on real data show that the robust strategies systematically outperform non-robust interpolations of the empirical least squares estimators.

Sparse neural networks have been widely applied to reduce the computational demands of training and deploying over-parameterized deep neural networks. For inference acceleration, methods that discover a sparse network from a pre-trained dense network (dense-to-sparse training) work effectively. Recently, dynamic sparse training (DST) has been proposed to train sparse neural networks without pre-training a dense model (sparse-to-sparse training), so that the training process can also be accelerated. However, previous sparse-to-sparse methods mainly focus on Multilayer Perceptron Networks (MLPs) and Convolutional Neural Networks (CNNs), failing to match the performance of dense-to-sparse methods in the Recurrent Neural Networks (RNNs) setting. In this paper, we propose an approach to train intrinsically sparse RNNs with a fixed parameter count in one single run, without compromising performance. During training, we allow RNN layers to have a non-uniform redistribution across cell gates for better regularization. Further, we propose SNT-ASGD, a novel variant of the averaged stochastic gradient optimizer, which significantly improves the performance of all sparse training methods for RNNs. Using these strategies, we achieve state-of-the-art sparse training results, better than the dense-to-sparse methods, with various types of RNNs on Penn TreeBank and Wikitext-2 datasets. Our codes are available at https://github.com/Shiweiliuiiiiiii/Selfish-RNN.

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, F2-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 the social media.

This paper studies unsupervised/self-supervised whole-graph representation learning, which is critical in many tasks such as molecule properties prediction in drug and material discovery. Existing methods mainly focus on preserving the local similarity structure between different graph instances but fail to discover the global semantic structure of the entire data set. In this paper, we propose a unified framework called Local-instance and Global-semantic Learning (GraphLoG) for self-supervised whole-graph representation learning. Specifically, besides preserving the local similarities, GraphLoG introduces the hierarchical prototypes to capture the global semantic clusters. An efficient online expectation-maximization (EM) algorithm is further developed for learning the model. We evaluate GraphLoG by pre-training it on massive unlabeled graphs followed by fine-tuning on downstream tasks. Extensive experiments on both chemical and biological benchmark data sets demonstrate the effectiveness of the proposed approach.

Deep learning has made revolutionary advances to diverse applications in the presence of large-scale labeled datasets. However, it is prohibitively time-costly and labor-expensive to collect sufficient labeled data in most realistic scenarios. To mitigate the requirement for labeled data, semi-supervised learning (SSL) focuses on simultaneously exploring both labeled and unlabeled data, while transfer learning (TL) popularizes a favorable practice of fine-tuning a pre-trained model to the target data. A dilemma is thus encountered: Without a decent pre-trained model to provide an implicit regularization, SSL through self-training from scratch will be easily misled by inaccurate pseudo-labels, especially in large-sized label space; Without exploring the intrinsic structure of unlabeled data, TL through fine-tuning from limited labeled data is at risk of under-transfer caused by model shift. To escape from this dilemma, we present Self-Tuning to enable data-efficient deep learning by unifying the exploration of labeled and unlabeled data and the transfer of a pre-trained model, as well as a Pseudo Group Contrast (PGC) mechanism to mitigate the reliance on pseudo-labels and boost the tolerance to false labels. Self-Tuning outperforms its SSL and TL counterparts on five tasks by sharp margins, e.g. it doubles the accuracy of fine-tuning on Cars with $15%$ labels.

Reinforcement learning (RL) has made a lot of advances for solving a single problem in a given environment; but learning policies that generalize to unseen variations of a problem remains challenging. To improve sample efficiency for learning on such instances of a problem domain, we present Self-Paced Context Evaluation (SPaCE). Based on self-paced learning, SPaCE automatically generates instance curricula online with little computational overhead. To this end, SPaCE leverages information contained in state values during training to accelerate and improve training performance as well as generalization capabilities to new \tasks from the same problem domain. Nevertheless, SPaCE is independent of the problem domain at hand and can be applied on top of any RL agent with state-value function approximation. We demonstrate SPaCE’s ability to speed up learning of different value-based RL agents on two environments, showing better generalization capabilities and up to 10x faster learning compared to naive approaches such as round robin or SPDRL, as the closest state-of-the-art approach.

Retrosynthetic planning is a fundamental problem in chemistry for finding a pathway of reactions to synthesize a target molecule. Recently, search algorithms have shown promising results for solving this problem by using deep neural networks (DNNs) to expand their candidate solutions, i.e., adding new reactions to reaction pathways. However, the existing works on this line are suboptimal; the retrosynthetic planning problem requires the reaction pathways to be (a) represented by real-world reactions and (b) executable using “building block” molecules, yet the DNNs expand reaction pathways without fully incorporating such requirements. Motivated by this, we propose an end-to-end framework for directly training the DNNs towards generating reaction pathways with the desirable properties. Our main idea is based on a self-improving procedure that trains the model to imitate successful trajectories found by itself. We also propose a novel reaction augmentation scheme based on a forward reaction model. Our experiments demonstrate that our scheme significantly improves the success rate of solving the retrosynthetic problem from 86.84% to 96.32% while maintaining the performance of DNN for predicting valid reactions.