OpenRaiser/Intern-Atlas huggingface dataset:
On the Learning and Learnability of Quasimetrics
Venue: Conference ICLR 2022
Year: 2022

Our world is full of asymmetries. Gravity and wind can make reaching a place easier than coming back. Social artifacts such as genealogy charts and citation graphs are inherently directed. In reinforcement learning and control, optimal goal-reaching strategies are rarely reversible (symmetrical). Distance functions supported on these asymmetrical structures are called quasimetrics. Despite their common appearance, little research has been done on the learning of quasimetrics. Our theoretical analysis reveals that a common class of learning algorithms, including unconstrained multilayer perceptrons (MLPs), provably fails to learn a quasimetric consistent with training data. In contrast, our proposed Poisson Quasimetric Embedding (PQE) is the first quasimetric learning formulation that both is learnable with gradient-based optimization and enjoys strong performance guarantees. Experiments on random graphs, social graphs, and offline Q-learning demonstrate its effectiveness over many common baselines.
Trans-Encoder: Unsupervised sentence-pair modelling through self- and mutual-distillations
Venue: Conference ICLR 2022
Year: 2022

In NLP, a large volume of tasks involve pairwise comparison between two sequences (e.g. sentence similarity and paraphrase identification). Predominantly, two formulations are used for sentence-pair tasks: bi-encoders and cross-encoders. Bi-encoders produce fixed-dimensional sentence representations and are computationally efficient, however, they usually underperform cross-encoders. Cross-encoders can leverage their attention heads to exploit inter-sentence interactions for better performance but they require task fine-tuning and are computationally more expensive. In this paper, we present a completely unsupervised sentence representation model termed as Trans-Encoder that combines the two learning paradigms into an iterative joint framework to simultaneously learn enhanced bi- and cross-encoders. Specifically, on top of a pre-trained Language Model (PLM), we start with converting it to an unsupervised bi-encoder, and then alternate between the bi- and cross-encoder task formulations. In each alternation, one task formulation will produce pseudo-labels which are used as learning signals for the other task formulation. We then propose an extension to conduct such self-distillation approach on multiple PLMs in parallel and use the average of their pseudo-labels for mutual-distillation. Trans-Encoder creates, to the best of our knowledge, the first completely unsupervised cross-encoder and also a state-of-the-art unsupervised bi-encoder for sentence similarity. Both the bi-encoder and cross-encoder formulations of Trans-Encoder outperform recently proposed state-of-the-art unsupervised sentence encoders such as Mirror-BERT and SimCSE by up to 5% on the sentence similarity benchmarks.
RegionViT: Regional-to-Local Attention for Vision Transformers
Venue: Conference ICLR 2022
Year: 2022

Vision transformer (ViT) has recently shown its strong capability in achieving comparable results to convolutional neural networks (CNNs) on image classification. However, vanilla ViT simply inherits the same architecture from the natural language processing directly, which is often not optimized for vision applications. Motivated by this, in this paper, we propose a new architecture that adopts the pyramid structure and employ a novel regional-to-local attention rather than global self-attention in vision transformers. More specifically, our model first generates regional tokens and local tokens from an image with different patch sizes, where each regional token is associated with a set of local tokens based on the spatial location. The regional-to-local attention includes two steps: first, the regional self-attention extract global information among all regional tokens and then the local self-attention exchanges the information among one regional token and the associated local tokens via self-attention. Therefore, even though local self-attention confines the scope in a local region but it can still receive global information. Extensive experiments on four vision tasks, including image classification, object and keypoint detection, semantics segmentation and action recognition, show that our approach outperforms or is on par with state-of-the-art ViT variants including many concurrent works. Our source codes and models are available at https://github.com/ibm/regionvit.
Pretraining Text Encoders with Adversarial Mixture of Training Signal Generators
Venue: Conference ICLR 2022
Year: 2022

We present a new framework AMOS that pretrains text encoders with an Adversarial learning curriculum via a Mixture Of Signals from multiple auxiliary generators. Following ELECTRA-style pretraining, the main encoder is trained as a discriminator to detect replaced tokens generated by auxiliary masked language models (MLMs). Different from ELECTRA which trains one MLM as the generator, we jointly train multiple MLMs of different sizes to provide training signals at various levels of difficulty. To push the discriminator to learn better with challenging replaced tokens, we learn mixture weights over the auxiliary MLMs' outputs to maximize the discriminator loss by backpropagating the gradient from the discriminator via Gumbel-Softmax. For better pretraining efficiency, we propose a way to assemble multiple MLMs into one unified auxiliary model. AMOS outperforms ELECTRA and recent state-of-the-art pretrained models by about 1 point on the GLUE benchmark for BERT base-sized models.
Pareto Set Learning for Neural Multi-Objective Combinatorial Optimization
Venue: Conference ICLR 2022
Year: 2022

Multiobjective combinatorial optimization (MOCO) problems can be found in many real-world applications. However, exactly solving these problems would be very challenging, particularly when they are NP-hard. Many handcrafted heuristic methods have been proposed to tackle different MOCO problems over the past decades. In this work, we generalize the idea of neural combinatorial optimization, and develop a learning-based approach to approximate the whole Pareto set for a given MOCO problem without further search procedure. We propose a single preference-conditioned model to directly generate approximate Pareto solutions for any trade-off preference, and design an efficient multiobjective reinforcement learning algorithm to train this model. Our proposed method can be treated as a learning-based extension for the widely-used decomposition-based multiobjective evolutionary algorithm (MOEA/D). It uses a single model to accommodate all the possible preferences, whereas other methods use a finite number of solutions to approximate the Pareto set. Experimental results show that our proposed method significantly outperforms some other methods on the multiobjective traveling salesman problem, multiobjective vehicle routing problem, and multiobjective knapsack problem in terms of solution quality, speed, and model efficiency.
Chaos is a Ladder: A New Theoretical Understanding of Contrastive Learning via Augmentation Overlap
Venue: Conference ICLR 2022
Year: 2022

Recently, contrastive learning has risen to be a promising approach for large-scale self-supervised learning. However, theoretical understanding of how it works is still unclear. In this paper, we propose a new guarantee on the downstream performance without resorting to the conditional independence assumption that is widely adopted in previous work but hardly holds in practice. Our new theory hinges on the insight that the support of different intra-class samples will become more overlapped under aggressive data augmentations, thus simply aligning the positive samples (augmented views of the same sample) could make contrastive learning cluster intra-class samples together. Based on this augmentation overlap perspective, theoretically, we obtain asymptotically closed bounds for downstream performance under weaker assumptions, and empirically, we propose an unsupervised model selection metric ARC that aligns well with downstream accuracy. Our theory suggests an alternative understanding of contrastive learning: the role of aligning positive samples is more like a surrogate task than an ultimate goal, and the overlapped augmented views (i.e., the chaos) create a ladder for contrastive learning to gradually learn class-separated representations. The code for computing ARC is available at https://github.com/zhangq327/ARC.
Transition to Linearity of Wide Neural Networks is an Emerging Property of Assembling Weak Models
Venue: Conference ICLR 2022
Year: 2022

Wide neural networks with linear output layer have been shown to be near-linear, and to have near-constant neural tangent kernel (NTK), in a region containing the optimization path of gradient descent. These findings seem counter-intuitive since in general neural networks are highly complex models. Why does a linear structure emerge when the networks become wide? In this work, we provide a new perspective on this "transition to linearity" by considering a neural network as an assembly model recursively built from a set of sub-models corresponding to individual neurons. In this view, we show that the linearity of wide neural networks is, in fact, an emerging property of assembling a large number of diverse "weak" sub-models, none of which dominate the assembly.
RISP: Rendering-Invariant State Predictor with Differentiable Simulation and Rendering for Cross-Domain Parameter Estimation
Venue: Conference ICLR 2022
Year: 2022

This work considers identifying parameters characterizing a physical system's dynamic motion directly from a video whose rendering configurations are inaccessible. Existing solutions require massive training data or lack generalizability to unknown rendering configurations. We propose a novel approach that marries domain randomization and differentiable rendering gradients to address this problem. Our core idea is to train a rendering-invariant state-prediction (RISP) network that transforms image differences into state differences independent of rendering configurations, e.g., lighting, shadows, or material reflectance. To train this predictor, we formulate a new loss on rendering variances using gradients from differentiable rendering. Moreover, we present an efficient, second-order method to compute the gradients of this loss, allowing it to be integrated seamlessly into modern deep learning frameworks. We evaluate our method in rigid-body and deformable-body simulation environments using four tasks: state estimation, system identification, imitation learning, and visuomotor control. We further demonstrate the efficacy of our approach on a real-world example: inferring the state and action sequences of a quadrotor from a video of its motion sequences. Compared with existing methods, our approach achieves significantly lower reconstruction errors and has better generalizability among unknown rendering configurations.
Salient ImageNet: How to discover spurious features in Deep Learning?
Venue: Conference ICLR 2022
Year: 2022

Deep neural networks can be unreliable in the real world especially when they heavily use {\it spurious} features for their predictions. Focusing on image classifications, we define {\it core features} as the set of visual features that are always a part of the object definition while {\it spurious features} are the ones that are likely to {\it co-occur} with the object but not a part of it (e.g., attribute "fingers" for class "band aid"). Traditional methods for discovering spurious features either require extensive human annotations (thus, not scalable), or are useful on specific models. In this work, we introduce a {\it general} framework to discover a subset of spurious and core visual features used in inferences of a general model and localize them on a large number of images with minimal human supervision. Our methodology is based on this key idea: to identify spurious or core \textit{visual features} used in model predictions, we identify spurious or core \textit{neural features} (penultimate layer neurons of a robust model) via limited human supervision (e.g., using top 5 activating images per feature). We then show that these neural feature annotations {\it generalize} extremely well to many more images {\it without} any human supervision. We use the activation maps for these neural features as the soft masks to highlight spurious or core visual features. Using this methodology, we introduce the {\it Salient Imagenet} dataset containing core and spurious masks for a large set of samples from Imagenet. Using this dataset, we show that several popular Imagenet models rely heavily on various spurious features in their predictions, indicating the standard accuracy alone is not sufficient to fully assess model performance. Code and dataset for reproducing all experiments in the paper is available at \url{https://github.com/singlasahil14/salient_imagenet}.
Continuously Discovering Novel Strategies via Reward-Switching Policy Optimization
Venue: Conference ICLR 2022
Year: 2022

We present Reward-Switching Policy Optimization (RSPO), a paradigm to discover diverse strategies in complex RL environments by iteratively finding novel policies that are both locally optimal and sufficiently different from existing ones. To encourage the learning policy to consistently converge towards a previously undiscovered local optimum, RSPO switches between extrinsic and intrinsic rewards via a trajectory-based novelty measurement during the optimization process. When a sampled trajectory is sufficiently distinct, RSPO performs standard policy optimization with extrinsic rewards. For trajectories with high likelihood under existing policies, RSPO utilizes an intrinsic diversity reward to promote exploration. Experiments show that RSPO is able to discover a wide spectrum of strategies in a variety of domains, ranging from single-agent particle-world tasks and MuJoCo continuous control to multi-agent stag-hunt games and StarCraftII challenges.
LORD: Lower-Dimensional Embedding of Log-Signature in Neural Rough Differential Equations
Venue: Conference ICLR 2022
Year: 2022

The problem of processing very long time-series data (e.g., a length of more than 10,000) is a long-standing research problem in machine learning. Recently, one breakthrough, called neural rough differential equations (NRDEs), has been proposed and has shown that it is able to process such data. Their main concept is to use the log-signature transform, which is known to be more efficient than the Fourier transform for irregular long time-series, to convert a very long time-series sample into a relatively shorter series of feature vectors. However, the log-signature transform causes non-trivial spatial overheads. To this end, we present the method of LOweR-Dimensional embedding of log-signature (LORD), where we define an NRDE-based autoencoder to implant the higher-depth log-signature knowledge into the lower-depth log-signature. We show that the encoder successfully combines the higher-depth and the lower-depth log-signature knowledge, which greatly stabilizes the training process and increases the model accuracy. In our experiments with benchmark datasets, the improvement ratio by our method is up to 75\% in terms of various classification and forecasting evaluation metrics.
Trigger Hunting with a Topological Prior for Trojan Detection
Venue: Conference ICLR 2022
Year: 2022

Despite their success and popularity, deep neural networks (DNNs) are vulnerable when facing backdoor attacks. This impedes their wider adoption, especially in mission critical applications. This paper tackles the problem of Trojan detection, namely, identifying Trojaned models -- models trained with poisoned data. One popular approach is reverse engineering, i.e., recovering the triggers on a clean image by manipulating the model's prediction. One major challenge of reverse engineering approach is the enormous search space of triggers. To this end, we propose innovative priors such as diversity and topological simplicity to not only increase the chances of finding the appropriate triggers but also improve the quality of the found triggers. Moreover, by encouraging a diverse set of trigger candidates, our method can perform effectively in cases with unknown target labels. We demonstrate that these priors can significantly improve the quality of the recovered triggers, resulting in substantially improved Trojan detection accuracy as validated on both synthetic and publicly available TrojAI benchmarks.
What Do We Mean by Generalization in Federated Learning?
Venue: Conference ICLR 2022
Year: 2022

Federated learning data is drawn from a distribution of distributions: clients are drawn from a meta-distribution, and their data are drawn from local data distributions. Thus generalization studies in federated learning should separate performance gaps from unseen client data (out-of-sample gap) from performance gaps from unseen client distributions (participation gap). In this work, we propose a framework for disentangling these performance gaps. Using this framework, we observe and explain differences in behavior across natural and synthetic federated datasets, indicating that dataset synthesis strategy can be important for realistic simulations of generalization in federated learning. We propose a semantic synthesis strategy that enables realistic simulation without naturally-partitioned data. Informed by our findings, we call out community suggestions for future federated learning works.
Conditional Image Generation by Conditioning Variational Auto-Encoders
Venue: Conference ICLR 2022
Year: 2022

We present a conditional variational auto-encoder (VAE) which, to avoid the substantial cost of training from scratch, uses an architecture and training objective capable of leveraging a foundation model in the form of a pretrained unconditional VAE. To train the conditional VAE, we only need to train an artifact to perform amortized inference over the unconditional VAE's latent variables given a conditioning input. We demonstrate our approach on tasks including image inpainting, for which it outperforms state-of-the-art GAN-based approaches at faithfully representing the inherent uncertainty. We conclude by describing a possible application of our inpainting model, in which it is used to perform Bayesian experimental design for the purpose of guiding a sensor.
Generative Models as a Data Source for Multiview Representation Learning
Venue: Conference ICLR 2022
Year: 2022

Generative models are now capable of producing highly realistic images that look nearly indistinguishable from the data on which they are trained. This raises the question: if we have good enough generative models, do we still need datasets? We investigate this question in the setting of learning general-purpose visual representations from a black-box generative model rather than directly from data. Given an off-the-shelf image generator without any access to its training data, we train representations from the samples output by this generator. We compare several representation learning methods that can be applied to this setting, using the latent space of the generator to generate multiple "views" of the same semantic content. We show that for contrastive methods, this multiview data can naturally be used to identify positive pairs (nearby in latent space) and negative pairs (far apart in latent space). We find that the resulting representations rival or even outperform those learned directly from real data, but that good performance requires care in the sampling strategy applied and the training method. Generative models can be viewed as a compressed and organized copy of a dataset, and we envision a future where more and more "model zoos" proliferate while datasets become increasingly unwieldy, missing, or private. This paper suggests several techniques for dealing with visual representation learning in such a future. Code is available on our project page https://ali-design.github.io/GenRep/.
Improved deterministic l2 robustness on CIFAR-10 and CIFAR-100
Venue: Conference ICLR 2022
Year: 2022

Training convolutional neural networks (CNNs) with a strict Lipschitz constraint under the $l_{2}$ norm is useful for provable adversarial robustness, interpretable gradients and stable training. While $1$-Lipschitz CNNs can be designed by enforcing a $1$-Lipschitz constraint on each layer, training such networks requires each layer to have an orthogonal Jacobian matrix (for all inputs) to prevent the gradients from vanishing during backpropagation. A layer with this property is said to be Gradient Norm Preserving (GNP). In this work, we introduce a procedure to certify the robustness of $1$-Lipschitz CNNs by relaxing the orthogonalization of the last linear layer of the network that significantly advances the state of the art for both standard and provable robust accuracies on CIFAR-100 (gains of $4.80\%$ and $4.71\%$, respectively). We further boost their robustness by introducing (i) a novel Gradient Norm preserving activation function called the Householder activation function (that includes every $\mathrm{GroupSort}$ activation) and (ii) a certificate regularization. On CIFAR-10, we achieve significant improvements over prior works in provable robust accuracy ($5.81\%$) with only a minor drop in standard accuracy ($-0.29\%$). Code for reproducing all experiments in the paper is available at \url{https://github.com/singlasahil14/SOC}.
A Generalized Weighted Optimization Method for Computational Learning and Inversion
Venue: Conference ICLR 2022
Year: 2022

The generalization capacity of various machine learning models exhibits different phenomena in the under- and over-parameterized regimes. In this paper, we focus on regression models such as feature regression and kernel regression and analyze a generalized weighted least-squares optimization method for computational learning and inversion with noisy data. The highlight of the proposed framework is that we allow weighting in both the parameter space and the data space. The weighting scheme encodes both a priori knowledge on the object to be learned and a strategy to weight the contribution of different data points in the loss function. Here, we characterize the impact of the weighting scheme on the generalization error of the learning method, where we derive explicit generalization errors for the random Fourier feature model in both the under- and over-parameterized regimes. For more general feature maps, error bounds are provided based on the singular values of the feature matrix. We demonstrate that appropriate weighting from prior knowledge can improve the generalization capability of the learned model.
Understanding and Improving Graph Injection Attack by Promoting Unnoticeability
Venue: Conference ICLR 2022
Year: 2022

Recently Graph Injection Attack (GIA) emerges as a practical attack scenario on Graph Neural Networks (GNNs), where the adversary can merely inject few malicious nodes instead of modifying existing nodes or edges, i.e., Graph Modification Attack (GMA). Although GIA has achieved promising results, little is known about why it is successful and whether there is any pitfall behind the success. To understand the power of GIA, we compare it with GMA and find that GIA can be provably more harmful than GMA due to its relatively high flexibility. However, the high flexibility will also lead to great damage to the homophily distribution of the original graph, i.e., similarity among neighbors. Consequently, the threats of GIA can be easily alleviated or even prevented by homophily-based defenses designed to recover the original homophily. To mitigate the issue, we introduce a novel constraint -- homophily unnoticeability that enforces GIA to preserve the homophily, and propose Harmonious Adversarial Objective (HAO) to instantiate it. Extensive experiments verify that GIA with HAO can break homophily-based defenses and outperform previous GIA attacks by a significant margin. We believe our methods can serve for a more reliable evaluation of the robustness of GNNs.