ICLR 2023 Papers

Category-level articulated object pose estimation aims to estimate a hierarchy of articulation-aware object poses of an unseen articulated object from a known category. To reduce the heavy annotations needed for supervised learning methods, we present a novel self-supervised strategy that solves this problem without any human labels. Our key idea is to factorize canonical shapes and articulated object poses from input articulated shapes through part-level equivariant shape analysis. Specifically, we first introduce the concept of part-level SE(3) equivariance and devise a network to learn features of such property. Then, through a carefully designed fine-grained pose-shape disentanglement strategy, we expect that canonical spaces to support pose estimation could be induced automatically. Thus, we could further predict articulated object poses as per-part rigid transformations describing how parts transform from their canonical part spaces to the camera space. Extensive experiments demonstrate the effectiveness of our method on both complete and partial point clouds from synthetic and real articulated object datasets.

A well-known failure mode of neural networks is that they may confidently return erroneous predictions. Such unsafe behaviour is particularly frequent when the use case slightly differs from the training context, and/or in the presence of an adversary. This work presents a novel direction to address these issues in a broad, general manner: imposing class-aware constraints on a model's internal activation patterns. Specifically, we assign to each class a unique, fixed, randomly-generated binary vector - hereafter called class code - and train the model so that its cross-depths activation patterns predict the appropriate class code according to the input sample's class. The resulting predictors are dubbed total activation classifiers (TAC), and TACs may either be trained from scratch, or used with negligible cost as a thin add-on on top of a frozen, pre-trained neural network. The distance between a TAC's activation pattern and the closest valid code acts as an additional confidence score, besides the default unTAC'ed prediction head's. In the add-on case, the original neural network's inference head is completely unaffected (so its accuracy remains the same) but we now have the option to use TAC's own confidence and prediction when determining which course of action to take in an hypothetical production workflow. In particular, we show that TAC strictly improves the value derived from models allowed to reject/defer. We provide further empirical evidence that TAC works well on multiple types of architectures and data modalities and that it is at least as good as state-of-the-art alternative confidence scores derived from existing models.

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.

Since the development of self-supervised visual representation learning from contrastive learning to masked image modeling (MIM), there is no significant difference in essence, that is, how to design proper pretext tasks for vision dictionary look-up. MIM recently dominates this line of research with state-of-the-art performance on vision Transformers (ViTs), where the core is to enhance the patch-level visual context capturing of the network via denoising auto-encoding mechanism. Rather than tailoring image tokenizers with extra training stages as in previous works, we unleash the great potential of contrastive learning on de- noising auto-encoding and introduce a pure MIM method, ConMIM, to produce simple intra-image inter-patch contrastive constraints as the sole learning objectives for masked patch prediction. We further strengthen the denoising mechanism with asymmetric designs, including image perturbations and model progress rates, to improve the network pre-training. ConMIM-pretrained models with various scales achieve competitive results on downstream image classification, semantic segmentation, object detection, and instance segmentation tasks, e.g., on ImageNet-1K classification, we achieve 83.9% top-1 accuracy with ViT-Small and 85.3% with ViT-Base without extra data for pre-training. Code will be available at https://github.com/TencentARC/ConMIM.

The \emph{stability} of learning algorithms to changes in the training sample has been actively studied as a powerful proxy for reasoning about generalization. Recently, exponential generalization and excess risk bounds with near-optimal rates have been obtained under the stringent and distribution-free notion of uniform stability~\citep{bousquet2020sharper,klochkov2021stability}. In the meanwhile, under the notion of $L_q$-stability, which is weaker and distribution dependent, exponential generalization bounds are also available yet so far only with sub-optimal rates. Therefore, a fundamental question we would like to address in this paper is whether it is possible to derive near-optimal exponential generalization bounds for $L_q$-stable learning algorithms. As the core contribution of the present work, we give an affirmative answer to this question by developing strict analogues of the near-optimal generalization and risk bounds of uniformly stable algorithms for $L_q$-stable algorithms. Further, we demonstrate the power of our improved $L_q$-stability and generalization theory by applying it to derive strong sparse excess risk bounds, under mild conditions, for computationally tractable sparsity estimation algorithms such as Iterative Hard Thresholding (IHT).

Generative adversarial networks (GANs), trained on a large-scale image dataset, can be a good approximator of the natural image manifold. GAN-inversion, using a pre-trained generator as a deep generative prior, is a promising tool for image restoration under corruptions. However, the performance of GAN-inversion can be limited by a lack of robustness to unknown gross corruptions, i.e., the restored image might easily deviate from the ground truth. In this paper, we propose a Robust GAN-inversion (RGI) method with a provable robustness guarantee to achieve image restoration under unknown \textit{gross} corruptions, where a small fraction of pixels are completely corrupted. Under mild assumptions, we show that the restored image and the identified corrupted region mask converge asymptotically to the ground truth. Moreover, we extend RGI to Relaxed-RGI (R-RGI) for generator fine-tuning to mitigate the gap between the GAN learned manifold and the true image manifold while avoiding trivial overfitting to the corrupted input image, which further improves the image restoration and corrupted region mask identification performance. The proposed RGI/R-RGI method unifies two important applications with state-of-the-art (SOTA) performance: (i) mask-free semantic inpainting, where the corruptions are unknown missing regions, the restored background can be used to restore the missing content. (ii) unsupervised pixel-wise anomaly detection, where the corruptions are unknown anomalous regions, the retrieved mask can be used as the anomalous region’s segmentation mask.

Systems neuroscience relies on two complementary views of neural data, characterized by single neuron tuning curves and analysis of population activity. These two perspectives combine elegantly in neural latent variable models that constrain the relationship between latent variables and neural activity, modeled by simple tuning curve functions. This has recently been demonstrated using Gaussian processes, with applications to realistic and topologically relevant latent manifolds. Those and previous models, however, missed crucial shared coding properties of neural populations. We propose $\textit{feature sharing}$ across neural tuning curves which significantly improves performance and helps optimization. We also propose a solution to the $\textit{ensemble detection}$ problem, where different groups of neurons, i.e., ensembles, can be modulated by different latent manifolds. Achieved through a soft clustering of neurons during training, this allows for the separation of mixed neural populations in an unsupervised manner. These innovations lead to more interpretable models of neural population activity that train well and perform better even on mixtures of complex latent manifolds. Finally, we apply our method on a recently published grid cell dataset, and recover distinct ensembles, infer toroidal latents and predict neural tuning curves in a single integrated modeling framework.

Generative modelling over continuous-time geometric constructs, a.k.a $chirographic\ data$ such as handwriting, sketches, drawings etc., have been accomplished through autoregressive distributions. Such strictly-ordered discrete factorization however falls short of capturing key properties of chirographic data -- it fails to build holistic understanding of the temporal concept due to one-way visibility (causality). Consequently, temporal data has been modelled as discrete token sequences of fixed sampling rate instead of capturing the true underlying concept. In this paper, we introduce a powerful model-class namely Denoising\ Diffusion\ Probabilistic\ Models or DDPMs for chirographic data that specifically addresses these flaws. Our model named "ChiroDiff", being non-autoregressive, learns to capture holistic concepts and therefore remains resilient to higher temporal sampling rate up to a good extent. Moreover, we show that many important downstream utilities (e.g. conditional sampling, creative mixing) can be flexibly implemented using ChiroDiff. We further show some unique use-cases like stochastic vectorization, de-noising/healing, abstraction are also possible with this model-class. We perform quantitative and qualitative evaluation of our framework on relevant datasets and found it to be better or on par with competing approaches.

Chain-of-thought prompting combined with pretrained large language models has achieved encouraging results on complex reasoning tasks. In this paper, we propose a new decoding strategy, self-consistency, to replace the naive greedy decoding used in chain-of-thought prompting. It first samples a diverse set of reasoning paths instead of only taking the greedy one, and then selects the most consistent answer by marginalizing out all possible reasoning paths. Self-consistency leverages the intuition that a complex reasoning problem typically admits multiple different ways of thinking leading to its unique correct answer. Our extensive empirical evaluation shows that self-consistency boosts the performance of chain-of-thought prompting with a striking margin on a range of popular arithmetic and commonsense reasoning benchmarks, including GSM8K (+17.9%), SVAMP (+11.0%), AQuA (+12.2%), StrategyQA (+6.4%) and ARC-challenge (+3.9%).

We propose topology-aware feature partitioning into $k$ disjoint partitions for given scene features as a method for object-centric representation learning. To this end, we propose to use minimum $s$-$t$ graph cuts as a partitioning method which is represented as a linear program. The method is topologically aware since it explicitly encodes neighborhood relationships in the image graph. To solve the graph cuts our solution relies on an efficient, scalable, and differentiable quadratic programming approximation. Optimizations specific to cut problems allow us to solve the quadratic programs and compute their gradients significantly more efficiently compared with the general quadratic programming approach. Our results show that our approach is scalable and outperforms existing methods on object discovery tasks with textured scenes and objects.

Today, ground-truth generation uses data sets annotated by cloud-based annotation services. These services rely on human annotation, which can be prohibitively expensive. In this paper, we consider the problem of hybrid human-machine labeling, which trains a classifier to accurately auto-label part of the data set. However, training the classifier can be expensive too. We propose an iterative approach that minimizes total overall cost by, at each step, jointly determining which samples to label using humans and which to label using the trained classifier. We validate our approach on well known public data sets such as Fashion-MNIST, CIFAR-10, CIFAR-100, and ImageNet. In some cases, our approach has 6× lower overall cost relative to human labeling the entire data set, and is always cheaper than the cheapest competing strategy.

Physically rearranging objects is an important capability for embodied agents. Visual room rearrangement evaluates an agent's ability to rearrange objects in a room to a desired goal based solely on visual input. We propose a simple yet effective method for this problem: (1) search for and map which objects need to be rearranged, and (2) rearrange each object until the task is complete. Our approach consists of an off-the-shelf semantic segmentation model, voxel-based semantic map, and semantic search policy to efficiently find objects that need to be rearranged. Our method was the winning submission to the AI2-THOR Rearrangement Challenge in the 2022 Embodied AI Workshop at CVPR 2022, and improves on current state-of-the-art end-to-end reinforcement learning-based methods that learn visual room rearrangement policies from 0.53% correct rearrangement to 16.56%, using only 2.7% as many samples from the environment.

Task-free continual learning is the machine-learning setting where a model is trained online with data generated by a nonstationary stream. Conventional wisdom suggests that, in this setting, models are trained using an approach called experience replay, where the risk is computed both with respect to current stream observations and to a small subset of past observations. In this work, we explain both theoretically and empirically how experience replay biases the outputs of the model towards recent stream observations. Moreover, we propose a simple approach to mitigate this bias online, by changing how the output layer of the model is optimized. We show that our approach improves significantly the learning performance of experience-replay approaches over different datasets. Our findings suggest that, when performing experience replay, the output layer of the model should be optimized separately from the preceding layers.

Deep reinforcement learning algorithms that learn policies by trial-and-error must learn from limited amounts of data collected by actively interacting with the environment. While many prior works have shown that proper regularization techniques are crucial for enabling data-efficient RL, a general understanding of the bottlenecks in data-efficient RL has remained unclear. Consequently, it has been difficult to devise a universal technique that works well across all domains. In this paper, we attempt to understand the primary bottleneck in sample-efficient deep RL by examining several potential hypotheses such as non-stationarity, excessive action distribution shift, and overfitting. We perform thorough empirical analysis on state-based DeepMind control suite (DMC) tasks in a controlled and systematic way to show that high temporal-difference (TD) error on the validation set of transitions is the main culprit that severely affects the performance of deep RL algorithms, and prior methods that lead to good performance do in fact, control the validation TD error to be low. This observation gives us a robust principle for making deep RL efficient: we can hill-climb on the validation TD error by utilizing any form of regularization techniques from supervised learning. We show that a simple online model selection method that targets the validation TD error is effective across state-based DMC and Gym tasks.

Reward design in reinforcement learning (RL) is challenging since specifying human notions of desired behavior may be difficult via reward functions or require many expert demonstrations. Can we instead cheaply design rewards using a natural language interface? This paper explores how to simplify reward design by using a large language model (LLM) such as GPT-3 as a proxy reward function, where the user provides a textual prompt containing a few examples (few-shot) or a description (zero-shot) of desired behavior. Our approach leverages this proxy reward function in an RL framework. Specifically, users specify a prompt once at the beginning of training. During training, the LLM evaluates an RL agent's behavior against the desired behavior described by the prompt and outputs a corresponding reward signal. The RL agent then uses this reward to update its behavior. We evaluate whether our approach can train agents aligned with user objectives in the Ultimatum Game, matrix games, and the DealOrNoDeal negotiation task. In all three tasks, we show that RL agents trained with our framework are well-aligned with the user's objectives and outperforms RL agents trained with reward functions learned via supervised learning.

We propose ADCLR: \underline{A}ccurate and \underline{D}ense \underline{C}ontrastive \underline{R}epresentation \underline{L}earning, a novel self-supervised learning framework for learning accurate and dense vision representation. To extract spatial-sensitive information, ADCLR introduces query patches for contrasting in addition with global contrasting. Compared with previous dense contrasting methods, ADCLR mainly enjoys three merits: i) achieving both global-discriminative and spatial-sensitive representation, ii) model-efficient (no extra parameters in addition to the global contrasting baseline), and iii) correspondence-free and thus simpler to implement. Our approach achieves new state-of-the-art performance for contrastive methods. On classification tasks, for ViT-S, ADCLR achieves 78.1\% top-1 accuracy on ImageNet with linear probing, outperforming our baseline (DINO) without our devised techniques as plug-in, by 1.1\%. For ViT-B, ADCLR achieves 79.8\%, 84.0\% accuracy on ImageNet by linear probing and finetune, outperforming DINO by 0.6\%, 0.4\% accuracy. For dense tasks, on MS-COCO, ADCLR achieves significant improvements of 44.3\% AP on object detection, 39.7\% AP on instance segmentation, outperforming previous SOTA method SelfPatch by 2.2\% and 1.2\%, respectively. On ADE20K, ADCLR outperforms SelfPatch by 1.0\% mIoU, 1.2\% mAcc on the segmentation task.

Diffusion probabilistic models (DPMs) have become a popular approach to conditional generation, due to their promising results and support for cross-modal synthesis. A key desideratum in conditional synthesis is to achieve high correspondence between the conditioning input and generated output. Most existing methods learn such relationships implicitly, by incorporating the prior into the variational lower bound. In this work, we take a different route---we explicitly enhance input-output connections by maximizing their mutual information. To this end, we introduce a Conditional Discrete Contrastive Diffusion (CDCD) loss and design two contrastive diffusion mechanisms to effectively incorporate it into the denoising process, combining the diffusion training and contrastive learning for the first time by connecting it with the conventional variational objectives. We demonstrate the efficacy of our approach in evaluations with diverse multimodal conditional synthesis tasks: dance-to-music generation, text-to-image synthesis, as well as class-conditioned image synthesis. On each, we enhance the input-output correspondence and achieve higher or competitive general synthesis quality. Furthermore, the proposed approach improves the convergence of diffusion models, reducing the number of required diffusion steps by more than 35% on two benchmarks, significantly increasing the inference speed.

Magnetic resonance imaging (MRI) is a common and life-saving medical imaging technique. However, acquiring high signal-to-noise ratio MRI scans requires long scan times, resulting in increased costs and patient discomfort, and decreased throughput. Thus, there is great interest in denoising MRI scans, especially for the subtype of diffusion MRI scans that are severely SNR-limited. While most prior MRI denoising methods are supervised in nature, acquiring supervised training datasets for the multitude of anatomies, MRI scanners, and scan parameters proves impractical. Here, we propose Denoising Diffusion Models for Denoising Diffusion MRI (DDM^2), a self-supervised denoising method for MRI denoising using diffusion denoising generative models. Our three-stage framework integrates statistic-based denoising theory into diffusion models and performs denoising through conditional generation. During inference, we represent input noisy measurements as a sample from an intermediate posterior distribution within the diffusion Markov chain. We conduct experiments on 4 real-world in-vivo diffusion MRI datasets and show that our DDM^2 demonstrates superior denoising performances ascertained with clinically-relevant visual qualitative and quantitative metrics.

The ability to discover behaviours from past experience and transfer them to new tasks is a hallmark of intelligent agents acting sample-efficiently in the real world. Equipping embodied reinforcement learners with the same ability may be crucial for their successful deployment in robotics. While hierarchical and KL-regularized reinforcement learning individually hold promise here, arguably a hybrid approach could combine their respective benefits. Key to these fields is the use of information asymmetry across architectural modules to bias which skills are learnt. While asymmetry choice has a large influence on transferability, existing methods base their choice primarily on intuition in a domain-independent, potentially sub-optimal, manner. In this paper, we theoretically and empirically show the crucial expressivity-transferability trade-off of skills across sequential tasks, controlled by information asymmetry. Given this insight, we introduce Attentive Priors for Expressive and Transferable Skills (APES), a hierarchical KL-regularized method, heavily benefiting from both priors and hierarchy. Unlike existing approaches, APES automates the choice of asymmetry by learning it in a data-driven, domain-dependent, way based on our expressivity-transferability theorems. Experiments over complex transfer domains of varying levels of extrapolation and sparsity, such as robot block stacking, demonstrate the criticality of the correct asymmetric choice, with APES drastically outperforming previous methods.