ICLR 2023 Papers

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.

Conformal prediction is a distribution-free technique for establishing valid prediction intervals. Although conventionally people conduct conformal prediction in the output space, this is not the only possibility. In this paper, we propose feature conformal prediction, which extends the scope of conformal prediction to semantic feature spaces by leveraging the inductive bias of deep representation learning. From a theoretical perspective, we demonstrate that feature conformal prediction provably outperforms regular conformal prediction under mild assumptions. Our approach could be combined with not only vanilla conformal prediction, but also other adaptive conformal prediction methods. Apart from experiments on existing predictive inference benchmarks, we also demonstrate the state-of-the-art performance of the proposed methods on \textit{large-scale} tasks such as ImageNet classification and Cityscapes image segmentation.

Recent works have shown that self-supervised learning can achieve remarkable robustness when integrated with adversarial training (AT). However, the robustness gap between supervised AT (sup-AT) and self-supervised AT (self-AT) remains significant. Motivated by this observation, we revisit existing self-AT methods and discover an inherent dilemma that affects self-AT robustness: either strong or weak data augmentations are harmful to self-AT, and a medium strength is insufficient to bridge the gap. To resolve this dilemma, we propose a simple remedy named DYNACL (Dynamic Adversarial Contrastive Learning). In particular, we propose an augmentation schedule that gradually anneals from a strong augmentation to a weak one to benefit from both extreme cases. Besides, we adopt a fast post-processing stage for adapting it to downstream tasks. Through extensive experiments, we show that DYNACL can improve state-of-the-art self-AT robustness by 8.84% under Auto-Attack on the CIFAR-10 dataset, and can even outperform vanilla supervised adversarial training for the first time. Our code is available at \url{https://github.com/PKU-ML/DYNACL}.

Conditional language models are predominantly trained with maximum likelihood estimation (MLE), giving probability mass to sparsely observed target sequences. While MLE trained models assign high probability to plausible sequences given the context, the model probabilities often do not accurately rank-order generated sequences by quality. This has been empirically observed in beam search decoding as output quality degrading with large beam sizes, and decoding strategies benefiting from heuristics such as length normalization and repetition-blocking. In this work, we introduce sequence likelihood calibration (SLiC) where the likelihood of model generated sequences are calibrated to better align with reference sequences in the model’s latent space. With SLiC, decoding heuristics become unnecessary and decoding candidates’ quality significantly improves regardless of the decoding method. Furthermore, SLiC shows no sign of diminishing returns with model scale, and presents alternative ways to improve quality with limited training and inference budgets. With SLiC, we exceed or match SOTA results on a wide range of generation tasks spanning abstractive summarization, question generation, abstractive question answering and data-to-text generation, even with modest-sized models.

Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered value, thus ignoring the global pattern of the spectrum. Furthermore, these filters are often constructed based on some fixed-order polynomials, which have limited expressiveness and flexibility. To tackle these issues, we introduce Specformer, which effectively encodes the set of all eigenvalues and performs self-attention in the spectral domain, leading to a learnable set-to-set spectral filter. We also design a decoder with learnable bases to enable non-local graph convolution. Importantly, Specformer is equivariant to permutation. By stacking multiple Specformer layers, one can build a powerful spectral GNN. On synthetic datasets, we show that our Specformer can better recover ground-truth spectral filters than other spectral GNNs. Extensive experiments of both node-level and graph-level tasks on real-world graph datasets show that our Specformer outperforms state-of-the-art GNNs and learns meaningful spectrum patterns. Code and data are available at https://github.com/bdy9527/Specformer.

We present ISAAC (Input-baSed ApproximAte Curvature), a novel method that conditions the gradient using selected second-order information and has an asymptotically vanishing computational overhead, assuming a batch size smaller than the number of neurons. We show that it is possible to compute a good conditioner based on only the input to a respective layer without a substantial computational overhead. The proposed method allows effective training even in small-batch stochastic regimes, which makes it competitive to first-order as well as second-order methods.

In this work, we present the Bregman Alternating Projected Gradient (BAPG) method, a single-loop algorithm that offers an approximate solution to the Gromov-Wasserstein (GW) distance. We introduce a novel relaxation technique that balances accuracy and computational efficiency, albeit with some compromises in the feasibility of the coupling map. Our analysis is based on the observation that the GW problem satisfies the Luo-Tseng error bound condition, which relates to estimating the distance of a point to the critical point set of the GW problem based on the optimality residual. This observation allows us to provide an approximation bound for the distance between the fixed-point set of BAPG and the critical point set of GW. Moreover, under a mild technical assumption, we can show that BAPG converges to its fixed point set. The effectiveness of BAPG has been validated through comprehensive numerical experiments in graph alignment and partition tasks, where it outperforms existing methods in terms of both solution quality and wall-clock time.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples $(x, f(x))$ presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding context-specific parametric models in their hidden representations, and updating these implicit models as new examples appear in the context. Using linear regression as a model problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form computation of regression parameters. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may work by rediscovering standard estimation algorithms.

We propose a generic module named Indirection Layer (InLay), which leverages indirection and data internal relationships to effectively construct symbolic indirect representations to improve out-of-distribution generalization capabilities of various neural architectures. InLay receives data input in the form of a sequence of objects, treats it as a complete weighted graph whose vertices are the objects and edge weights are scalars representing relationships between vertices. The input is first mapped via indirection to a symbolic graph with data-independent and trainable vertices. This symbolic graph is then propagated, resulting in new vertex features whose indirection will be used for prediction steps afterward. Theoretically, we show that the distances between indirection representations are bounded by the distances between corresponding graphs, implying that unseen samples with very different surface statistics can still be close in the representation space to the seen samples if they share similar internal relationships. We demonstrate that InLay is consistently effective in improving out-of-distribution generalization throughout a comprehensive suite of experiments, including IQ problems, distorted image classification, and few-shot domain adaptation NLP classification. We also conduct ablation studies to verify different design choices of InLay.

The success of large-scale contrastive vision-language pretraining (CLIP) has benefited both visual recognition and multimodal content understanding. The concise design brings CLIP the advantage in inference efficiency against other vision-language models with heavier cross-attention fusion layers, making it a popular choice for a wide spectrum of downstream tasks. However, CLIP does not explicitly capture the hierarchical nature of high-level and fine-grained semantics conveyed in images and texts, which is arguably critical to vision-language understanding and reasoning. To this end, we equip both the visual and language branches in CLIP with hierarchy-aware attentions, namely Hierarchy-aware CLIP (HiCLIP), to progressively discover semantic hierarchies layer-by-layer from both images and texts in an unsupervised manner. As a result, such hierarchical aggregation significantly improves the cross-modal alignment. To demonstrate the advantages of HiCLIP, we conduct qualitative analysis on its unsupervised hierarchy induction during inference, as well as extensive quantitative experiments on both visual recognition and vision-language downstream tasks.

We consider the task of generating realistic 3D shapes, which is useful for a variety of applications such as automatic scene generation and physical simulation. Compared to other 3D representations like voxels and point clouds, meshes are more desirable in practice, because (1) they enable easy and arbitrary manipulation of shapes for relighting and simulation, and (2) they can fully leverage the power of modern graphics pipelines which are mostly optimized for meshes. Previous scalable methods for generating meshes typically rely on sub-optimal post-processing, and they tend to produce overly-smooth or noisy surfaces without fine-grained geometric details. To overcome these shortcomings, we take advantage of the graph structure of meshes and use a simple yet very effective generative modeling method to generate 3D meshes. Specifically, we represent meshes with deformable tetrahedral grids, and then train a diffusion model on this direct parameterization. We demonstrate the effectiveness of our model on multiple generative tasks.

In supervised learning, it has been shown that label noise in the data can be interpolated without penalties on test accuracy. We show that interpolating label noise induces adversarial vulnerability, and prove the first theorem showing the relationship between label noise and adversarial risk for any data distribution. Our results are almost tight if we do not make any assumptions on the inductive bias of the learning algorithm. We then investigate how different components of this problem affect this result including properties of the distribution. We also discuss non-uniform label noise distributions; and prove a new theorem showing uniform label noise induces nearly as large an adversarial risk as the worst poisoning with the same noise rate. Then, we provide theoretical and empirical evidence that uniform label noise is more harmful than typical real-world label noise. Finally, we show how inductive biases amplify the effect of label noise and argue the need for future work in this direction.

Dynamic diagnosis is desirable when medical tests are costly or time-consuming. In this work, we use reinforcement learning (RL) to find a dynamic policy that selects lab test panels sequentially based on previous observations, ensuring accurate testing at a low cost. Clinical diagnostic data are often highly imbalanced; therefore, we aim to maximize the F1 score instead of the error rate. However, optimizing the non-concave $F_1$ score is not a classic RL problem, thus invalidating standard RL methods. To remedy this issue, we develop a reward shaping approach, leveraging properties of the $F_1$ score and duality of policy optimization, to provably find the set of all Pareto-optimal policies for budget-constrained $F_1$ score maximization. To handle the combinatorially complex state space, we propose a Semi-Model-based Deep Diagnosis Policy Optimization (SM-DDPO) framework that is compatible with end-to-end training and online learning. SM-DDPO is tested on diverse clinical tasks: ferritin abnormality detection, sepsis mortality prediction, and acute kidney injury diagnosis. Experiments with real-world data validate that SM-DDPO trains efficiently and identify all Pareto-front solutions. Across all tasks, SM-DDPO is able to achieve state-of-the-art diagnosis accuracy (in some cases higher than conventional methods) with up to $85\%$ reduction in testing cost. Core codes are available at https://github.com/Zheng321/Deep-Reinforcement-Learning-for-Cost-Effective-Medical-Diagnosis.

In this paper we present a novel method to estimate 3D human pose and shape from monocular videos. This task requires directly recovering pixel-alignment 3D human pose and body shape from monocular images or videos, which is challenging due to its inherent ambiguity. To improve precision, existing methods highly rely on the initialized mean pose and shape as prior estimates and parameter regression with an iterative error feedback manner. In addition, video-based approaches model the overall change over the image-level features to temporally enhance the single-frame feature, but fail to capture the rotational motion at the joint level, and cannot guarantee local temporal consistency. To address these issues, we propose a novel Transformer-based model with a design of independent tokens. First, we introduce three types of tokens independent of the image feature: \textit{joint rotation tokens, shape token, and camera token}. By progressively interacting with image features through Transformer layers, these tokens learn to encode the prior knowledge of human 3D joint rotations, body shape, and position information from large-scale data, and are updated to estimate SMPL parameters conditioned on a given image. Second, benefiting from the proposed token-based representation, we further use a temporal model to focus on capturing the rotational temporal information of each joint, which is empirically conducive to preventing large jitters in local parts. Despite being conceptually simple, the proposed method attains superior performances on the 3DPW and Human3.6M datasets. Using ResNet-50 and Transformer architectures, it obtains 42.0 mm error on the PA-MPJPE metric of the challenging 3DPW, outperforming state-of-the-art counterparts by a large margin. Code will be publicly available\footnote{\url{https://github.com/yangsenius/INT_HMR_Model}}.

We study the theory of neural network (NN) from the lens of classical nonparametric regression problems with a focus on NN’s ability to adaptively estimate functions with heterogeneous smoothness — a property of functions in Besov or Bounded Variation (BV) classes. Existing work on this problem requires tuning the NN architecture based on the function spaces and sample sizes. We consider a “Parallel NN” variant of deep ReLU networks and show that the standard weight decay is equivalent to promoting the ℓp -sparsity (0 < p < 1) of the coefficient vector of an end-to-end learned function bases, i.e., a dictionary. Using this equivalence, we further establish that by tuning only the weight decay, such Parallel NN achieves an estimation error arbitrarily close to the minimax rates for both the Besov and BV classes. Notably, it gets exponentially closer to minimax optimal as the NN gets deeper. Our research sheds new lights on why depth matters and how NNs are more powerful than kernel methods

Motivated by various practical applications, we propose a novel and general formulation of targeted multi-objective hyperparameter optimization. Our formulation allows a clear specification of an automatable optimization goal using lexicographic preference over multiple objectives. We then propose a randomized directed search method named LexiFlow to solve this problem. We demonstrate the strong empirical performance of the proposed algorithm in multiple hyperparameter optimization tasks.

We introduce Corrupted Image Modeling (CIM) for self-supervised visual pre-training. CIM uses an auxiliary generator with a small trainable BEiT to corrupt the input image instead of using artificial [MASK] tokens, where some patches are randomly selected and replaced with plausible alternatives sampled from the BEiT output distribution. Given this corrupted image, an enhancer network learns to either recover all the original image pixels, or predict whether each visual token is replaced by a generator sample or not. The generator and the enhancer are simultaneously trained and synergistically updated. After pre-training, the enhancer can be used as a high-capacity visual encoder for downstream tasks. CIM is a general and flexible visual pre-training framework that is suitable for various network architectures. For the first time, CIM demonstrates that both ViT and CNN can learn rich visual representations using a unified, non-Siamese framework. Experimental results show that our approach achieves compelling results in vision benchmarks, such as ImageNet classification and ADE20K semantic segmentation.

When learning task-oriented dialogue (ToD) agents, reinforcement learning (RL) techniques can naturally be utilized to train dialogue strategies to achieve user-specific goals. Prior works mainly focus on adopting advanced RL techniques to train the ToD agents, while the design of the reward function is not well studied. This paper aims at answering the question of how to efficiently learn and leverage a reward function for training end-to-end (E2E) ToD agents. Specifically, we introduce two generalized objectives for reward-function learning, inspired by the classical learning-to-rank literature. Further, we utilize the learned reward function to guide the training of the E2E ToD agent. With the proposed techniques, we achieve competitive results on the E2E response-generation task on the Multiwoz 2.0 dataset. Source code and checkpoints are publicly released at https://github.com/Shentao-YANG/Fantastic_Reward_ICLR2023.

Model bias triggered by long-tailed data has been widely studied. However, measure based on the number of samples cannot explicate three phenomena simultaneously: (1) Given enough data, the classification performance gain is marginal with additional samples. (2) Classification performance decays precipitously as the number of training samples decreases when there is insufficient data. (3) Model trained on sample-balanced datasets still has different biases for different classes. In this work, we define and quantify the semantic scale of classes, which is equivalent to the feature diversity of classes. It is exciting to find experimentally that there is a marginal effect of semantic scale, which perfectly describes the first two phenomena. Further, the quantitative measurement of semantic scale imbalance is proposed, which can accurately reflect model bias on multiple datasets, even on sample-balanced data, revealing a novel perspective for the study of class imbalance. Due to the prevalence of semantic scale imbalance, we propose semantic-scale-balanced learning, including a general loss improvement scheme and a dynamic re-weighting training framework that overcomes the challenge of calculating semantic scales in real-time during iterations. Comprehensive experiments show that dynamic semantic-scale-balanced learning consistently enables the model to perform superiorly on large-scale long-tailed and non-long-tailed datasets, which is a good starting point for mitigating the prevalent but unnoticed model bias.