ICLR 2023 Papers

Sequence modeling has important applications in natural language processing and computer vision. Recently, the transformer-based models have shown strong performance on various sequence modeling tasks, which rely on attention to capture pairwise token relations, and position embedding to inject positional information. While showing good performance, the transformer models are inefficient to scale to long input sequences, mainly due to the quadratic space-time complexity of attention. To overcome this inefficiency, we propose to model sequences with a relative position encoded Toeplitz matrix and use a Toeplitz matrix-vector production trick to reduce the space-time complexity of the sequence modeling to log linear. A lightweight sub-network called relative position encoder is proposed to generate relative position coefficients with a fixed budget of parameters, enabling the proposed Toeplitz neural network to deal with varying sequence lengths. In addition, despite being trained on 512-token sequences, our model can extrapolate input sequence length up to 14K tokens in inference with consistent performance. Extensive experiments on autoregressive and bidirectional language modeling, image modeling, and the challenging Long-range Arena Benchmark show that our method achieves better performance than its competitors in most downstream tasks while being significantly faster.

When deployed for risk-sensitive tasks, deep neural networks must be able to detect instances with labels from outside the distribution for which they were trained. In this paper we present a novel framework to benchmark the ability of image classifiers to detect class-out-of-distribution instances (i.e., instances whose true labels do not appear in the training distribution) at various levels of detection difficulty. We apply this technique to ImageNet, and benchmark 525 pretrained, publicly available, ImageNet-1k classifiers. The code for generating a benchmark for any ImageNet-1k classifier, along with the benchmarks prepared for the above-mentioned 525 models is available at https://github.com/mdabbah/COOD_benchmarking. The usefulness of the proposed framework and its advantage over alternative existing benchmarks is demonstrated by analyzing the results obtained for these models, which reveals numerous novel observations including: (1) knowledge distillation consistently improves class-out-of-distribution (C-OOD) detection performance; (2) a subset of ViTs performs better C-OOD detection than any other model; (3) the language–-vision CLIP model achieves good zero-shot detection performance, with its best instance outperforming 96% of all other models evaluated; (4) accuracy and in-distribution ranking are positively correlated to C-OOD detection; and (5) we compare various confidence functions for C-OOD detection. Our companion paper, also published in ICLR 2023 (What Can We Learn From The Selective Prediction And Uncertainty Estimation Performance Of 523 Imagenet Classifiers), examines the uncertainty estimation performance (ranking, calibration, and selective prediction performance) of these classifiers in an in-distribution setting.

Models trained via empirical risk minimization (ERM) are known to rely on spurious correlations between labels and task-independent input features, resulting in poor generalization to distributional shifts. Group distributionally robust optimization (G-DRO) can alleviate this problem by minimizing the worst-case loss over a set of pre-defined groups over training data. G-DRO successfully improves performance of the worst group, where the correlation does not hold. However, G-DRO assumes that the spurious correlations and associated worst groups are known in advance, making it challenging to apply them to new tasks with potentially multiple unknown correlations. We propose AGRO---Adversarial Group discovery for Distributionally Robust Optimization---an end-to-end approach that jointly identifies error-prone groups and improves accuracy on them. AGRO equips G-DRO with an adversarial slicing model to find a group assignment for training examples which maximizes worst-case loss over the discovered groups. On the WILDS benchmark, AGRO results in 8\% higher model performance on average on known worst-groups, compared to prior group discovery approaches used with G-DRO. AGRO also improves out-of-distribution performance on SST2, QQP, and MS-COCO---datasets where potential spurious correlations are as yet uncharacterized. Human evaluation of ARGO groups shows that they contain well-defined, yet previously unstudied spurious correlations that lead to model errors.

Multi-view projection methods have demonstrated promising performance on 3D understanding tasks like 3D classification and segmentation. However, it remains unclear how to combine such multi-view methods with the widely available 3D point clouds. Previous methods use unlearned heuristics to combine features at the point level. To this end, we introduce the concept of the multi-view point cloud (Voint cloud), representing each 3D point as a set of features extracted from several view-points. This novel 3D Voint cloud representation combines the compactness of 3D point cloud representation with the natural view-awareness of multi-view representation. Naturally, we can equip this new representation with convolutional and pooling operations. We deploy a Voint neural network (VointNet) to learn representations in the Voint space. Our novel representation achieves state-of-the-art performance on 3D classification, shape retrieval, and robust 3D part segmentation on standard benchmarks ( ScanObjectNN, ShapeNet Core55, and ShapeNet Parts). Further analysis shows that VointNet improves the robustness to occlusion compared to other methods.

We present the Group Propagation Vision Transformer (GPViT): a novel non- hierarchical (i.e. non-pyramidal) transformer model designed for general visual recognition with high-resolution features. High-resolution features (or tokens) are a natural fit for tasks that involve perceiving fine-grained details such as detection and segmentation, but exchanging global information between these features is expensive in memory and computation because of the way self-attention scales. We provide a highly efficient alternative Group Propagation Block (GP Block) to exchange global information. In each GP Block, features are first grouped to- gether by a fixed number of learnable group tokens; we then perform Group Propagation where global information is exchanged between the grouped fea- tures; finally, global information in the updated grouped features is returned back to the image features through a transformer decoder. We evaluate GPViT on a variety of visual recognition tasks including image classification, semantic seg- mentation, object detection, and instance segmentation. Our method achieves significant performance gains over previous works across all tasks, especially on tasks that require high-resolution outputs, for example, our GPViT-L3 out- performs Swin Transformer-B by 2.0 mIoU on ADE20K semantic segmentation with only half as many parameters. Code and pre-trained models are available at https://github.com/ChenhongyiYang/GPViT.

Recently, Transformer-based image restoration networks have achieved promising improvements over convolutional neural networks due to parameter-independent global interactions. To lower computational cost, existing works generally limit self-attention computation within non-overlapping windows. However, each group of tokens are always from a dense area of the image. This is considered as a dense attention strategy since the interactions of tokens are restrained in dense regions. Obviously, this strategy could result in restricted receptive fields. To address this issue, we propose \textbf{A}ttention \textbf{R}etractable \textbf{T}ransformer (ART) for image restoration, which presents both dense and sparse attention modules in the network. The sparse attention module allows tokens from sparse areas to interact and thus provides a wider receptive field. Furthermore, the alternating application of dense and sparse attention modules greatly enhances representation ability of Transformer while providing retractable attention on the input image.We conduct extensive experiments on image super-resolution, denoising, and JPEG compression artifact reduction tasks. Experimental results validate that our proposed ART outperforms state-of-the-art methods on various benchmark datasets both quantitatively and visually. We also provide code and models at~\url{https://github.com/gladzhang/ART}.

Discovering causal relations from observational data becomes possible with additional assumptions such as considering the functional relations to be constrained as nonlinear with additive noise (ANM). Even with strong assumptions, causal discovery involves an expensive search problem over the space of directed acyclic graphs (DAGs). \emph{Topological ordering} approaches reduce the optimisation space of causal discovery by searching over a permutation rather than graph space. For ANMs, the \emph{Hessian} of the data log-likelihood can be used for finding leaf nodes in a causal graph, allowing its topological ordering. However, existing computational methods for obtaining the Hessian still do not scale as the number of variables and the number of samples are increased. Therefore, inspired by recent innovations in diffusion probabilistic models (DPMs), we propose \emph{DiffAN}, a topological ordering algorithm that leverages DPMs for learning a Hessian function. We introduce theory for updating the learned Hessian without re-training the neural network, and we show that computing with a subset of samples gives an accurate approximation of the ordering, which allows scaling to datasets with more samples and variables. We show empirically that our method scales exceptionally well to datasets with up to $500$ nodes and up to $10^5$ samples while still performing on par over small datasets with state-of-the-art causal discovery methods. Implementation is available at \url{https://github.com/vios-s/DiffAN} .

It is essential yet challenging for future home-assistant robots to understand and manipulate diverse 3D objects in daily human environments. Towards building scalable systems that can perform diverse manipulation tasks over various 3D shapes, recent works have advocated and demonstrated promising results learning visual actionable affordance, which labels every point over the input 3D geometry with an action likelihood of accomplishing the downstream task (e.g., pushing or picking-up). However, these works only studied single-gripper manipulation tasks, yet many real-world tasks require two hands to achieve collaboratively. In this work, we propose a novel learning framework, DualAfford, to learn collaborative affordance for dual-gripper manipulation tasks. The core design of the approach is to reduce the quadratic problem for two grippers into two disentangled yet interconnected subtasks for efficient learning. Using the large-scale PartNet-Mobility and ShapeNet datasets, we set up four benchmark tasks for dual-gripper manipulation. Experiments prove the effectiveness and superiority of our method over three baselines. We will release code and data upon acceptance.

Given an unlabeled pool of data and the experts who can label them, active learning aims to build an agent that can effectively acquire data to be queried to the experts, maximizing the gain in performance when trained with them. While there are several principles for active learning, a prevailing approach is to estimate uncertainties of predictions for unlabeled samples and use them to define acquisition functions. Active learning with the uncertainty principle works well for deep learning, especially for large-scale image classification tasks with deep neural networks. Still, it is often overlooked how the uncertainty of predictions is estimated, despite the common findings on the difficulty of accurately estimating uncertainties of deep neural networks. In this paper, we highlight the effectiveness of snapshot ensembles for deep active learning. Compared to the previous approaches based on Monte-Carlo dropout or deep ensembles, we show that a simple acquisition strategy based on uncertainties estimated from parameter snapshots gathered from a single optimization path significantly improves the quality of the acquired samples. Based on this observation, we further propose an efficient active learning algorithm that maintains a single learning trajectory throughout the entire active learning episodes, unlike the existing algorithms training models from scratch for every active learning episode. Through the extensive empirical comparison, we demonstrate the effectiveness of snapshot ensembles for deep active learning.

Federated Averaging (FedAvg) remains the most popular algorithm for Federated Learning (FL) optimization due to its simple implementation, stateless nature, and privacy guarantees combined with secure aggregation. Recent work has sought to generalize the vanilla averaging in FedAvg to a generalized gradient descent step by treating client updates as pseudo-gradients and using a server step size. While the use of a server step size has been shown to provide performance improvement theoretically, the practical benefit of the server step size has not been seen in most existing works. In this work, we present FedExP, a method to adaptively determine the server step size in FL based on dynamically varying pseudo-gradients throughout the FL process. We begin by considering the overparameterized convex regime, where we reveal an interesting similarity between FedAvg and the Projection Onto Convex Sets (POCS) algorithm. We then show how FedExP can be motivated as a novel extension to the extrapolation mechanism that is used to speed up POCS. Our theoretical analysis later also discusses the implications of FedExP in underparameterized and non-convex settings. Experimental results show that FedExP consistently converges faster than FedAvg and competing baselines on a range of realistic FL datasets.

In this work, we explore the maximum-margin bias of quasi-homogeneous neural networks trained with gradient flow on an exponential loss and past a point of separability. We introduce the class of quasi-homogeneous models, which is expressive enough to describe nearly all neural networks with homogeneous activations, even those with biases, residual connections, and normalization layers, while structured enough to enable geometric analysis of its gradient dynamics. Using this analysis, we generalize the existing results of maximum-margin bias for homogeneous networks to this richer class of models. We find that gradient flow implicitly favors a subset of the parameters, unlike in the case of a homogeneous model where all parameters are treated equally. We demonstrate through simple examples how this strong favoritism toward minimizing an asymmetric norm can degrade the robustness of quasi-homogeneous models. On the other hand, we conjecture that this norm-minimization discards, when possible, unnecessary higher-order parameters, reducing the model to a sparser parameterization. Lastly, by applying our theorem to sufficiently expressive neural networks with normalization layers, we reveal a universal mechanism behind the empirical phenomenon of Neural Collapse.

Multi-view image compression plays a critical role in 3D-related applications. Existing methods adopt a predictive coding architecture, which requires joint encoding to compress the corresponding disparity as well as residual information. This demands collaboration among cameras and enforces the epipolar geometric constraint between different views, which makes it challenging to deploy these methods in distributed camera systems with randomly overlapping fields of view. Meanwhile, distributed source coding theory indicates that efficient data compression of correlated sources can be achieved by independent encoding and joint decoding, which motivates us to design a learning-based distributed multi-view image coding (LDMIC) framework. With independent encoders, LDMIC introduces a simple yet effective joint context transfer module based on the cross-attention mechanism at the decoder to effectively capture the global inter-view correlations, which is insensitive to the geometric relationships between images. Experimental results show that LDMIC significantly outperforms both traditional and learning-based MIC methods while enjoying fast encoding speed. Code is released at https://github.com/Xinjie-Q/LDMIC.

We propose a new task to benchmark scene understanding of embodied agents: Situated Question Answering in 3D Scenes (SQA3D). Given a scene context (e.g., 3D scan), SQA3D requires the tested agent to first understand its situation (position, orientation, etc.) in the 3D scene as described by text, then reason about its surrounding environment and answer a question under that situation. Based upon 650 scenes from ScanNet, we provide a dataset centered around 6.8k unique situations, along with 20.4k descriptions and 33.4k diverse reasoning questions for these situations. These questions examine a wide spectrum of reasoning capabilities for an intelligent agent, ranging from spatial relation comprehension to commonsense understanding, navigation, and multi-hop reasoning. SQA3D imposes a significant challenge to current multi-modal especially 3D reasoning models. We evaluate various state-of-the-art approaches and find that the best one only achieves an overall score of 47.20%, while amateur human participants can reach 90.06%. We believe SQA3D could facilitate future embodied AI research with stronger situation understanding and reasoning capability.

Predicting the responses of a cell under perturbations may bring important benefits to drug discovery and personalized therapeutics. In this work, we propose a novel graph variational Bayesian causal inference framework to predict a cell's gene expressions under counterfactual perturbations (perturbations that this cell did not factually receive), leveraging information representing biological knowledge in the form of gene regulatory networks (GRNs) to aid individualized cellular response predictions. Aiming at a data-adaptive GRN, we also developed an adjacency matrix updating technique for graph convolutional networks and used it to refine GRNs during pre-training, which generated more insights on gene relations and enhanced model performance. Additionally, we propose a robust estimator within our framework for the asymptotically efficient estimation of marginal perturbation effect, which is yet to be carried out in previous works. With extensive experiments, we exhibited the advantage of our approach over state-of-the-art deep learning models for individual response prediction.

Adversarial Training using a strong first-order adversary (PGD) is the gold standard for training Deep Neural Networks that are robust to adversarial examples. We show that, contrary to the general understanding of the method, the gradient at an optimal adversarial example may increase, rather than decrease, the adversarially robust loss. This holds independently of the learning rate. More precisely, we provide a counterexample to a corollary of Danskin's Theorem presented in the seminal paper of Madry et al. (2018) which states that a solution of the inner maximization problem can yield a descent direction for the adversarially robust loss. Based on a correct interpretation of Danskin's Theorem, we propose Danskin's Descent Direction (DDi) and we verify experimentally that it provides better directions than those obtained by a PGD adversary. Using the CIFAR10 dataset we further provide a real world example showing that our method achieves a steeper increase in robustness levels in the early stages of training, and is more stable than the PGD baseline. As a limitation, PGD training of ReLU+BatchNorm networks still performs better, but current theory is unable to explain this.

We study dynamic algorithms robust to adaptive input generated from sources with bounded capabilities, such as sparsity or limited interaction. For example, we consider robust linear algebraic algorithms when the updates to the input are sparse but given by an adversary with access to a query oracle. We also study robust algorithms in the standard centralized setting, where an adversary queries an algorithm in an adaptive manner, but the number of interactions between the adversary and the algorithm is bounded. We first recall a unified framework of (Hassidim et al., 2020; Beimel et al., 2022; Attias et al., 2023) for answering $Q$ adaptive queries that incurs $\widetilde{\mathcal{O}}(\sqrt{Q})$ overhead in space, which is roughly a quadratic improvement over the na\"{i}ve implementation, and only incurs a logarithmic overhead in query time. Although the general framework has diverse applications in machine learning and data science, such as adaptive distance estimation, kernel density estimation, linear regression, range queries, point queries, and serves as a preliminary benchmark, we demonstrate even better algorithmic improvements for (1) reducing the pre-processing time for adaptive distance estimation and (2) permitting an unlimited number of adaptive queries for kernel density estimation. Finally, we complement our theoretical results with additional empirical evaluations.

Natural language inference (NLI) aims to determine the logical relationship between two sentences, such as Entailment, Contradiction, and Neutral. In recent years, deep learning models have become a prevailing approach to NLI, but they lack interpretability and explainability. In this work, we address the explainability of NLI by weakly supervised logical reasoning, and propose an Explainable Phrasal Reasoning (EPR) approach. Our model first detects phrases as the semantic unit and aligns corresponding phrases in the two sentences. Then, the model predicts the NLI label for the aligned phrases, and induces the sentence label by fuzzy logic formulas. Our EPR is almost everywhere differentiable and thus the system can be trained end to end. In this way, we are able to provide explicit explanations of phrasal logical relationships in a weakly supervised manner. We further show that such reasoning results help textual explanation generation.

We present 3DiM (pronounced "three-dim"), a diffusion model for 3D novel view synthesis from as few as a single image. The core of 3DiM is an image-to-image diffusion model -- 3DiM takes a single reference view and their poses as inputs, and generates a novel view via diffusion. 3DiM can then generate a full 3D consistent scene following our novel stochastic conditioning sampler: the output frames of the scene are generated autoregressively, and during the reverse diffusion process of each individual frame, we select a random conditioning frame from the set of previous frames at each denoising step. We demonstrate that stochastic conditioning yields much more 3D consistent results compared to the naive sampling process which only conditions on a single previous frame. We compare 3DiMs to prior work on the SRN ShapeNet dataset, demonstrating that 3DiM's generated videos from a single view achieve much higher fidelity while being approximately 3D consistent. We also introduce a new evaluation methodology, 3D consistency scoring, to measure the 3D consistency of a generated object by training a neural field on the model's output views. 3DiMs are geometry free, do not rely on hyper-networks or test-time optimization for novel view synthesis, and allow a single model to easily scale to a large number of scenes.

Due to their superior results, Transformer-based models such as BERT have become de facto standards in many Natural Language Processing (NLP) applications. However, the intensive use of complex non-linear functions within the Transformer architecture impairs its computing efficiency and complicates corresponding accelerator designs, because non-linear functions are generally computation-intensive and require special hardware support. In light of this, we propose MA-BERT, which allows matrix arithmetic-only operations in Transformer-based NLP models and achieves efficient inference with negligible accuracy loss. Specifically, we propose four correlated techniques that include approximating softmax with a two-layer neural network, replacing GELU with ReLU, fusing normalization layers with adjacent linear layers, and leveraging knowledge transfer from baseline models. Through these techniques, we are able to eliminate the major non-linear functions in Transformer-based models and obtain MA-BERT with only matrix arithmetic and trivial ReLU operations without compromising on accuracy. With mainly regular matrix arithmetic operations, MA-BERT enables hardware-friendly processing on various computing engines, including CPUs and GPUs. Our experimental results show that MA-BERT achieves up to 27% and 41% reduction in inference time on CPU and GPU, respectively, with comparable accuracy on many downstream tasks compared to the baseline BERT models.