ICLR 2023 Papers

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the $18$ datasets in the OpenML-CC18 suite that contain up to 1000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to $230\times$ speedup. This increases to a $5\,700\times$ speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

Decoupling representation learning and classifier learning has been shown to be effective in classification with long-tailed data. There are two main ingredients in constructing a decoupled learning scheme; 1) how to train the feature extractor for representation learning so that it provides generalizable representations and 2) how to re-train the classifier that constructs proper decision boundaries by handling class imbalances in long-tailed data. In this work, we first apply Stochastic Weight Averaging (SWA), an optimization technique for improving the generalization of deep neural networks, to obtain better generalizing feature extractors for long-tailed classification. We then propose a novel classifier re-training algorithm based on stochastic representation obtained from the SWA-Gaussian, a Gaussian perturbed SWA, and a self-distillation strategy that can harness the diverse stochastic representations based on uncertainty estimates to build more robust classifiers. Extensive experiments on CIFAR10/100-LT, ImageNet-LT, and iNaturalist-2018 benchmarks show that our proposed method improves upon previous methods both in terms of prediction accuracy and uncertainty estimation.

Federated learning (FL) is an emerging distributed learning framework that collaboratively trains a shared model without transferring the local clients' data to a centralized server. Motivated by concerns stemming from extended communication and potential attacks, one-shot FL limits communication to a single round while attempting to retain performance. However, one-shot FL methods often degrade under high statistical heterogeneity, fail to promote pipeline security, or require an auxiliary public dataset. To address these limitations, we propose two novel data-free one-shot FL methods: FedCVAE-Ens and its extension FedCVAE-KD. Both approaches reframe the local learning task using a conditional variational autoencoder (CVAE) to address high statistical heterogeneity. Furthermore, FedCVAE-KD leverages knowledge distillation to compress the ensemble of client decoders into a single decoder. We propose a method that shifts the center of the CVAE prior distribution and experimentally demonstrate that this promotes security, and show how either method can incorporate heterogeneous local models. We confirm the efficacy of the proposed methods over baselines under high statistical heterogeneity using multiple benchmark datasets. In particular, at the highest levels of statistical heterogeneity, both FedCVAE-Ens and FedCVAE-KD typically more than double the accuracy of the baselines.

Deep neural networks (DNNs) often have to be compressed, via pruning and/or quantization, before they can be deployed in practical settings. In this work we propose a new compression-aware minimizer dubbed CrAM that modifies the optimization step in a principled way, in order to produce models whose local loss behavior is stable under compression operations such as pruning. Thus, dense models trained via CrAM should be compressible post-training, in a single step, without significant accuracy loss. Experimental results on standard benchmarks, such as residual networks for ImageNet classification and BERT models for language modelling, show that CrAM produces dense models that can be more accurate than the standard SGD/Adam-based baselines, but which are stable under weight pruning: specifically, we can prune models in one-shot to 70-80% sparsity with almost no accuracy loss, and to 90% with reasonable (∼ 1%) accuracy loss, which is competitive with gradual compression methods. Additionally, CrAM can produce sparse models which perform well for transfer learning, and it also works for semi-structured 2:4 pruning patterns supported by GPU hardware. The code for reproducing the results is available at: https://github.com/IST-DASLab/CrAM .

State-of-the-art computer vision models are mostly trained with supervised learning using human-labeled images, which limits their scalability due to the expensive annotation cost. While self-supervised representation learning has achieved impressive progress, it still requires a second stage of finetuning on labeled data. On the other hand, models pre-trained with large-scale text supervision (e.g., CLIP) have enabled zero-shot transfer to downstream image classification tasks. However, the zero-shot performance of CLIP-like models are often insufficient for real-world adoption. In this paper, we aim to leverage the abundant unlabeled data from a target domain to improve the performance of a pre-trained zero-shot classifier, by unsupervised finetuning of the pre-trained model. We propose Masked Unsupervised Self-Training (MUST), a new approach which leverages two different and complimentary sources of training signals: pseudo-labels and raw images. MUST jointly optimizes three objectives to learn both class-level global feature and pixel-level local feature and enforces a regularization between the two. We demonstrate the efficacy of MUST on 8 downstream tasks across a variety of domains, where it improves upon CLIP by a large margin. MUST also outperforms supervised few-shot adaptation methods. It achieves a top-1 accuracy of 77.7% on ImageNet using ViT-B, +9.4% higher than CLIP, and +6.2% higher than 16-shot CLIP adaptation. Our code is available at https://github.com/salesforce/MUST.

Studies on benign overfitting provide insights for the success of overparameterized deep learning models. In this work, we examine whether overfitting is truly benign in real-world classification tasks. We start with the observation that a ResNet model overfits benignly on Cifar10 but not benignly on ImageNet. To understand why benign overfitting fails in the ImageNet experiment, we theoretically analyze benign overfitting under a more restrictive setup where the number of parameters is not significantly larger than the number of data points. Under this mild overparameterization setup, our analysis identifies a phase change: unlike in the previous heavy overparameterization settings, benign overfitting can now fail in the presence of label noise. Our analysis explains our empirical observations, and is validated by a set of control experiments with ResNets. Our work highlights the importance of understanding implicit bias in underfitting regimes as a future direction.

Strategic classification studies learning in settings where users can modify their features to obtain favorable predictions. Most current works focus on simple classifiers that trigger independent user responses. Here we examine the implications of learning with more elaborate models that break the independence assumption. Motivated by the idea that applications of strategic classification are often social in nature, we focus on graph neural networks, which make use of social relations between users to improve predictions. Using a graph for learning introduces inter-user dependencies in prediction; our key point is that strategic users can exploit these to promote their goals. As we show through analysis and simulation, this can work either against the system---or for it. Based on this, we propose a differentiable framework for strategically-robust learning of graph-based classifiers. Experiments on several real networked datasets demonstrate the utility of our approach.

There is a recent trend of applying multi-agent reinforcement learning (MARL) to train an agent that can cooperate with humans in a zero-shot fashion without using any human data. The typical workflow is to first repeatedly run self-play (SP) to build a policy pool and then train the final adaptive policy against this pool. A crucial limitation of this framework is that every policy in the pool is optimized w.r.t. the environment reward function, which implicitly assumes that the testing partners of the adaptive policy will be precisely optimizing the same reward function as well. However, human objectives are often substantially biased according to their own preferences, which can differ greatly from the environment reward. We propose a more general framework, Hidden-Utility Self-Play (HSP), which explicitly models human biases as hidden reward functions in the self-play objective. By approximating the reward space as linear functions, HSP adopts an effective technique to generate an augmented policy pool with biased policies. We evaluate HSP on the Overcooked benchmark. Empirical results show that our HSP method produces higher rewards than baselines when cooperating with learned human models, manually scripted policies, and real humans. The HSP policy is also rated as the most assistive policy based on human feedback.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

We introduce compositional soft prompting (CSP), a parameter-efficient learning technique to improve the zero-shot compositionality of large-scale pretrained vision-language models (VLMs) like CLIP. We develop CSP for compositional zero-shot learning, the task of predicting unseen attribute-object compositions (e.g., old cat and young tiger). VLMs have a flexible text encoder that can represent arbitrary classes as natural language prompts but they often underperform task-specific architectures on the compositional zero-shot benchmark datasets. CSP treats the attributes and objects that define classes as learnable tokens of vocabulary. During training, the vocabulary is tuned to recognize classes that compose tokens in multiple ways (e.g., old cat and white cat). At test time, we recompose the learned attribute-object vocabulary in new combinations to recognize novel classes. We show that CSP outperforms the CLIP on benchmark datasets by an average of 10.9 percentage points on AUC. CSP also outperforms CoOp, a soft prompting method that fine-tunes the prefix context tokens, by an average of 5.8 percentage points on AUC. We perform additional experiments to show that CSP improves generalization to higher-order attribute-attribute-object compositions (e.g., old white cat) and combinations of pretrained attributes and fine-tuned objects. The code is available at https://github.com/BatsResearch/csp.

Recent works indicate that convolutional neural networks (CNN) need large receptive fields (RF) to compete with visual transformers and their attention mechanism. In CNNs, RFs can simply be enlarged by increasing the convolution kernel sizes. Yet the number of trainable parameters, which scales quadratically with the kernel's size in the 2D case, rapidly becomes prohibitive, and the training is notoriously difficult. This paper presents a new method to increase the RF size without increasing the number of parameters. The dilated convolution (DC) has already been proposed for the same purpose. DC can be seen as a convolution with a kernel that contains only a few non-zero elements placed on a regular grid. Here we present a new version of the DC in which the spacings between the non-zero elements, or equivalently their positions, are no longer fixed but learnable via backpropagation thanks to an interpolation technique. We call this method “Dilated Convolution with Learnable Spacings” (DCLS) and generalize it to the n-dimensional convolution case. However, our main focus here will be on the 2D case. We first tried our approach on ResNet50: we drop-in replaced the standard convolutions with DCLS ones, which increased the accuracy of ImageNet1k classification at iso-parameters, but at the expense of the throughput. Next, we used the recent ConvNeXt state-of-the-art convolutional architecture and drop-in replaced the depthwise convolutions with DCLS ones. This not only increased the accuracy of ImageNet1k classification but also of typical downstream and robustness tasks, again at iso-parameters but this time with negligible cost on throughput, as ConvNeXt uses separable convolutions. Conversely, classic DC led to poor performance with both ResNet50 and ConvNeXt. The code of the method is based on PyTorch and available at: https://github.com/K-H-Ismail/Dilated-Convolution-with-Learnable-Spacings-PyTorch.

Pretrained large-scale vision-language models like CLIP have exhibited strong generalization over unseen tasks. Yet imperceptible adversarial perturbations can significantly reduce CLIP's performance on new tasks. In this work, we identify and explore the problem of adapting large-scale models for zero-shot adversarial robustness. We first identify two key factors during model adaption--training losses and adaptation methods--that affect the model's zero-shot adversarial robustness. We then propose a text-guided contrastive adversarial training loss, which aligns the text embeddings and the adversarial visual features with contrastive learning on a small set of training data. We apply this training loss to two adaption methods, model finetuning and visual prompt tuning. We find that visual prompt tuning is more effective in the absence of texts, while finetuning wins in the existence of text guidance. Overall, our approach significantly improves the zero-shot adversarial robustness over CLIP, seeing an average improvement of 31 points over ImageNet and 15 zero-shot datasets. We hope this work can shed light on understanding the zero-shot adversarial robustness of large-scale models.

Records in a table are represented by a collection of heterogeneous scalar features. Previous work often made predictions for records in a paradigm that processed each feature as an operating unit, which requires to well cope with the heterogeneity. In this paper, we propose to encapsulate all feature values of a record into vectorial features and process them collectively rather than have to deal with individual ones, which directly captures the representations at the data level and benefits robust performances. Specifically, we adopt the concept of "capsules" to organize features into vectorial features, and devise a novel capsule neural network called "TabCaps" to process the vectorial features for classification. In TabCaps, a record is encoded into several vectorial features by some optimizable multivariate Gaussian kernels in the primary capsule layer, where each vectorial feature represents a specific "profile" of the input record and is transformed into senior capsule layer under the guidance of a new straightforward routing algorithm. The design of routing algorithm is motivated by the Bag-of-Words (BoW) model, which performs capsule feature grouping straightforwardly and efficiently, in lieu of the computationally complex clustering of previous routing algorithms. Comprehensive experiments show that TabCaps achieves competitive and robust performances in tabular data classification tasks.

Text classifiers have promising applications in high-stake tasks such as resume screening and content moderation. These classifiers must be fair and avoid discriminatory decisions by being invariant to perturbations of sensitive attributes such as gender or ethnicity. However, there is a gap between human intuition about these perturbations and the formal similarity specifications capturing them. While existing research has started to address this gap, current methods are based on hardcoded word replacements, resulting in specifications with limited expressivity or ones that fail to fully align with human intuition (e.g., in cases of asymmetric counterfactuals). This work proposes novel methods for bridging this gap by discovering expressive and intuitive individual fairness specifications. We show how to leverage unsupervised style transfer and GPT-3's zero-shot capabilities to automatically generate expressive candidate pairs of semantically similar sentences that differ along sensitive attributes. We then validate the generated pairs via an extensive crowdsourcing study, which confirms that a lot of these pairs align with human intuition about fairness in the context of toxicity classification. Finally, we show how limited amounts of human feedback can be leveraged to learn a similarity specification that can be used to train downstream fairness-aware models.

A zero-shot RL agent is an agent that can solve any RL task in a given environment, instantly with no additional planning or learning, after an initial reward-free learning phase. This marks a shift from the reward-centric RL paradigm towards controllable agents that can follow arbitrary instructions in an environment. Current RL agents can solve families of related tasks at best, or require planning anew for each task. Strategies for approximate zero-shot RL have been suggested using successor features (SFs) (Borsa et al., 2018) or forward-backward (FB) representations (Touati & Ollivier, 2021), but testing has been limited. After clarifying the relationships between these schemes, we introduce improved losses and new SF models, and test the viability of zero-shot RL schemes systematically on tasks from the Unsupervised RL benchmark (Laskin et al., 2021). To disentangle universal representation learning from exploration, we work in an offline setting and repeat the tests on several existing replay buffers. SFs appear to suffer from the choice of the elementary state features. SFs with Laplacian eigenfunctions do well, while SFs based on auto-encoders, inverse curiosity, transition models, low-rank transition matrix, contrastive learning, or diversity (APS), perform unconsistently. In contrast, FB representations jointly learn the elementary and successor features from a single, principled criterion. They perform best and consistently across the board, reaching $85\%$ of supervised RL performance with a good replay buffer, in a zero-shot manner.

Large-scale pre-trained multi-modal models (e.g., CLIP) demonstrate strong zero-shot transfer capability in many discriminative tasks, e.g., image classification. Their adaptation to zero-shot image-conditioned text generation tasks has drawn increasing interest. Prior arts approach to zero-shot captioning by either utilizing the existing large language models (e.g., GPT-2) or pre-training the encoder-decoder network in an end-to-end manner. However, the large language models may not generate sensible descriptions due to the task discrepancy between captioning and language modeling, while the end-to-end pre-training requires paired data and extensive computational resources. In this work, we propose a simple framework, named DeCap, for zero-shot captioning. We introduce a lightweight visual-aware language decoder. This decoder is both data-efficient and computation-efficient: 1) it only requires the \textit{text} data for training, easing the burden on the collection of paired data. 2) it does not require end-to-end training. When trained with text-only data, the decoder takes the text embedding extracted from the off-the-shelf CLIP encoder as a prefix embedding. The challenge is that the decoder is trained on the text corpus but at the inference stage, it needs to generate captions based on visual inputs. Though the CLIP text embedding and the visual embedding are correlated, the \textit{modality gap} issue is widely observed in multi-modal contrastive models that prevents us from directly taking the visual embedding as the prefix embedding. We propose a training-free mechanism to reduce the modality gap. We project the visual embedding into the CLIP text embedding space, while the projected embedding retains the information of the visual input. Taking the projected embedding as the prefix embedding, the decoder generates high-quality descriptions that match the visual input. The experiments show that DeCap outperforms other zero-shot captioning methods and unpaired captioning methods by a large margin on the typical image captioning benchmarks, i.e., MSCOCO and NoCaps. We apply DeCap to video captioning and achieve state-of-the-art zero-shot performance on MSR-VTT and ActivityNet-Captions. The code is available at https://github.com/dhg-wei/DeCap.

The conventional few-shot classification aims at learning a model on a large labeled base dataset and rapidly adapting to a target dataset that is from the same distribution as the base dataset. However, in practice, the base and the target datasets of few-shot classification are usually from different domains, which is the problem of cross-domain few-shot classification. We tackle this problem by making a small proportion of unlabeled images in the target domain accessible in the training stage. In this setup, even though the base data are sufficient and labeled, the large domain shift still makes transferring the knowledge from the base dataset difficult. We meticulously design a cross-level knowledge distillation method, which can strengthen the ability of the model to extract more discriminative features in the target dataset by guiding the network's shallow layers to learn higher-level information. Furthermore, in order to alleviate the overfitting in the evaluation stage, we propose a feature denoising operation which can reduce the feature redundancy and mitigate overfitting. Our approach can surpass the previous state-of-the-art method, Dynamic-Distillation, by 5.44% on 1-shot and 1.37% on 5-shot classification tasks on average in the BSCD-FSL benchmark. The implementation code will be available at https://gitee.com/mindspore/models/tree/master/research/cv/CLDFD.

Textual content is often the output of a collaborative writing process: We start with an initial draft, ask for suggestions, and repeatedly make changes. Agnostic of this process, today’s language models are trained to generate only the final result. As a consequence, they lack several abilities crucial for collaborative writing: They are unable to update existing texts, difficult to control and incapable of verbally planning or explaining their actions. To address these shortcomings, we introduce PEER, a collaborative language model that is trained to imitate the entire writing process itself. PEER can write drafts, add suggestions, propose edits and provide explanations for its actions. Crucially, we train multiple instances of PEER able to infill various parts of the writing process, enabling the use of self-training techniques for increasing the quality, amount and diversity of training data. This unlocks PEER's full potential by making it applicable in domains for which no edit histories are available and improving its ability to follow instructions, to write useful comments, and to explain its actions. We show that PEER achieves strong performance across various domains and editing tasks.

Recent work has achieved remarkable zero-shot performance with multi-task prompted pretraining, but little has been understood. For the first time, we show that training on a small number of key tasks beats using all the training tasks, while removing these key tasks substantially hurts performance. We also find that these key tasks are mostly question answering (QA) tasks. These novel findings combined deepen our understanding about zero-shot generalization—training on certain tasks such as QA encodes general knowledge transferable to a wide range of tasks. In addition, to automate this procedure, we devise a method that (1) identifies key training tasks without observing the test tasks by examining the pairwise generalization results and (2) resamples training tasks for better data distribution. Empirically, our approach achieves improved results across various model scales and tasks.