ICLR 2023 Papers

We propose a method for learning topology-preserving data representations (dimensionality reduction). The method aims to provide topological similarity between the data manifold and its latent representation via enforcing the similarity in topological features (clusters, loops, 2D voids, etc.) and their localization. The core of the method is the minimization of the Representation Topology Divergence (RTD) between original high-dimensional data and low-dimensional representation in latent space. RTD minimization provides closeness in topological features with strong theoretical guarantees. We develop a scheme for RTD differentiation and apply it as a loss term for the autoencoder. The proposed method "RTD-AE" better preserves the global structure and topology of the data manifold than state-of-the-art competitors as measured by linear correlation, triplet distance ranking accuracy, and Wasserstein distance between persistence barcodes.

Contrastive learning methods train visual encoders by comparing views (e.g., often created via a group of data augmentations on the same instance) from one instance to others. Typically, the views created from one instance are set as positive, while views from other instances are negative. This binary instance discrimination is studied extensively to improve feature representations in self-supervised learning. In this paper, we rethink the instance discrimination framework and find the binary instance labeling insufficient to measure correlations between different samples. For an intuitive example, given a random image instance, there may exist other images in a mini-batch whose content meanings are the same (i.e., belonging to the same category) or partially related (i.e., belonging to a similar category). How to treat the images that correlate similarly to the current image instance leaves an unexplored problem. We thus propose to support the current image by exploring other correlated instances (i.e., soft neighbors). We first carefully cultivate a candidate neighbor set, which will be further utilized to explore the highly-correlated instances. A cross-attention module is then introduced to predict the correlation score (denoted as positiveness) of other correlated instances with respect to the current one. The positiveness score quantitatively measures the positive support from each correlated instance, and is encoded into the objective for pretext training. To this end, our proposed method benefits in discriminating uncorrelated instances while absorbing correlated instances for SSL. We evaluate our soft neighbor contrastive learning method (SNCLR) on standard visual recognition benchmarks, including image classification, object detection, and instance segmentation. The state-of-the-art recognition performance shows that SNCLR is effective in improving feature representations from both ViT and CNN encoders.

Unsupervised meta-learning (UML) essentially shares the spirit of self-supervised learning (SSL) in that their goal aims at learning models without any human supervision so that the models can be adapted to downstream tasks. Further, the learning objective of self-supervised learning, which pulls positive pairs closer and repels negative pairs, also resembles metric-based meta-learning. Metric-based meta-learning is one of the most successful meta-learning methods, which learns to minimize the distance between representations from the same class. One notable aspect of metric-based meta-learning, however, is that it is widely interpreted as a set-level problem since the inference of discriminative class prototypes (or set representations) from few examples is crucial for the performance of downstream tasks. Motivated by this, we propose Set-SimCLR, a novel self-supervised set representation learning framework for targeting UML problem. Specifically, our Set-SimCLR learns a set encoder on top of instance representations to maximize the agreement between two sets of augmented samples, which are generated by applying stochastic augmentations to a given image. We theoretically analyze how our proposed set representation learning can potentially improve the generalization performance at the meta-test. We also empirically validate its effectiveness on various benchmark datasets, showing that Set-SimCLR largely outperforms both UML and instance-level self-supervised learning baselines.

Offline reinforcement learning (RL) struggles in environments with rich and noisy inputs, where the agent only has access to a fixed dataset without environment interactions. Past works have proposed common workarounds based on the pre-training of state representations, followed by policy training. In this work, we introduce a simple, yet effective approach for learning state representations. Our method, Behavior Prior Representation (BPR), learns state representations with an easy-to-integrate objective based on behavior cloning of the dataset: we first learn a state representation by mimicking actions from the dataset, and then train a policy on top of the fixed representation, using any off-the-shelf Offline RL algorithm. Theoretically, we prove that BPR carries out performance guarantees when integrated into algorithms that have either policy improvement guarantees (conservative algorithms) or produce lower bounds of the policy values (pessimistic algorithms). Empirically, we show that BPR combined with existing state-of-the-art Offline RL algorithms leads to significant improvements across several offline control benchmarks. The code is available at \url{https://github.com/bit1029public/offline_bpr}

Time series classification is an important problem in the real world. Due to its non-stationary property that the distribution changes over time, it remains challenging to build models for generalization to unseen distributions. In this paper, we propose to view time series classification from the distribution perspective. We argue that the temporal complexity of a time series dataset could attribute to unknown latent distributions that need characterize. To this end, we propose DIVERSIFY for out-of-distribution (OOD) representation learning on dynamic distributions of times series. DIVERSIFY takes an iterative process: it first obtains the ‘worst-case’ latent distribution scenario via adversarial training, then reduces the gap between these latent distributions. We then show that such an algorithm is theoretically supported. Extensive experiments are conducted on seven datasets with different OOD settings across gesture recognition, speech commands recognition, wearable stress and affect detection, and sensor-based human activity recognition. Qualitative and quantitative results demonstrate that DIVERSIFY significantly outperforms other baselines and effectively characterizes the latent distributions. Code is available at https://github.com/microsoft/robustlearn.

We introduce the Conditional Independence Regression CovariancE (CIRCE), a measure of conditional independence for multivariate continuous-valued variables. CIRCE applies as a regularizer in settings where we wish to learn neural features $\varphi(X)$ of data $X$ to estimate a target $Y$, while being conditionally independent of a distractor $Z$ given $Y$. Both $Z$ and $Y$ are assumed to be continuous-valued but relatively low dimensional, whereas $X$ and its features may be complex and high dimensional. Relevant settings include domain-invariant learning, fairness, and causal learning. The procedure requires just a single ridge regression from $Y$ to kernelized features of $Z$, which can be done in advance. It is then only necessary to enforce independence of $\varphi(X)$ from residuals of this regression, which is possible with attractive estimation properties and consistency guarantees. By contrast, earlier measures of conditional feature dependence require multiple regressions for each step of feature learning, resulting in more severe bias and variance, and greater computational cost. When sufficiently rich features are used, we establish that CIRCE is zero if and only if $\varphi(X) \perp \!\!\! \perp Z \mid Y$. In experiments, we show superior performance to previous methods on challenging benchmarks, including learning conditionally invariant image features. Code for image data experiments is available at github.com/namratadeka/circe.

The development of CLIP [Radford et al., 2021] has sparked a debate on whether adding language supervision can yield vision models with more transferable representations than traditional image-only methods. Our work studies this question through a carefully controlled comparison of two approaches, in terms of their ability to learn representations that generalize to downstream classification tasks. We find that when the pre-training data meets certain criteria---it is sufficiently large and contains descriptive captions with low variability----image-only methods do not match CLIP's performance even when they are trained with more image data. However, contrary to what one might expect, there are practical settings in which these criteria are not met, wherein added supervision through captions is actually detrimental. Motivated by our findings, we devise simple data and algorithmic interventions to improve the transfer performance of CLIP-style models.

In deep reinforcement learning (RL), useful information about the state is inherently tied to its possible future successors. Consequently, encoding features that capture the hierarchical relationships between states into the model's latent representations is often conducive to recovering effective policies. In this work, we study a new class of deep RL algorithms that promote encoding such relationships by using hyperbolic space to model latent representations. However, we find that a naive application of existing methodology from the hyperbolic deep learning literature leads to fatal instabilities due to the non-stationarity and variance characterizing common gradient estimators in RL. Hence, we design a new general method that directly addresses such optimization challenges and enables stable end-to-end learning with deep hyperbolic representations. We empirically validate our framework by applying it to popular on-policy and off-policy RL algorithms on the Procgen and Atari 100K benchmarks, attaining near universal performance and generalization benefits. Given its natural fit, we hope this work will inspire future RL research to consider hyperbolic representations as a standard tool.

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).

Complex Query Answering (CQA) over Knowledge Graphs (KGs) has attracted a lot of attention to potentially support many applications. Given that KGs are usually incomplete, neural models are proposed to answer the logical queries by parameterizing set operators with complex neural networks. However, such methods usually train neural set operators with a large number of entity and relation embeddings from the zero, where whether and how the embeddings or the neural set operators contribute to the performance remains not clear. In this paper, we propose a simple framework for complex query answering that decomposes the KG embeddings from neural set operators. We propose to represent the complex queries into the query graph. On top of the query graph, we propose the Logical Message Passing Neural Network (LMPNN) that connects the local one-hop inferences on atomic formulas to the global logical reasoning for complex query answering. We leverage existing effective KG embeddings to conduct one-hop inferences on atomic formulas, the results of which are regarded as the messages passed in LMPNN. The reasoning process over the overall logical formulas is turned into the forward pass of LMPNN that incrementally aggregates local information to finally predict the answers' embeddings. The complex logical inference across different types of queries will then be learned from training examples based on the LMPNN architecture. Theoretically, our query-graph represenation is more general than the prevailing operator-tree formulation, so our approach applies to a broader range of complex KG queries. Empirically, our approach yields the new state-of-the-art neural CQA model. Our research bridges the gap between complex KG query answering tasks and the long-standing achievements of knowledge graph representation learning. Our implementation can be found at https://github.com/HKUST-KnowComp/LMPNN.

We theoretically study lifelong reinforcement learning (RL) with linear representation in a regret minimization setting. The goal of the agent is to learn a multi-task policy based on a linear representation while solving a sequence of tasks that may be adaptively chosen based on the agent's past behaviors. We frame the problem as a linearly parameterized contextual Markov decision process (MDP), where each task is specified by a context and the transition dynamics is context-independent, and we introduce a new completeness-style assumption on the representation which is sufficient to ensure the optimal multi-task policy is realizable under the linear representation. Under this assumption, we propose an algorithm, called UCB Lifelong Value Distillation (UCBlvd), that provably achieves sublinear regret for any sequence of tasks while using only sublinear planning calls. Specifically, for $K$ task episodes of horizon $H$, our algorithm has a regret bound $\tilde{\mathcal{O}}(\sqrt{(d^3+d^\prime d)H^4K})$ using $\mathcal{O}(dH\log(K))$ number of planning calls, where $d$ and $d^\prime$ are the feature dimensions of the dynamics and rewards, respectively. This theoretical guarantee implies that our algorithm can enable a lifelong learning agent to learn to internalize experiences into a multi-task policy and rapidly solve new tasks.

A grand goal in deep learning research is to learn representations capable of generalizing across distribution shifts. Disentanglement is one promising direction aimed at aligning a model's representation with the underlying factors generating the data (e.g. color or background). Existing disentanglement methods, however, rely on an often unrealistic assumption: that factors are statistically independent. In reality, factors (like object color and shape) are correlated. To address this limitation, we consider the use of a relaxed disentanglement criterion -- the Hausdorff Factorized Support (HFS) criterion -- that encourages only pairwise factorized support, rather than a factorial distribution, by minimizing a Hausdorff distance. This allows for arbitrary distributions of the factors over their support, including correlations between them. We show that the use of HFS consistently facilitates disentanglement and recovery of ground-truth factors across a variety of correlation settings and benchmarks, even under severe training correlations and correlation shifts, with in parts over +60% in relative improvement over existing disentanglement methods. In addition, we find that leveraging HFS for representation learning can even facilitate transfer to downstream tasks such as classification under distribution shifts. We hope our original approach and positive empirical results inspire further progress on the open problem of robust generalization. Code available at https://github.com/facebookresearch/disentangling-correlated-factors.

The robustness of machine learning algorithms to distributions shift is primarily discussed in the context of supervised learning (SL). As such, there is a lack of insight on the robustness of the representations learned from unsupervised methods, such as self-supervised learning (SSL) and auto-encoder based algorithms (AE), to distribution shift. We posit that the input-driven objectives of unsupervised algorithms lead to representations that are more robust to distribution shift than the target-driven objective of SL. We verify this by extensively evaluating the performance of SSL and AE on both synthetic and realistic distribution shift datasets. Following observations that the linear layer used for classification itself can be susceptible to spurious correlations, we evaluate the representations using a linear head trained on a small amount of out-of-distribution (OOD) data, to isolate the robustness of the learned representations from that of the linear head. We also develop “controllable” versions of existing realistic domain generalisation datasets with adjustable degrees of distribution shifts. This allows us to study the robustness of different learning algorithms under versatile yet realistic distribution shift conditions. Our experiments show that representations learned from unsupervised learning algorithms generalise better than SL under a wide variety of extreme as well as realistic distribution shifts.

Probabilistic logical rule learning has shown great strength in logical rule mining and knowledge graph completion. It learns logical rules to predict missing edges by reasoning on existing edges in the knowledge graph. However, previous efforts have largely been limited to only modeling chain-like Horn clauses such as R1(x; z) ^ R2(z; y) ) H(x; y). This formulation overlooks additional contextual information from neighboring sub-graphs of entity variables x, y and z. Intuitively, there is a large gap here, as local sub-graphs have been found to provide important information for knowledge graph completion. Inspired by these observations, we propose Logical Entity RePresentation (LERP) to encode contextual information of entities in the knowledge graph. A LERP is designed as a vector of probabilistic logical functions on the entity’s neighboring sub-graph. It is an interpretable representation while allowing for differentiable optimization. We can then incorporate LERP into probabilistic logical rule learning to learn more expressive rules. Empirical results demonstrate that with LERP, our model outperforms other rule learning methods in knowledge graph completion and is comparable or even superior to state-of-the-art black-box methods. Moreover, we find that our model can discover a more expressive family of logical rules. LERP can also be further combined with embedding learning methods like TransE to make it more interpretable.

Semi-supervised learning aims to train a model using limited labels. State-of-the-art semi-supervised methods for image classification such as PAWS rely on self-supervised representations learned with large-scale unlabeled but curated data. However, PAWS is often less effective when using real-world unlabeled data that is uncurated, e.g., contains out-of-class data. We propose RoPAWS, a robust extension of PAWS that can work with real-world unlabeled data. We first reinterpret PAWS as a generative classifier that models densities using kernel density estimation. From this probabilistic perspective, we calibrate its prediction based on the densities of labeled and unlabeled data, which leads to a simple closed-form solution from the Bayes' rule. We demonstrate that RoPAWS significantly improves PAWS for uncurated Semi-iNat by +5.3% and curated ImageNet by +0.4%.

Although much of the success of Deep Learning builds on learning good representations, a rigorous method to evaluate their quality is lacking. In this paper, we treat the evaluation of representations as a model selection problem and propose to use the Minimum Description Length (MDL) principle to devise an evaluation metric. Contrary to the established practice of limiting the capacity of the readout model, we design a hybrid discrete and continuous-valued model space for the readout models and employ a switching strategy to combine their predictions. The MDL score takes model complexity, as well as data efficiency into account. As a result, the most appropriate model for the specific task and representation will be chosen, making it a unified measure for comparison. The proposed metric can be efficiently computed with an online method and we present results for pre-trained vision encoders of various architectures (ResNet and ViT) and objective functions (supervised and self-supervised) on a range of downstream tasks. We compare our methods with accuracy-based approaches and show that the latter are inconsistent when multiple readout models are used. Finally, we discuss important properties revealed by our evaluations such as model scaling, preferred readout model, and data efficiency.

Language models are defined over a finite set of inputs, which creates a vocabulary bottleneck when we attempt to scale the number of supported languages. Tackling this bottleneck results in a trade-off between what can be represented in the embedding matrix and computational issues in the output layer. This paper introduces PIXEL, the Pixel-based Encoder of Language, which suffers from neither of these issues. PIXEL is a pretrained language model that renders text as images, making it possible to transfer representations across languages based on orthographic similarity or the co-activation of pixels. PIXEL is trained to reconstruct the pixels of masked patches instead of predicting a distribution over tokens. We pretrain the 86M parameter PIXEL model on the same English data as BERT and evaluate on syntactic and semantic tasks in typologically diverse languages, including various non-Latin scripts. We find that PIXEL substantially outperforms BERT on syntactic and semantic processing tasks on scripts that are not found in the pretraining data, but PIXEL is slightly weaker than BERT when working with Latin scripts. Furthermore, we find that PIXEL is more robust than BERT to orthographic attacks and linguistic code-switching, further confirming the benefits of modelling language with pixels.

Representation learning often plays a critical role in avoiding the curse of dimensionality in reinforcement learning. A representative class of algorithms exploits spectral decomposition of the stochastic transition dynamics to construct representations that enjoy strong theoretical properties in idealized settings. However, current spectral methods suffer from limited applicability because they are constructed for state-only aggregation and are derived from a policy-dependent transition kernel, without considering the issue of exploration. To address these issues, we propose an alternative spectral method, Spectral Decomposition Representation (SPEDER), that extracts a state-action abstraction from the dynamics without inducing spurious dependence on the data collection policy, while also balancing the exploration-versus-exploitation trade-off during learning. A theoretical analysis establishes the sample efficiency of the proposed algorithm in both the online and offline settings. In addition, an experimental investigation demonstrates superior performance over current state-of-the-art algorithms across several RL benchmarks.

Disentangled learning representations have promising utility in many applications, but they currently suffer from serious reliability issues. We present Gaussian Channel Autoencoder (GCAE), a method which achieves reliable disentanglement via scalable non-parametric density estimation of the latent space. GCAE avoids the curse of dimensionality of density estimation by disentangling subsets of its latent space with the Dual Total Correlation (DTC) metric, thereby representing its high-dimensional latent joint distribution as a collection of many low-dimensional conditional distributions. In our experiments, GCAE achieves highly competitive and reliable disentanglement scores compared with state-of-the-art baselines.