ICLR 2023 Papers

A recourse action aims to explain a particular algorithmic decision by showing one specific way in which the instance could be modified to receive an alternate outcome. Existing recourse generation methods often assume that the machine learning model does not change over time. However, this assumption does not always hold in practice because of data distribution shifts, and in this case, the recourse action may become invalid. To redress this shortcoming, we propose the Distributionally Robust Recourse Action (DiRRAc) framework, which generates a recourse action that has high probability of being valid under a mixture of model shifts. We first formulate the robustified recourse setup as a min-max optimization problem, where the max problem is specified by Gelbrich distance over an ambiguity set around the distribution of model parameters. Then we suggest a projected gradient descent algorithm to find a robust recourse according to the min-max objective. We also show that our DiRRAc framework can be extended to hedge against the misspecification of the mixture weights. Numerical experiments with both synthetic and three real-world datasets demonstrate the benefits of our proposed framework over the state-of-the-art recourse methods, which generate robust recourses.

We propose Unified-IO, a model that performs a large variety of AI tasks spanning classical computer vision tasks, including pose estimation, object detection, depth estimation and image generation, vision-and-language tasks such as region captioning and referring expression, to natural language processing tasks such as question answering and paraphrasing. Developing a single unified model for such a large variety of tasks poses unique challenges due to the heterogeneous inputs and outputs pertaining to each task, including RGB images, per-pixel maps, binary masks, bounding boxes, and language. We achieve this unification by homogenizing every supported input and output into a sequence of discrete vocabulary tokens. This common representation across all tasks allows us to train a single transformer-based architecture, jointly on over 90 diverse datasets in the vision and language fields. Unified-IO is the first model capable of performing all 7 tasks on the GRIT benchmark and produces strong results across 16 diverse benchmarks like NYUv2-Depth, ImageNet, VQA2.0, OK-VQA, Swig, VizWizGround, BoolQ, and SciTail, with no task-specific fine-tuning. Code and pre-trained models will be made publicly available.

Semi-supervised learning is a popular machine learning paradigm that utilizes a large amount of unlabeled data as well as a small amount of labeled data to facilitate learning tasks. While semi-supervised learning has achieved great success in training neural networks, its theoretical understanding remains largely open. In this paper, we aim to theoretically understand a semi-supervised learning approach based on pre-training and linear probing. In particular, the semi-supervised learning approach we consider first trains a two-layer neural network based on the unlabeled data with the help of pseudo-labelers. Then it linearly probes the pre-trained network on a small amount of labeled data. We prove that, under a certain toy data generation model and two-layer convolutional neural network, the semisupervised learning approach can achieve nearly zero test loss, while a neural network directly trained by supervised learning on the same amount of labeled data can only achieve constant test loss. Through this case study, we demonstrate a separation between semi-supervised learning and supervised learning in terms of test loss provided the same amount of labeled data.

Graph Neural Networks (GNNs) have shown great promise in various graph learning tasks. However, the computational overheads of fitting GNNs to large-scale graphs grow rapidly, posing obstacles to GNNs from scaling up to real-world applications. To tackle this issue, Graph Lottery Ticket (GLT) hypothesis articulates that there always exists a sparse subnetwork/subgraph with admirable performance in GNNs with random initialization. Such a pair of core subgraph and sparse subnetwork (called graph lottery tickets) can be uncovered by iteratively applying a novel sparsification method. While GLT provides new insights for GNN compression, it requires a full pretraining process to obtain graph lottery tickets, which is not universal and friendly to real-world applications. Moreover, the graph sparsification in GLT utilizes sampling techniques, which may result in massive information loss and aggregation failure. In this paper, we explore the searching of graph lottery tickets from a complementary perspective -- transforming a random ticket into a graph lottery ticket, which allows us to more comprehensively explore the relationships between the original network/graph and their sparse counterpart. To achieve this, we propose regularization-based network pruning and hierarchical graph sparsification, leading to our Dual Graph Lottery Ticket (DGLT) framework for a joint sparsification of network and graph. Compared to GLT, our DGLT helps achieve a triple-win situation of graph lottery tickets with high sparsity, admirable performance, and good explainability. More importantly, we rigorously prove that our model can eliminate noise and maintain reliable information in substructures using the graph information bottleneck theory. Extensive experimental results on various graph-related tasks validate the effectiveness of our framework.

Recently, the Successor Features and Generalized Policy Improvement (SF&GPI) framework has been proposed as a method for learning, composing and transferring predictive knowledge and behavior. SF&GPI works by having an agent learn predictive representations (SFs) that can be combined for transfer to new tasks with GPI. However, to be effective this approach requires state features that are useful to predict, and these state-features are typically hand-designed. In this work, we present a novel neural network architecture, “Modular Successor Feature Approximators” (MSFA), where modules both discover what is useful to predict, and learn their own predictive representations. We show that MSFA is able to better generalize compared to baseline architectures for learning SFs and a modular network that discovers factored state representations.

This work studies an algorithm, which we call magnetic mirror descent, that is inspired by mirror descent and the non-Euclidean proximal gradient algorithm. Our contribution is demonstrating the virtues of magnetic mirror descent as both an equilibrium solver and as an approach to reinforcement learning in two-player zero-sum games. These virtues include: 1) Being the first quantal response equilibria solver to achieve linear convergence for extensive-form games with first order feedback; 2) Being the first standard reinforcement learning algorithm to achieve empirically competitive results with CFR in tabular settings; 3) Achieving favorable performance in 3x3 Dark Hex and Phantom Tic-Tac-Toe as a self-play deep reinforcement learning algorithm.

We introduce an efficient algorithmic framework for learning sparse group models formulated as the natural convex relaxation of a cardinality-constrained program with Boolean variables. We provide theoretical techniques to characterize the equivalent condition when the relaxation achieves the exact integral optimal solution, as well as a rounding algorithm to produce a feasible integral solution once the optimal relaxation solution is fractional. We demonstrate the power of our equivalent condition by applying it to two ensembles of random problem instances that are challenging and popularly used in literature and prove that our method achieves exactness with overwhelming probability and nearly optimal sample complexity. Empirically, we use synthetic datasets to demonstrate that our proposed method significantly outperforms the state-of-the-art group sparse learning models in terms of individual and group support recovery when the number of samples is small. Furthermore, we show the out-performance of our method in cancer drug response prediction.

Auditing the stability of a machine learning model to small changes in the training procedure is critical for engendering trust in practical applications. For example, a model should not be overly sensitive to removing a small fraction of its training data. However, algorithmically validating this property seems computationally challenging, even for the simplest of models: Ordinary Least Squares (OLS) linear regression. Concretely, recent work defines the stability of a regression as the minimum number of samples that need to be removed so that rerunning the analysis overturns the conclusion (Broderick et al., 2020), specifically meaning that the sign of a particular coefficient of the OLS regressor changes. But the only known approach for estimating this metric, besides the obvious exponential-time algorithm, is a greedy heuristic that may produce severe overestimates and therefore cannot certify stability. We show that stability can be efficiently certified in the low-dimensional regime: when the number of covariates is a constant but the number of samples is large, there are polynomial-time algorithms for estimating (a fractional version of) stability, with provable approximation guarantees. Applying our algorithms to the Boston Housing dataset, we exhibit regression analyses where our estimator outperforms the greedy heuristic, and can successfully certify stability even in the regime where a constant fraction of the samples are dropped.

We develop fast distribution-free conformal prediction algorithms for obtaining multivalid coverage on exchangeable data in the batch setting. Multivalid coverage guarantees are stronger than marginal coverage guarantees in two ways: (1) They hold even conditional on group membership---that is, the target coverage level $1-\alpha$ holds conditionally on membership in each of an arbitrary (potentially intersecting) group in a finite collection $\mathcal{G}$ of regions in the feature space. (2) They hold even conditional on the value of the threshold used to produce the prediction set on a given example. In fact multivalid coverage guarantees hold even when conditioning on group membership and threshold value simultaneously. We give two algorithms: both take as input an arbitrary non-conformity score and an arbitrary collection of possibly intersecting groups $\mathcal{G}$, and then can equip arbitrary black-box predictors with prediction sets. Our first algorithm is a direct extension of quantile regression, needs to solve only a single convex minimization problem, and produces an estimator which has group-conditional guarantees for each group in $\mathcal{G}$. Our second algorithm is iterative, and gives the full guarantees of multivalid conformal prediction: prediction sets that are valid conditionally both on group membership and non-conformity threshold. We evaluate the performance of both of our algorithms in an extensive set of experiments.

Graph contrastive learning (GCL), as an emerging self-supervised learning technique on graphs, aims to learn representations via instance discrimination. Its performance heavily relies on graph augmentation to reflect invariant patterns that are robust to small perturbations; yet it still remains unclear about what graph invariance GCL should capture. Recent studies mainly perform topology augmentations in a uniformly random manner in the spatial domain, ignoring its influence on the intrinsic structural properties embedded in the spectral domain. In this work, we aim to find a principled way for topology augmentations by exploring the invariance of graphs from the spectral perspective. We develop spectral augmentation which guides topology augmentations by maximizing the spectral change. Extensive experiments on both graph and node classification tasks demonstrate the effectiveness of our method in self-supervised representation learning. The proposed method also brings promising generalization capability in transfer learning, and is equipped with intriguing robustness property under adversarial attacks. Our study sheds light on a general principle for graph topology augmentation.

Language models show a surprising range of capabilities, but the source of their apparent competence is unclear. Do these networks just memorize a collection of surface statistics, or do they rely on internal representations of the process that generates the sequences they see? We investigate this question by applying a variant of the GPT model to the task of predicting legal moves in a simple board game, Othello. Although the network has no a priori knowledge of the game or its rules, we uncover evidence of an emergent nonlinear internal representation of the board state. Interventional experiments indicate this representation can be used to control the output of the network and create "latent saliency maps" that can help explain predictions in human terms.

Algorithmic reasoning requires capabilities which are most naturally understood through recurrent models of computation, like the Turing machine. However, Transformer models, while lacking recurrence, are able to perform such reasoning using far fewer layers than the number of reasoning steps. This raises the question: what solutions are these shallow and non-recurrent models finding? We investigate this question in the setting of learning automata, discrete dynamical systems naturally suited to recurrent modeling and expressing algorithmic tasks. Our theoretical results completely characterize shortcut solutions, whereby a shallow Transformer with only $o(T)$ layers can exactly replicate the computation of an automaton on an input sequence of length $T$. By representing automata using the algebraic structure of their underlying transformation semigroups, we obtain $O(\log T)$-depth simulators for all automata and $O(1)$-depth simulators for all automata whose associated groups are solvable. Empirically, we perform synthetic experiments by training Transformers to simulate a wide variety of automata, and show that shortcut solutions can be learned via standard training. We further investigate the brittleness of these solutions and propose potential mitigations.

Standard inference and training with transformer based architectures scale quadratically with input sequence length. This is prohibitively large for a variety of applications especially in web-page translation, query-answering etc. Consequently, several approaches have been developed recently to speedup attention computation by enforcing different attention structures such as sparsity, low-rank, approximating attention using kernels. In this work, we view attention computation as that of nearest neighbor retrieval, and use decision tree based hierarchical navigation to reduce the retrieval cost per query token from linear in sequence length to nearly logarithmic. Based on such hierarchical navigation, we design Treeformer which can use one of two efficient attention layers -- TF-Attention and TC-Attention. TF-Attention computes the attention in a fine-grained style, while TC-Attention is a coarse attention layer which also ensures that the gradients are "dense". To optimize such challenging discrete layers, we propose a two-level bootstrapped training method. Using extensive experiments on standard NLP benchmarks, especially for long-sequences, we demonstrate that our Treeformer architecture can be almost as accurate as baseline Transformer while using 30x lesser FLOPs in the attention layer. Compared to Linformer, the accuracy can be as much as 12% higher while using similar FLOPs in the attention layer.

Neural surface reconstruction aims to reconstruct accurate 3D surfaces based on multi-view images. Previous methods based on neural volume rendering mostly train a fully implicit model with MLPs, which typically require hours of training for a single scene. Recent efforts explore the explicit volumetric representation to accelerate the optimization via memorizing significant information with learnable voxel grids. However, existing voxel-based methods often struggle in reconstructing fine-grained geometry, even when combined with an SDF-based volume rendering scheme. We reveal that this is because 1) the voxel grids tend to break the color-geometry dependency that facilitates fine-geometry learning, and 2) the under-constrained voxel grids lack spatial coherence and are vulnerable to local minima. In this work, we present Voxurf, a voxel-based surface reconstruction approach that is both efficient and accurate. Voxurf addresses the aforementioned issues via several key designs, including 1) a two-stage training procedure that attains a coherent coarse shape and recovers fine details successively, 2) a dual color network that maintains color-geometry dependency, and 3) a hierarchical geometry feature to encourage information propagation across voxels. Extensive experiments show that Voxurf achieves high efficiency and high quality at the same time. On the DTU benchmark, Voxurf achieves higher reconstruction quality with a 20x training speedup compared to previous fully implicit methods. Our code is publicly available at https://github.com/wutong16/Voxurf/.

Training deep reinforcement learning (DRL) models usually requires high computation costs. Therefore, compressing DRL models possesses immense potential for training acceleration and model deployment. However, existing methods that generate small models mainly adopt the knowledge distillation-based approach by iteratively training a dense network. As a result, the training process still demands massive computing resources. Indeed, sparse training from scratch in DRL has not been well explored and is particularly challenging due to non-stationarity in bootstrap training. In this work, we propose a novel sparse DRL training framework, “the Rigged Reinforcement Learning Lottery” (RLx2), which builds upon gradient-based topology evolution and is capable of training a sparse DRL model based entirely on a sparse network. Specifically, RLx2 introduces a novel multi-step TD target mechanism with a dynamic-capacity replay buffer to achieve robust value learning and efficient topology exploration in sparse models. It also reaches state-of-the-art sparse training performance in several tasks, showing $7.5\times$-$20\times$ model compression with less than $3\%$ performance degradation and up to $20\times$ and $50\times$ FLOPs reduction for training and inference, respectively.

Mathematical reasoning, a core ability of human intelligence, presents unique challenges for machines in abstract thinking and logical reasoning. Recent large pre-trained language models such as GPT-3 have achieved remarkable progress on mathematical reasoning tasks written in text form, such as math word problems (MWP). However, it is unknown if the models can handle more complex problems that involve math reasoning over heterogeneous information, such as tabular data. To fill the gap, we present Tabular Math Word Problems (TabMWP), a new dataset containing 38,431 open-domain grade-level problems that require mathematical reasoning on both textual and tabular data. Each question in TabMWP is aligned with a tabular context, which is presented as an image, semi-structured text, and a structured table. There are two types of questions: free-text and multi-choice, and each problem is annotated with gold solutions to reveal the multi-step reasoning process. We evaluate different pre-trained models on TabMWP, including the GPT-3 model in a few-shot setting. As earlier studies suggest, since few-shot GPT-3 relies on the selection of in-context examples, its performance is unstable and can degrade to near chance. The unstable issue is more severe when handling complex problems like TabMWP. To mitigate this, we further propose a novel approach, PromptPG, which utilizes policy gradient to learn to select in-context examples from a small amount of training data and then constructs the corresponding prompt for the test example. Experimental results show that our method outperforms the best baseline by 5.31% on the accuracy metric and reduces the prediction variance significantly compared to random selection, which verifies its effectiveness in selecting in-context examples. The data and code are available at https://promptpg.github.io.

Future- or return-conditioned supervised learning is an emerging paradigm for offline reinforcement learning (RL), in which the future outcome (i.e., return) associated with a sequence of actions in an offline dataset is used as input to a policy trained to imitate those same actions. While return-conditioning is at the heart of popular algorithms such as decision transformer (DT), these methods tend to perform poorly in highly stochastic environments, where an occasional high return associated with a sequence of actions may be due more to the randomness of the environment than to the actions themselves. Such situations can lead to a learned policy that is inconsistent with its conditioning inputs; i.e., using the policy – while conditioned on a specific desired return – to act in the environment can lead to a distribution of real returns that is wildly different than desired. In this work, we propose the dichotomy of control (DoC), a future-conditioned supervised learning framework that separates mechanisms within a policy’s control (actions) from those outside of a policy’s control (environment stochasticity). We achieve this by conditioning the policy on a latent variable representation of the future and designing a mutual information constraint that removes any future information from the latent variable that is only due to randomness of the environment. Theoretically, we show that DoC yields policies that are consistent with their conditioning inputs, ensuring that conditioning a learned policy on a desired high-return future outcome will correctly induce high-return behavior. Empirically, we show that DoC is able to achieve significantly better performance than DT on environments with highly stochastic rewards (e.g., Bandit) and transitions (e.g., FrozenLake).

Deploying machine learning models on new tasks is a major challenge due to differences in distributions of the train (source) data and the new (target) data. However, the training data likely captures some of the properties of the new task. We consider the problem of reweighing the training samples to gain insights into the distribution of the target task. Specifically, we formulate a distribution shift model based on the exponential tilt assumption and learn train data importance weights minimizing the KL divergence between labeled train and unlabeled target datasets. The learned train data weights can then be used for downstream tasks such as target performance evaluation, fine-tuning, and model selection. We demonstrate the efficacy of our method on Waterbirds and Breeds benchmarks.

Knowledge distillation has been shown to be a powerful model compression approach to facilitate the deployment of pre-trained language models in practice. This paper focuses on task-agnostic distillation. It produces a compact pre-trained model that can be easily fine-tuned on various tasks with small computational costs and memory footprints. Despite the practical benefits, task-agnostic distillation is challenging. Since the teacher model has a significantly larger capacity and stronger representation power than the student model, it is very difficult for the student to produce predictions that match the teacher's over a massive amount of open-domain training data. Such a large prediction discrepancy often diminishes the benefits of knowledge distillation. To address this challenge, we propose Homotopic Distillation (HomoDistil), a novel task-agnostic distillation approach equipped with iterative pruning. Specifically, we initialize the student model from the teacher model, and iteratively prune the student's neurons until the target width is reached. Such an approach maintains a small discrepancy between the teacher's and student's predictions throughout the distillation process, which ensures the effectiveness of knowledge transfer. Extensive experiments demonstrate that HomoDistil achieves significant improvements on existing baselines. Our codes will be released.