OpenRaiser/Intern-Atlas huggingface dataset:
Bisimulation Makes Analogies in Goal-Conditioned Reinforcement Learning
Venue: Conference ICML 2022
Year: 2022

Building generalizable goal-conditioned agents from rich observations is a key to reinforcement learning (RL) solving real world problems. Traditionally in goal-conditioned RL, an agent is provided with the exact goal they intend to reach. However, it is often not realistic to know the configuration of the goal before performing a task. A more scalable framework would allow us to provide the agent with an example of an analogous task, and have the agent then infer what the goal should be for its current state. We propose a new form of state abstraction called goal-conditioned bisimulation that captures functional equivariance, allowing for the reuse of skills to achieve new goals. We learn this representation using a metric form of this abstraction, and show its ability to generalize to new goals in simulation manipulation tasks. Further, we prove that this learned representation is sufficient not only for goal conditioned tasks, but is amenable to any downstream task described by a state-only reward function. Videos can be found at https://sites.google.com/view/gc-bisimulation.
Temporal Difference Learning for Model Predictive Control
Venue: Conference ICML 2022
Year: 2022

Data-driven model predictive control has two key advantages over model-free methods: a potential for improved sample efficiency through model learning, and better performance as computational budget for planning increases. However, it is both costly to plan over long horizons and challenging to obtain an accurate model of the environment. In this work, we combine the strengths of model-free and model-based methods. We use a learned task-oriented latent dynamics model for local trajectory optimization over a short horizon, and use a learned terminal value function to estimate long-term return, both of which are learned jointly by temporal difference learning. Our method, TD-MPC, achieves superior sample efficiency and asymptotic performance over prior work on both state and image-based continuous control tasks from DMControl and Meta-World. Code and video results are available at https://nicklashansen.github.io/td-mpc.
Contextual Information-Directed Sampling
Venue: Conference ICML 2022
Year: 2022

Information-directed sampling (IDS) has recently demonstrated its potential as a data-efficient reinforcement learning algorithm. However, it is still unclear what is the right form of information ratio to optimize when contextual information is available. We investigate the IDS design through two contextual bandit problems: contextual bandits with graph feedback and sparse linear contextual bandits. We provably demonstrate the advantage of contextual IDS over conditional IDS and emphasize the importance of considering the context distribution. The main message is that an intelligent agent should invest more on the actions that are beneficial for the future unseen contexts while the conditional IDS can be myopic. We further propose a computationally-efficient version of contextual IDS based on Actor-Critic and evaluate it empirically on a neural network contextual bandit.
GSmooth: Certified Robustness against Semantic Transformations via Generalized Randomized Smoothing
Venue: Conference ICML 2022
Year: 2022

Certified defenses such as randomized smoothing have shown promise towards building reliable machine learning systems against $\ell_p$-norm bounded attacks. However, existing methods are insufficient or unable to provably defend against semantic transformations, especially those without closed-form expressions (such as defocus blur and pixelate), which are more common in practice and often unrestricted. To fill up this gap, we propose generalized randomized smoothing (GSmooth), a unified theoretical framework for certifying robustness against general semantic transformations via a novel dimension augmentation strategy. Under the GSmooth framework, we present a scalable algorithm that uses a surrogate image-to-image network to approximate the complex transformation. The surrogate model provides a powerful tool for studying the properties of semantic transformations and certifying robustness. Experimental results on several datasets demonstrate the effectiveness of our approach for robustness certification against multiple kinds of semantic transformations and corruptions, which is not achievable by the alternative baselines.
Implicit Regularization with Polynomial Growth in Deep Tensor Factorization
Venue: Conference ICML 2022
Year: 2022

We study the implicit regularization effects of deep learning in tensor factorization. While implicit regularization in deep matrix and 'shallow' tensor factorization via linear and certain type of non-linear neural networks promotes low-rank solutions with at most quadratic growth, we show that its effect in deep tensor factorization grows polynomially with the depth of the network. This provides a remarkably faithful description of the observed experimental behaviour. Using numerical experiments, we demonstrate the benefits of this implicit regularization in yielding a more accurate estimation and better convergence properties.
Strategic Instrumental Variable Regression: Recovering Causal Relationships From Strategic Responses
Venue: Conference ICML 2022
Year: 2022

In settings where Machine Learning (ML) algorithms automate or inform consequential decisions about people, individual decision subjects are often incentivized to strategically modify their observable attributes to receive more favorable predictions. As a result, the distribution the assessment rule is trained on may differ from the one it operates on in deployment. While such distribution shifts, in general, can hinder accurate predictions, our work identifies a unique opportunity associated with shifts due to strategic responses: We show that we can use strategic responses effectively to recover causal relationships between the observable features and outcomes we wish to predict, even under the presence of unobserved confounding variables. Specifically, our work establishes a novel connection between strategic responses to ML models and instrumental variable (IV) regression by observing that the sequence of deployed models can be viewed as an instrument that affects agents' observable features but does not directly influence their outcomes. We show that our causal recovery method can be utilized to improve decision-making across several important criteria: individual fairness, agent outcomes, and predictive risk. In particular, we show that if decision subjects differ in their ability to modify non-causal attributes, any decision rule deviating from the causal coefficients can lead to (potentially unbounded) individual-level unfairness.
General-purpose, long-context autoregressive modeling with Perceiver AR
Venue: Conference ICML 2022
Year: 2022

Real-world data is high-dimensional: a book, image, or musical performance can easily contain hundreds of thousands of elements even after compression. However, the most commonly used autoregressive models, Transformers, are prohibitively expensive to scale to the number of inputs and layers needed to capture this long-range structure. We develop Perceiver AR, an autoregressive, modality-agnostic architecture which uses cross-attention to map long-range inputs to a small number of latents while also maintaining end-to-end causal masking. Perceiver AR can directly attend to over a hundred thousand tokens, enabling practical long-context density estimation without the need for hand-crafted sparsity patterns or memory mechanisms. When trained on images or music, Perceiver AR generates outputs with clear long-term coherence and structure. Our architecture also obtains state-of-the-art likelihood on long-sequence benchmarks, including 64 x 64 ImageNet images and PG-19 books.
On Distribution Shift in Learning-based Bug Detectors
Venue: Conference ICML 2022
Year: 2022

Deep learning has recently achieved initial success in program analysis tasks such as bug detection. Lacking real bugs, most existing works construct training and test data by injecting synthetic bugs into correct programs. Despite achieving high test accuracy (e.g., 90%), the resulting bug detectors are found to be surprisingly unusable in practice, i.e., <10% precision when used to scan real software repositories. In this work, we argue that this massive performance difference is caused by a distribution shift, i.e., a fundamental mismatch between the real bug distribution and the synthetic bug distribution used to train and evaluate the detectors. To address this key challenge, we propose to train a bug detector in two phases, first on a synthetic bug distribution to adapt the model to the bug detection domain, and then on a real bug distribution to drive the model towards the real distribution. During these two phases, we leverage a multi-task hierarchy, focal loss, and contrastive learning to further boost performance. We evaluate our approach extensively on three widely studied bug types, for which we construct new datasets carefully designed to capture the real bug distribution. The results demonstrate that our approach is practically effective and successfully mitigates the distribution shift: our learned detectors are highly performant on both our test set and the latest version of open source repositories. Our code, datasets, and models are publicly available at https://github.com/eth-sri/learning-real-bug-detector.
GNNRank: Learning Global Rankings from Pairwise Comparisons via Directed Graph Neural Networks
Venue: Conference ICML 2022
Year: 2022

Recovering global rankings from pairwise comparisons has wide applications from time synchronization to sports team ranking. Pairwise comparisons corresponding to matches in a competition can be construed as edges in a directed graph (digraph), whose nodes represent e.g. competitors with an unknown rank. In this paper, we introduce neural networks into the ranking recovery problem by proposing the so-called GNNRank, a trainable GNN-based framework with digraph embedding. Moreover, new objectives are devised to encode ranking upsets/violations. The framework involves a ranking score estimation approach, and adds an inductive bias by unfolding the Fiedler vector computation of the graph constructed from a learnable similarity matrix. Experimental results on extensive data sets show that our methods attain competitive and often superior performance against baselines, as well as showing promising transfer ability. Codes and preprocessed data are at: \url{https://github.com/SherylHYX/GNNRank}.
Sparse Double Descent: Where Network Pruning Aggravates Overfitting
Venue: Conference ICML 2022
Year: 2022

People usually believe that network pruning not only reduces the computational cost of deep networks, but also prevents overfitting by decreasing model capacity. However, our work surprisingly discovers that network pruning sometimes even aggravates overfitting. We report an unexpected sparse double descent phenomenon that, as we increase model sparsity via network pruning, test performance first gets worse (due to overfitting), then gets better (due to relieved overfitting), and gets worse at last (due to forgetting useful information). While recent studies focused on the deep double descent with respect to model overparameterization, they failed to recognize that sparsity may also cause double descent. In this paper, we have three main contributions. First, we report the novel sparse double descent phenomenon through extensive experiments. Second, for this phenomenon, we propose a novel learning distance interpretation that the curve of $\ell_{2}$ learning distance of sparse models (from initialized parameters to final parameters) may correlate with the sparse double descent curve well and reflect generalization better than minima flatness. Third, in the context of sparse double descent, a winning ticket in the lottery ticket hypothesis surprisingly may not always win.
HyperPrompt: Prompt-based Task-Conditioning of Transformers
Venue: Conference ICML 2022
Year: 2022

Prompt-Tuning is a new paradigm for finetuning pre-trained language models in a parameter-efficient way. Here, we explore the use of HyperNetworks to generate hyper-prompts: we propose HyperPrompt, a novel architecture for prompt-based task-conditioning of self-attention in Transformers. The hyper-prompts are end-to-end learnable via generation by a HyperNetwork. HyperPrompt allows the network to learn task-specific feature maps where the hyper-prompts serve as task global memories for the queries to attend to, at the same time enabling flexible information sharing among tasks. We show that HyperPrompt is competitive against strong multi-task learning baselines with as few as $0.14\%$ of additional task-conditioning parameters, achieving great parameter and computational efficiency. Through extensive empirical experiments, we demonstrate that HyperPrompt can achieve superior performances over strong T5 multi-task learning baselines and parameter-efficient adapter variants including Prompt-Tuning and HyperFormer++ on Natural Language Understanding benchmarks of GLUE and SuperGLUE across many model sizes.
Label-Descriptive Patterns and Their Application to Characterizing Classification Errors
Venue: Conference ICML 2022
Year: 2022

State-of-the-art deep learning methods achieve human-like performance on many tasks, but make errors nevertheless. Characterizing these errors in easily interpretable terms gives insight into whether a classifier is prone to making systematic errors, but also gives a way to act and improve the classifier. We propose to discover those feature-value combinations (i.e., patterns) that strongly correlate with correct resp. erroneous predictions to obtain a global and interpretable description for arbitrary classifiers. We show this is an instance of the more general label description problem, which we formulate in terms of the Minimum Description Length principle. To discover a good pattern set, we develop the efficient Premise algorithm. Through an extensive set of experiments we show it performs very well in practice on both synthetic and real-world data. Unlike existing solutions, it ably recovers ground truth patterns, even on highly imbalanced data over many features. Through two case studies on Visual Question Answering and Named Entity Recognition, we confirm that Premise gives clear and actionable insight into the systematic errors made by modern NLP classifiers.
Scaling Out-of-Distribution Detection for Real-World Settings
Venue: Conference ICML 2022
Year: 2022

Detecting out-of-distribution examples is important for safety-critical machine learning applications such as detecting novel biological phenomena and self-driving cars. However, existing research mainly focuses on simple small-scale settings. To set the stage for more realistic out-of-distribution detection, we depart from small-scale settings and explore large-scale multiclass and multi-label settings with high-resolution images and thousands of classes. To make future work in real-world settings possible, we create new benchmarks for three large-scale settings. To test ImageNet multiclass anomaly detectors, we introduce the Species dataset containing over 700,000 images and over a thousand anomalous species. We leverage ImageNet-21K to evaluate PASCAL VOC and COCO multilabel anomaly detectors. Third, we introduce a new benchmark for anomaly segmentation by introducing a segmentation benchmark with road anomalies. We conduct extensive experiments in these more realistic settings for out-of-distribution detection and find that a surprisingly simple detector based on the maximum logit outperforms prior methods in all the large-scale multi-class, multi-label, and segmentation tasks, establishing a simple new baseline for future work.
Unsupervised Detection of Contextualized Embedding Bias with Application to Ideology
Venue: Conference ICML 2022
Year: 2022

We propose a fully unsupervised method to detect bias in contextualized embeddings. The method leverages the assortative information latently encoded by social networks and combines orthogonality regularization, structured sparsity learning, and graph neural networks to find the embedding subspace capturing this information. As a concrete example, we focus on the phenomenon of ideological bias: we introduce the concept of an ideological subspace, show how it can be found by applying our method to online discussion forums, and present techniques to probe it. Our experiments suggest that the ideological subspace encodes abstract evaluative semantics and reflects changes in the political left-right spectrum during the presidency of Donald Trump.
Neural Laplace: Learning diverse classes of differential equations in the Laplace domain
Venue: Conference ICML 2022
Year: 2022

Neural Ordinary Differential Equations model dynamical systems with ODEs learned by neural networks. However, ODEs are fundamentally inadequate to model systems with long-range dependencies or discontinuities, which are common in engineering and biological systems. Broader classes of differential equations (DE) have been proposed as remedies, including delay differential equations and integro-differential equations. Furthermore, Neural ODE suffers from numerical instability when modelling stiff ODEs and ODEs with piecewise forcing functions. In this work, we propose Neural Laplace, a unified framework for learning diverse classes of DEs including all the aforementioned ones. Instead of modelling the dynamics in the time domain, we model it in the Laplace domain, where the history-dependencies and discontinuities in time can be represented as summations of complex exponentials. To make learning more efficient, we use the geometrical stereographic map of a Riemann sphere to induce more smoothness in the Laplace domain. In the experiments, Neural Laplace shows superior performance in modelling and extrapolating the trajectories of diverse classes of DEs, including the ones with complex history dependency and abrupt changes.
Deep Hierarchy in Bandits
Venue: Conference ICML 2022
Year: 2022

Mean rewards of actions are often correlated. The form of these correlations may be complex and unknown a priori, such as the preferences of a user for recommended products and their categories. To maximize statistical efficiency, it is important to leverage these correlations when learning. We formulate a bandit variant of this problem where the correlations of mean action rewards are represented by a hierarchical Bayesian model with latent variables. Since the hierarchy can have multiple layers, we call it deep. We propose a hierarchical Thompson sampling algorithm (HierTS) for this problem, and show how to implement it efficiently for Gaussian hierarchies. The efficient implementation is possible due to a novel exact hierarchical representation of the posterior, which itself is of independent interest. We use this exact posterior to analyze the Bayes regret of HierTS in Gaussian bandits. Our analysis reflects the structure of the problem, that the regret decreases with the prior width, and also shows that hierarchies reduce the regret by non-constant factors in the number of actions. We confirm these theoretical findings empirically, in both synthetic and real-world experiments.
Equivariant Diffusion for Molecule Generation in 3D
Venue: Conference ICML 2022
Year: 2022

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on both continuous (atom coordinates) and categorical features (atom types). In addition, we provide a probabilistic analysis which admits likelihood computation of molecules using our model. Experimentally, the proposed method significantly outperforms previous 3D molecular generative methods regarding the quality of generated samples and efficiency at training time.
Conditional GANs with Auxiliary Discriminative Classifier
Venue: Conference ICML 2022
Year: 2022

Conditional generative models aim to learn the underlying joint distribution of data and labels to achieve conditional data generation. Among them, the auxiliary classifier generative adversarial network (AC-GAN) has been widely used, but suffers from the problem of low intra-class diversity of the generated samples. The fundamental reason pointed out in this paper is that the classifier of AC-GAN is generator-agnostic, which therefore cannot provide informative guidance for the generator to approach the joint distribution, resulting in a minimization of the conditional entropy that decreases the intra-class diversity. Motivated by this understanding, we propose a novel conditional GAN with an auxiliary discriminative classifier (ADC-GAN) to resolve the above problem. Specifically, the proposed auxiliary discriminative classifier becomes generator-aware by recognizing the class-labels of the real data and the generated data discriminatively. Our theoretical analysis reveals that the generator can faithfully learn the joint distribution even without the original discriminator, making the proposed ADC-GAN robust to the value of the coefficient hyperparameter and the selection of the GAN loss, and stable during training. Extensive experimental results on synthetic and real-world datasets demonstrate the superiority of ADC-GAN in conditional generative modeling compared to state-of-the-art classifier-based and projection-based conditional GANs.
AdAUC: End-to-end Adversarial AUC Optimization Against Long-tail Problems
Venue: Conference ICML 2022
Year: 2022

It is well-known that deep learning models are vulnerable to adversarial examples. Existing studies of adversarial training have made great progress against this challenge. As a typical trait, they often assume that the class distribution is overall balanced. However, long-tail datasets are ubiquitous in a wide spectrum of applications, where the amount of head class instances is larger than the tail classes. Under such a scenario, AUC is a much more reasonable metric than accuracy since it is insensitive toward class distribution. Motivated by this, we present an early trial to explore adversarial training methods to optimize AUC. The main challenge lies in that the positive and negative examples are tightly coupled in the objective function. As a direct result, one cannot generate adversarial examples without a full scan of the dataset. To address this issue, based on a concavity regularization scheme, we reformulate the AUC optimization problem as a saddle point problem, where the objective becomes an instance-wise function. This leads to an end-to-end training protocol. Furthermore, we provide a convergence guarantee of the proposed algorithm. Our analysis differs from the existing studies since the algorithm is asked to generate adversarial examples by calculating the gradient of a min-max problem. Finally, the extensive experimental results show the performance and robustness of our algorithm in three long-tail datasets.