ICML 2022 Papers

Federated learning faces huge challenges from model overfitting due to the lack of data and statistical diversity among clients. To address these challenges, this paper proposes a novel personalized federated learning method via Bayesian variational inference named pFedBayes. To alleviate the overfitting, weight uncertainty is introduced to neural networks for clients and the server. To achieve personalization, each client updates its local distribution parameters by balancing its construction error over private data and its KL divergence with global distribution from the server. Theoretical analysis gives an upper bound of averaged generalization error and illustrates that the convergence rate of the generalization error is minimax optimal up to a logarithmic factor. Experiments show that the proposed method outperforms other advanced personalized methods on personalized models, e.g., pFedBayes respectively outperforms other SOTA algorithms by 1.25%, 0.42% and 11.71% on MNIST, FMNIST and CIFAR-10 under non-i.i.d. limited data.

Federated learning allows clients to collaboratively learn statistical models while keeping their data local. Federated learning was originally used to train a unique global model to be served to all clients, but this approach might be sub-optimal when clients’ local data distributions are heterogeneous. In order to tackle this limitation, recent personalized federated learning methods train a separate model for each client while still leveraging the knowledge available at other clients. In this work, we exploit the ability of deep neural networks to extract high quality vectorial representations (embeddings) from non-tabular data, e.g., images and text, to propose a personalization mechanism based on local memorization. Personalization is obtained by interpolating a collectively trained global model with a local $k$-nearest neighbors (kNN) model based on the shared representation provided by the global model. We provide generalization bounds for the proposed approach in the case of binary classification, and we show on a suite of federated datasets that this approach achieves significantly higher accuracy and fairness than state-of-the-art methods.

Large-scale machine learning systems often involve data distributed across a collection of users. Federated learning algorithms leverage this structure by communicating model updates to a central server, rather than entire datasets. In this paper, we study stochastic optimization algorithms for a personalized federated learning setting involving local and global models subject to user-level (joint) differential privacy. While learning a private global model induces a cost of privacy, local learning is perfectly private. We provide generalization guarantees showing that coordinating local learning with private centralized learning yields a generically useful and improved tradeoff between accuracy and privacy. We illustrate our theoretical results with experiments on synthetic and real-world datasets.

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An ideal learned representation should display transferability and robustness. Supervised contrastive learning (SupCon) is a promising method for training accurate models, but produces representations that do not capture these properties due to class collapse—when all points in a class map to the same representation. Recent work suggests that "spreading out" these representations improves them, but the precise mechanism is poorly understood. We argue that creating spread alone is insufficient for better representations, since spread is invariant to permutations within classes. Instead, both the correct degree of spread and a mechanism for breaking this invariance are necessary. We first prove that adding a weighted class-conditional InfoNCE loss to SupCon controls the degree of spread. Next, we study three mechanisms to break permutation invariance: using a constrained encoder, adding a class-conditional autoencoder, and using data augmentation. We show that the latter two encourage clustering of latent subclasses under more realistic conditions than the former. Using these insights, we show that adding a properly-weighted class-conditional InfoNCE loss and a class-conditional autoencoder to SupCon achieves 11.1 points of lift on coarse-to-fine transfer across 5 standard datasets and 4.7 points on worst-group robustness on 3 datasets, setting state-of-the-art on CelebA by 11.5 points.

How to train deep neural networks (DNNs) to generalize well is a central concern in deep learning, especially for severely overparameterized networks nowadays. In this paper, we propose an effective method to improve the model generalization by additionally penalizing the gradient norm of loss function during optimization. We demonstrate that confining the gradient norm of loss function could help lead the optimizers towards finding flat minima. We leverage the first-order approximation to efficiently implement the corresponding gradient to fit well in the gradient descent framework. In our experiments, we confirm that when using our methods, generalization performance of various models could be improved on different datasets. Also, we show that the recent sharpness-aware minimization method (Foretet al., 2021) is a special, but not the best, case of our method, where the best case of our method could give new state-of-art performance on these tasks. Code is available at https://github.com/zhaoyang-0204/gnp.

Recent work has established a path-gradient estimator for simple variational Gaussian distributions and has argued that the path-gradient is particularly beneficial in the regime in which the variational distribution approaches the exact target distribution. In many applications, this regime can however not be reached by a simple Gaussian variational distribution. In this work, we overcome this crucial limitation by proposing a path-gradient estimator for the considerably more expressive variational family of continuous normalizing flows. We outline an efficient algorithm to calculate this estimator and establish its superior performance empirically.

Computational chemistry aims to autonomously design specific molecules with target functionality. Generative frameworks provide useful tools to learn continuous representations of molecules in a latent space. While modelers could optimize chemical properties, many generated molecules are not synthesizable. To design synthetically accessible molecules that preserve main structural motifs of target molecules, we propose a reaction-embedded and structure-conditioned variational autoencoder. As the latent space jointly encodes molecular structures and their reaction routes, our new sampling method that measures the path-informed structural similarity allows us to effectively generate structurally analogous synthesizable molecules. When targeting out-of-domain as well as in-domain seed structures, our model generates structurally and property-wisely similar molecules equipped with well-defined reaction paths. By focusing on the important region in chemical space, we also demonstrate that our model can design new molecules with even higher activity than the seed molecules.

Jet tagging is a critical yet challenging classification task in particle physics. While deep learning has transformed jet tagging and significantly improved performance, the lack of a large-scale public dataset impedes further enhancement. In this work, we present JetClass, a new comprehensive dataset for jet tagging. The JetClass dataset consists of 100 M jets, about two orders of magnitude larger than existing public datasets. A total of 10 types of jets are simulated, including several types unexplored for tagging so far. Based on the large dataset, we propose a new Transformer-based architecture for jet tagging, called Particle Transformer (ParT). By incorporating pairwise particle interactions in the attention mechanism, ParT achieves higher tagging performance than a plain Transformer and surpasses the previous state-of-the-art, ParticleNet, by a large margin. The pre-trained ParT models, once fine-tuned, also substantially enhance the performance on two widely adopted jet tagging benchmarks. The dataset, code and models are publicly available at https://github.com/jet-universe/particle_transformer.

Unsupervised domain adaptation is critical to many real-world applications where label information is unavailable in the target domain. In general, without further assumptions, the joint distribution of the features and the label is not identifiable in the target domain. To address this issue, we rely on a property of minimal changes of causal mechanisms across domains to minimize unnecessary influences of domain shift. To encode this property, we first formulate the data generating process using a latent variable model with two partitioned latent subspaces: invariant components whose distributions stay the same across domains, and sparse changing components that vary across domains. We further constrain the domain shift to have a restrictive influence on the changing components. Under mild conditions, we show that the latent variables are partially identifiable, from which it follows that the joint distribution of data and labels in the target domain is also identifiable. Given the theoretical insights, we propose a practical domain adaptation framework, called iMSDA. Extensive experimental results reveal that iMSDA outperforms state-of-the-art domain adaptation algorithms on benchmark datasets, demonstrating the effectiveness of our framework.

Existing out-of-distribution (OOD) detection methods are typically benchmarked on training sets with balanced class distributions. However, in real-world applications, it is common for the training sets to have long-tailed distributions. In this work, we first demonstrate that existing OOD detection methods commonly suffer from significant performance degradation when the training set is long-tail distributed. Through analysis, we posit that this is because the models struggle to distinguish the minority tail-class in-distribution samples, from the true OOD samples, making the tail classes more prone to be falsely detected as OOD. To solve this problem, we propose Partial and Asymmetric Supervised Contrastive Learning (PASCL), which explicitly encourages the model to distinguish between tail-class in-distribution samples and OOD samples. To further boost in-distribution classification accuracy, we propose Auxiliary Branch Finetuning, which uses two separate branches of BN and classification layers for anomaly detection and in-distribution classification, respectively. The intuition is that in-distribution and OOD anomaly data have different underlying distributions. Our method outperforms previous state-of-the-art method by $1.29%$, $1.45%$, $0.69%$ anomaly detection false positive rate (FPR) and $3.24%$, $4.06%$, $7.89%$ in-distribution classification accuracy on CIFAR10-LT, CIFAR100-LT, and ImageNet-LT, respectively. Code and pre-trained models are available at https://github.com/amazon-research/long-tailed-ood-detection.

To deal with ambiguities in partial label learning (PLL), state-of-the-art strategies implement disambiguations by identifying the ground-truth label directly from the candidate label set. However, these approaches usually take the label that incurs a minimal loss as the ground-truth label or use the weight to represent which label has a high likelihood to be the ground-truth label. Little work has been done to investigate from the perspective of how a candidate label changing a predictive model. In this paper, inspired by influence function, we develop a novel PLL framework called Partial Label Learning via Label Influence Function (PLL-IF). Moreover, we implement the framework with two specific representative models, an SVM model and a neural network model, which are called PLL-IF+SVM and PLL-IF+NN method respectively. Extensive experiments conducted on various datasets demonstrate the superiorities of the proposed methods in terms of prediction accuracy, which in turn validates the effectiveness of the proposed PLL-IF framework.

This paper investigates the problem of bounding counterfactual queries from an arbitrary collection of observational and experimental distributions and qualitative knowledge about the underlying data-generating model represented in the form of a causal diagram. We show that all counterfactual distributions in an arbitrary structural causal model (SCM) with discrete observed domains could be generated by a canonical family of SCMs with the same causal diagram where unobserved (exogenous) variables are also discrete, taking values in finite domains. Utilizing the canonical SCMs, we translate the problem of bounding counterfactuals into that of polynomial programming whose solution provides optimal bounds for the counterfactual query. Solving such polynomial programs is in general computationally expensive. We then develop effective Monte Carlo algorithms to approximate optimal bounds from a combination of observational and experimental data. Our algorithms are validated extensively on synthetic and real-world datasets.

Learning-augmented algorithms—in which, traditional algorithms are augmented with machine-learned predictions—have emerged as a framework to go beyond worst-case analysis. The overarching goal is to design algorithms that perform near-optimally when the predictions are accurate yet retain certain worst-case guarantees irrespective of the accuracy of the predictions. This framework has been successfully applied to online problems such as caching where the predictions can be used to alleviate uncertainties. In this paper we introduce and study the setting in which the learning-augmented algorithm can utilize the predictions parsimoniously. We consider the caching problem—which has been extensively studied in the learning-augmented setting—and show that one can achieve quantitatively similar results but only using a

Generating programs to describe visual observations has gained much research attention recently. However, most of the existing approaches are based on non-parametric primitive functions, making them unable to handle complex visual scenes involving many attributes and details. In this paper, we propose the concept of parametric visual program induction. Learning to generate parametric programs for visual scenes is challenging due to the huge number of function variants and the complex function correlations. To solve these challenges, we propose the method of function modularization, capable of dealing with numerous function variants and complex correlations. Specifically, we model each parametric function as a multi-head self-contained neural module to cover different function variants. Moreover, to eliminate the complex correlations between functions, we propose the hierarchical heterogeneous Monto-Carlo tree search (H2MCTS) algorithm which can provide high-quality uncorrelated supervision during training, and serve as an efficient searching technique during testing. We demonstrate the superiority of the proposed method on three visual program induction datasets involving parametric primitive functions. Experimental results show that our proposed model is able to significantly outperform the state-of-the-art baseline methods in terms of generating accurate programs.

The Pairwise Conditional Gradients (PCG) algorithm is a powerful extension of the Frank-Wolfe algorithm leading to particularly sparse solutions, which makes PCG very appealing for problems such as sparse signal recovery, sparse regression, and kernel herding. Unfortunately, PCG exhibits so-called swap steps that might not provide sufficient primal progress. The number of these bad steps is bounded by a function in the dimension and as such known guarantees do not generalize to the infinite-dimensional case, which would be needed for kernel herding. We propose a new variant of PCG, the so-called Blended Pairwise Conditional Gradients (BPCG). This new algorithm does not exhibit any swap steps, is very easy to implement, and does not require any internal gradient alignment procedures. The convergence rate of BPCG is basically that of PCG if no drop steps would occur and as such is no worse than PCG but improves and provides new rates in many cases. Moreover, we observe in the numerical experiments that BPCG’s solutions are much sparser than those of PCG. We apply BPCG to the kernel herding setting, where we derive nice quadrature rules and provide numerical results demonstrating the performance of our method.

Fine-tuning models on edge devices like mobile phones would enable privacy-preserving personalization over sensitive data. However, edge training has historically been limited to relatively small models with simple architectures because training is both memory and energy intensive. We present POET, an algorithm to enable training large neural networks on memory-scarce battery-operated edge devices. POET jointly optimizes the integrated search search spaces of rematerialization and paging, two algorithms to reduce the memory consumption of backpropagation. Given a memory budget and a run-time constraint, we formulate a mixed-integer linear program (MILP) for energy-optimal training. Our approach enables training significantly larger models on embedded devices while reducing energy consumption while not modifying mathematical correctness of backpropagation. We demonstrate that it is possible to fine-tune both ResNet-18 and BERT within the memory constraints of a Cortex-M class embedded device while outperforming current edge training methods in energy efficiency. POET is an open-source project available at https://github.com/ShishirPatil/poet

Out-of-distribution (OOD) detection is indispensable for machine learning models deployed in the open world. Recently, the use of an auxiliary outlier dataset during training (also known as outlier exposure) has shown promising performance. As the sample space for potential OOD data can be prohibitively large, sampling informative outliers is essential. In this work, we propose a novel posterior sampling based outlier mining framework, POEM, which facilitates efficient use of outlier data and promotes learning a compact decision boundary between ID and OOD data for improved detection. We show that POEM establishes state-of-the-art performance on common benchmarks. Compared to the current best method that uses a greedy sampling strategy, POEM improves the relative performance by 42.0% and 24.2% (FPR95) on CIFAR-10 and CIFAR-100, respectively. We further provide theoretical insights on the effectiveness of POEM for OOD detection.

Learning to collaborate is critical in Multi-Agent Reinforcement Learning (MARL). Previous works promote collaboration by maximizing the correlation of agents’ behaviors, which is typically characterized by Mutual Information (MI) in different forms. However, we reveal sub-optimal collaborative behaviors also emerge with strong correlations, and simply maximizing the MI can, surprisingly, hinder the learning towards better collaboration. To address this issue, we propose a novel MARL framework, called Progressive Mutual Information Collaboration (PMIC), for more effective MI-driven collaboration. PMIC uses a new collaboration criterion measured by the MI between global states and joint actions. Based on this criterion, the key idea of PMIC is maximizing the MI associated with superior collaborative behaviors and minimizing the MI associated with inferior ones. The two MI objectives play complementary roles by facilitating better collaborations while avoiding falling into sub-optimal ones. Experiments on a wide range of MARL benchmarks show the superior performance of PMIC compared with other algorithms.