Test-time Adaptation for Regression by Subspace Alignment

This paper investigates test-time adaptation (TTA) for regression, where a regression model pre-trained in a source domain is adapted to an unknown target distribution with unlabeled target data. Although regression is one of the fundamental tasks in machine learning, most of the existing TTA methods have classification-specific designs, which assume that models output class-categorical predictions, whereas regression models typically output only single scalar values. To enable TTA for regression, we adopt a feature alignment approach, which aligns the feature distributions between the source and target domains to mitigate the domain gap. However, we found that naive feature alignment employed in existing TTA methods for classification is ineffective or even worse for regression because the features are distributed in a small subspace and many of the raw feature dimensions have little significance to the output. For an effective feature alignment in TTA for regression, we propose Significant-subspace Alignment (SSA). SSA consists of two components: subspace detection and dimension weighting. Subspace detection finds the feature subspace that is representative and significant to the output. Then, the feature alignment is performed in the subspace during TTA. Meanwhile, dimension weighting raises the importance of the dimensions of the feature subspace that have greater significance to the output. We experimentally show that SSA outperforms various baselines on real-world datasets.

Meta-learning for Positive-unlabeled Classification

We propose a meta-learning method for positive and unlabeled (PU) classification, which improves the performance of binary classifiers obtained from only PU data in unseen target tasks. PU learning is an important problem since PU data naturally arise in real-world applications such as outlier detection and information retrieval. Existing PU learning methods require many PU data, but sufficient data are often unavailable in practice. The proposed method minimizes the test classification risk after the model is adapted to PU data by using related tasks that consist of positive, negative, and unlabeled data. We formulate the adaptation as an estimation problem of the Bayes optimal classifier, which is an optimal classifier to minimize the classification risk. The proposed method embeds each instance into a task-specific space using neural networks. With the embedded PU data, the Bayes optimal classifier is estimated through density-ratio estimation of PU densities, whose solution is obtained as a closed-form solution. The closed-form solution enables us to efficiently and effectively minimize the test classification risk. We empirically show that the proposed method outperforms existing methods with one synthetic and three real-world datasets.

Deep Positive-Unlabeled Anomaly Detection for Contaminated Unlabeled Data

Semi-supervised anomaly detection, which aims to improve the performance of the anomaly detector by using a small amount of anomaly data in addition to unlabeled data, has attracted attention. Existing semi-supervised approaches assume that unlabeled data are mostly normal. They train the anomaly detector to minimize the anomaly scores for the unlabeled data, and to maximize those for the anomaly data. However, in practice, the unlabeled data are often contaminated with anomalies. This weakens the effect of maximizing the anomaly scores for anomalies, and prevents us from improving the detection performance. To solve this problem, we propose the positive-unlabeled autoencoder, which is based on positive-unlabeled learning and the anomaly detector such as the autoencoder. With our approach, we can approximate the anomaly scores for normal data using the unlabeled and anomaly data. Therefore, without the labeled normal data, we can train the anomaly detector to minimize the anomaly scores for normal data, and to maximize those for the anomaly data. In addition, our approach is applicable to various anomaly detectors such as the DeepSVDD. Experiments on various datasets show that our approach achieves better detection performance than existing approaches.

Analysis of Linear Mode Connectivity via Permutation-Based Weight Matching

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the $L_2$ distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the $L_2$ distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

Meta-learning to Calibrate Gaussian Processes with Deep Kernels for Regression Uncertainty Estimation

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for improving regression uncertainty estimation performance with a limited number of training data. The proposed method meta-learns how to calibrate uncertainty using data from various tasks by minimizing the test expected calibration error, and uses the knowledge for unseen tasks. We design our model such that the adaptation and calibration for each task can be performed without iterative procedures, which enables effective meta-learning. In particular, a task-specific uncalibrated output distribution is modeled by a GP with a task-shared encoder network, and it is transformed to a calibrated one using a cumulative density function of a task-specific Gaussian mixture model (GMM). By integrating the GP and GMM into our neural network-based model, we can meta-learn model parameters in an end-to-end fashion. Our experiments demonstrate that the proposed method improves uncertainty estimation performance while keeping high regression performance compared with the existing methods using real-world datasets in few-shot settings.

Meta-learning of semi-supervised learning from tasks with heterogeneous attribute spaces

We propose a meta-learning method for semi-supervised learning that learns from multiple tasks with heterogeneous attribute spaces. The existing semi-supervised meta-learning methods assume that all tasks share the same attribute space, which prevents us from learning with a wide variety of tasks. With the proposed method, the expected test performance on tasks with a small amount of labeled data is improved with unlabeled data as well as data in various tasks, where the attribute spaces are different among tasks. The proposed method embeds labeled and unlabeled data simultaneously in a task-specific space using a neural network, and the unlabeled data's labels are estimated by adapting classification or regression models in the embedding space. For the neural network, we develop variable-feature self-attention layers, which enable us to find embeddings of data with different attribute spaces with a single neural network by considering interactions among examples, attributes, and labels. Our experiments on classification and regression datasets with heterogeneous attribute spaces demonstrate that our proposed method outperforms the existing meta-learning and semi-supervised learning methods.

Regularizing Neural Networks with Meta-Learning Generative Models

This paper investigates methods for improving generative data augmentation for deep learning. Generative data augmentation leverages the synthetic samples produced by generative models as an additional dataset for classification with small dataset settings. A key challenge of generative data augmentation is that the synthetic data contain uninformative samples that degrade accuracy. This is because the synthetic samples do not perfectly represent class categories in real data and uniform sampling does not necessarily provide useful samples for tasks. In this paper, we present a novel strategy for generative data augmentation called meta generative regularization (MGR). To avoid the degradation of generative data augmentation, MGR utilizes synthetic samples in the regularization term for feature extractors instead of in the loss function, e.g., cross-entropy. These synthetic samples are dynamically determined to minimize the validation losses through meta-learning. We observed that MGR can avoid the performance degradation of na\"ive generative data augmentation and boost the baselines. Experiments on six datasets showed that MGR is effective particularly when datasets are smaller and stably outperforms baselines.

Fast Regularized Discrete Optimal Transport with Group-Sparse Regularizers

Regularized discrete optimal transport (OT) is a powerful tool to measure the distance between two discrete distributions that have been constructed from data samples on two different domains. While it has a wide range of applications in machine learning, in some cases the sampled data from only one of the domains will have class labels such as unsupervised domain adaptation. In this kind of problem setting, a group-sparse regularizer is frequently leveraged as a regularization term to handle class labels. In particular, it can preserve the label structure on the data samples by corresponding the data samples with the same class label to one group-sparse regularization term. As a result, we can measure the distance while utilizing label information by solving the regularized optimization problem with gradient-based algorithms. However, the gradient computation is expensive when the number of classes or data samples is large because the number of regularization terms and their respective sizes also turn out to be large. This paper proposes fast discrete OT with group-sparse regularizers. Our method is based on two ideas. The first is to safely skip the computations of the gradients that must be zero. The second is to efficiently extract the gradients that are expected to be nonzero. Our method is guaranteed to return the same value of the objective function as that of the original method. Experiments show that our method is up to 8.6 times faster than the original method without degrading accuracy.

Meta-learning for Out-of-Distribution Detection via Density Estimation in Latent Space

Many neural network-based out-of-distribution (OoD) detection methods have been proposed. However, they require many training data for each target task. We propose a simple yet effective meta-learning method to detect OoD with small in-distribution data in a target task. With the proposed method, the OoD detection is performed by density estimation in a latent space. A neural network shared among all tasks is used to flexibly map instances in the original space to the latent space. The neural network is meta-learned such that the expected OoD detection performance is improved by using various tasks that are different from the target tasks. This meta-learning procedure enables us to obtain appropriate representations in the latent space for OoD detection. For density estimation, we use a Gaussian mixture model (GMM) with full covariance for each class. We can adapt the GMM parameters to in-distribution data in each task in a closed form by maximizing the likelihood. Since the closed form solution is differentiable, we can meta-learn the neural network efficiently with a stochastic gradient descent method by incorporating the solution into the meta-learning objective function. In experiments using six datasets, we demonstrate that the proposed method achieves better performance than existing meta-learning and OoD detection methods.

Meta-ticket: Finding optimal subnetworks for few-shot learning within randomly initialized neural networks

Few-shot learning for neural networks (NNs) is an important problem that aims to train NNs with a few data. The main challenge is how to avoid overfitting since over-parameterized NNs can easily overfit to such small dataset. Previous work (e.g. MAML by Finn et al. 2017) tackles this challenge by meta-learning, which learns how to learn from a few data by using various tasks. On the other hand, one conventional approach to avoid overfitting is restricting hypothesis spaces by endowing sparse NN structures like convolution layers in computer vision. However, although such manually-designed sparse structures are sample-efficient for sufficiently large datasets, they are still insufficient for few-shot learning. Then the following questions naturally arise: (1) Can we find sparse structures effective for few-shot learning by meta-learning? (2) What benefits will it bring in terms of meta-generalization? In this work, we propose a novel meta-learning approach, called Meta-ticket, to find optimal sparse subnetworks for few-shot learning within randomly initialized NNs. We empirically validated that Meta-ticket successfully discover sparse subnetworks that can learn specialized features for each given task. Due to this task-wise adaptation ability, Meta-ticket achieves superior meta-generalization compared to MAML-based methods especially with large NNs.