A fundamental challenge for machine learning models is generalizing to out-of-distribution (OOD) data, in part due to spurious correlations. To tackle this challenge, we first formalize the OOD generalization problem as constrained optimization, called Disentanglement-constrained Domain Generalization (DDG). We relax this non-trivial constrained optimization to a tractable form with finite-dimensional parameterization and empirical approximation. Then a theoretical analysis of the extent to which the above transformations deviates from the original problem is provided. Based on the transformation, we propose a primal-dual algorithm for joint representation disentanglement and domain generalization. In contrast to traditional approaches based on domain adversarial training and domain labels, DDG jointly learns semantic and variation encoders for disentanglement, enabling flexible manipulation and augmentation on training data. DDG aims to learn intrinsic representations of semantic concepts that are invariant to nuisance factors and generalizable across different domains. Comprehensive experiments on popular benchmarks show that DDG can achieve competitive OOD performance and uncover interpretable salient structures within data.
相關內容
Neural memory enables fast adaptation to new tasks with just a few training samples. Existing memory models store features only from the single last layer, which does not generalize well in presence of a domain shift between training and test distributions. Rather than relying on a flat memory, we propose a hierarchical alternative that stores features at different semantic levels. We introduce a hierarchical prototype model, where each level of the prototype fetches corresponding information from the hierarchical memory. The model is endowed with the ability to flexibly rely on features at different semantic levels if the domain shift circumstances so demand. We meta-learn the model by a newly derived hierarchical variational inference framework, where hierarchical memory and prototypes are jointly optimized. To explore and exploit the importance of different semantic levels, we further propose to learn the weights associated with the prototype at each level in a data-driven way, which enables the model to adaptively choose the most generalizable features. We conduct thorough ablation studies to demonstrate the effectiveness of each component in our model. The new state-of-the-art performance on cross-domain and competitive performance on traditional few-shot classification further substantiates the benefit of hierarchical variational memory.
Unsupervised domain adaptation approaches have recently succeeded in various medical image segmentation tasks. The reported works often tackle the domain shift problem by aligning the domain-invariant features and minimizing the domain-specific discrepancies. That strategy works well when the difference between a specific domain and between different domains is slight. However, the generalization ability of these models on diverse imaging modalities remains a significant challenge. This paper introduces UDA-VAE++, an unsupervised domain adaptation framework for cardiac segmentation with a compact loss function lower bound. To estimate this new lower bound, we develop a novel Structure Mutual Information Estimation (SMIE) block with a global estimator, a local estimator, and a prior information matching estimator to maximize the mutual information between the reconstruction and segmentation tasks. Specifically, we design a novel sequential reparameterization scheme that enables information flow and variance correction from the low-resolution latent space to the high-resolution latent space. Comprehensive experiments on benchmark cardiac segmentation datasets demonstrate that our model outperforms previous state-of-the-art qualitatively and quantitatively. The code is available at //github.com/LOUEY233/Toward-Mutual-Information}{//github.com/LOUEY233/Toward-Mutual-Information
The latest biological findings discover that the motionless 'lock-and-key' theory is no longer applicable and the flexibility of both the receptor and ligand plays a significant role in helping understand the principles of the binding affinity prediction. Based on this mechanism, molecular dynamics (MD) simulations have been invented as a useful tool to investigate the dynamical properties of this molecular system. However, the computational expenditure prohibits the growth of reported protein trajectories. To address this insufficiency, we present a novel spatial-temporal pre-training protocol, PretrainMD, to grant the protein encoder the capacity to capture the time-dependent geometric mobility along MD trajectories. Specifically, we introduce two sorts of self-supervised learning tasks: an atom-level denoising generative task and a protein-level snapshot ordering task. We validate the effectiveness of PretrainMD through the PDBbind dataset for both linear-probing and fine-tuning. Extensive experiments show that our PretrainMD exceeds most state-of-the-art methods and achieves comparable performance. More importantly, through visualization we discover that the learned representations by pre-training on MD trajectories without any label from the downstream task follow similar patterns of the magnitude of binding affinities. This strongly aligns with the fact that the motion of the interactions of protein and ligand maintains the key information of their binding. Our work provides a promising perspective of self-supervised pre-training for protein representations with very fine temporal resolutions and hopes to shed light on the further usage of MD simulations for the biomedical deep learning community.
Semantic segmentation models struggle to generalize in the presence of domain shift. In this paper, we introduce contrastive learning for feature alignment in cross-domain adaptation. We assemble both in-domain contrastive pairs and cross-domain contrastive pairs to learn discriminative features that align across domains. Based on the resulting well-aligned feature representations we introduce a label expansion approach that is able to discover samples from hard classes during the adaptation process to further boost performance. The proposed approach consistently outperforms state-of-the-art methods for domain adaptation. It achieves 60.2% mIoU on the Cityscapes dataset when training on the synthetic GTA5 dataset together with unlabeled Cityscapes images.
Contrastive learning has led to substantial improvements in the quality of learned embedding representations for tasks such as image classification. However, a key drawback of existing contrastive augmentation methods is that they may lead to the modification of the image content which can yield undesired alterations of its semantics. This can affect the performance of the model on downstream tasks. Hence, in this paper, we ask whether we can augment image data in contrastive learning such that the task-relevant semantic content of an image is preserved. For this purpose, we propose to leverage saliency-based explanation methods to create content-preserving masked augmentations for contrastive learning. Our novel explanation-driven supervised contrastive learning (ExCon) methodology critically serves the dual goals of encouraging nearby image embeddings to have similar content and explanation. To quantify the impact of ExCon, we conduct experiments on the CIFAR-100 and the Tiny ImageNet datasets. We demonstrate that ExCon outperforms vanilla supervised contrastive learning in terms of classification, explanation quality, adversarial robustness as well as probabilistic calibration in the context of distributional shift.
Invariant risk minimization (IRM) has recently emerged as a promising alternative for domain generalization. Nevertheless, the loss function is difficult to optimize for nonlinear classifiers and the original optimization objective could fail when pseudo-invariant features and geometric skews exist. Inspired by IRM, in this paper we propose a novel formulation for domain generalization, dubbed invariant information bottleneck (IIB). IIB aims at minimizing invariant risks for nonlinear classifiers and simultaneously mitigating the impact of pseudo-invariant features and geometric skews. Specifically, we first present a novel formulation for invariant causal prediction via mutual information. Then we adopt the variational formulation of the mutual information to develop a tractable loss function for nonlinear classifiers. To overcome the failure modes of IRM, we propose to minimize the mutual information between the inputs and the corresponding representations. IIB significantly outperforms IRM on synthetic datasets, where the pseudo-invariant features and geometric skews occur, showing the effectiveness of proposed formulation in overcoming failure modes of IRM. Furthermore, experiments on DomainBed show that IIB outperforms $13$ baselines by $0.9\%$ on average across $7$ real datasets.
Generalization to out-of-distribution (OOD) data is a capability natural to humans yet challenging for machines to reproduce. This is because most learning algorithms strongly rely on the i.i.d.~assumption on source/target data, which is often violated in practice due to domain shift. Domain generalization (DG) aims to achieve OOD generalization by using only source data for model learning. Since first introduced in 2011, research in DG has made great progresses. In particular, intensive research in this topic has led to a broad spectrum of methodologies, e.g., those based on domain alignment, meta-learning, data augmentation, or ensemble learning, just to name a few; and has covered various vision applications such as object recognition, segmentation, action recognition, and person re-identification. In this paper, for the first time a comprehensive literature review is provided to summarize the developments in DG for computer vision over the past decade. Specifically, we first cover the background by formally defining DG and relating it to other research fields like domain adaptation and transfer learning. Second, we conduct a thorough review into existing methods and present a categorization based on their methodologies and motivations. Finally, we conclude this survey with insights and discussions on future research directions.
In the domain generalization literature, a common objective is to learn representations independent of the domain after conditioning on the class label. We show that this objective is not sufficient: there exist counter-examples where a model fails to generalize to unseen domains even after satisfying class-conditional domain invariance. We formalize this observation through a structural causal model and show the importance of modeling within-class variations for generalization. Specifically, classes contain objects that characterize specific causal features, and domains can be interpreted as interventions on these objects that change non-causal features. We highlight an alternative condition: inputs across domains should have the same representation if they are derived from the same object. Based on this objective, we propose matching-based algorithms when base objects are observed (e.g., through data augmentation) and approximate the objective when objects are not observed (MatchDG). Our simple matching-based algorithms are competitive to prior work on out-of-domain accuracy for rotated MNIST, Fashion-MNIST, PACS, and Chest-Xray datasets. Our method MatchDG also recovers ground-truth object matches: on MNIST and Fashion-MNIST, top-10 matches from MatchDG have over 50% overlap with ground-truth matches.
Invariant approaches have been remarkably successful in tackling the problem of domain generalization, where the objective is to perform inference on data distributions different from those used in training. In our work, we investigate whether it is possible to leverage domain information from the unseen test samples themselves. We propose a domain-adaptive approach consisting of two steps: a) we first learn a discriminative domain embedding from unsupervised training examples, and b) use this domain embedding as supplementary information to build a domain-adaptive model, that takes both the input as well as its domain into account while making predictions. For unseen domains, our method simply uses few unlabelled test examples to construct the domain embedding. This enables adaptive classification on any unseen domain. Our approach achieves state-of-the-art performance on various domain generalization benchmarks. In addition, we introduce the first real-world, large-scale domain generalization benchmark, Geo-YFCC, containing 1.1M samples over 40 training, 7 validation, and 15 test domains, orders of magnitude larger than prior work. We show that the existing approaches either do not scale to this dataset or underperform compared to the simple baseline of training a model on the union of data from all training domains. In contrast, our approach achieves a significant improvement.
Image-to-image translation aims to learn the mapping between two visual domains. There are two main challenges for many applications: 1) the lack of aligned training pairs and 2) multiple possible outputs from a single input image. In this work, we present an approach based on disentangled representation for producing diverse outputs without paired training images. To achieve diversity, we propose to embed images onto two spaces: a domain-invariant content space capturing shared information across domains and a domain-specific attribute space. Our model takes the encoded content features extracted from a given input and the attribute vectors sampled from the attribute space to produce diverse outputs at test time. To handle unpaired training data, we introduce a novel cross-cycle consistency loss based on disentangled representations. Qualitative results show that our model can generate diverse and realistic images on a wide range of tasks without paired training data. For quantitative comparisons, we measure realism with user study and diversity with a perceptual distance metric. We apply the proposed model to domain adaptation and show competitive performance when compared to the state-of-the-art on the MNIST-M and the LineMod datasets.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191