Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Predicting interactions between proteins is one of the most important yet challenging problems in structural bioinformatics. Intrinsically, potential function sites in protein surfaces are determined by both geometric and chemical features. However, existing works only consider handcrafted or individually learned chemical features from the atom type and extract geometric features independently. Here, we identify two key properties of effective protein surface learning: 1) relationship among atoms: atoms are linked with each other by covalent bonds to form biomolecules instead of appearing alone, leading to the significance of modeling the relationship among atoms in chemical feature learning. 2) hierarchical feature interaction: the neighboring residue effect validates the significance of hierarchical feature interaction among atoms and between surface points and atoms (or residues). In this paper, we present a principled framework based on deep learning techniques, namely Hierarchical Chemical and Geometric Feature Interaction Network (HCGNet), for protein surface analysis by bridging chemical and geometric features with hierarchical interactions. Extensive experiments demonstrate that our method outperforms the prior state-of-the-art method by 2.3% in site prediction task and 3.2% in interaction matching task, respectively. Our code is available at https://github.com/xmed-lab/HCGNet.

Representational transfer from publicly available models is a promising technique for improving medical image classification, especially in long-tailed datasets with rare diseases. However, existing methods often overlook the frequency-dependent behavior of these models, thereby limiting their effectiveness in transferring representations and generalizations to rare diseases. In this paper, we propose FoPro-KD, a novel framework that leverages the power of frequency patterns learned from frozen pre-trained models to enhance their transferability and compression, presenting a few unique insights: 1) We demonstrate that leveraging representations from publicly available pre-trained models can substantially improve performance, specifically for rare classes, even when utilizing representations from a smaller pre-trained model. 2) We observe that pre-trained models exhibit frequency preferences, which we explore using our proposed Fourier Prompt Generator (FPG), allowing us to manipulate specific frequencies in the input image, enhancing the discriminative representational transfer. 3) By amplifying or diminishing these frequencies in the input image, we enable Effective Knowledge Distillation (EKD). EKD facilitates the transfer of knowledge from pre-trained models to smaller models. Through extensive experiments in long-tailed gastrointestinal image recognition and skin lesion classification, where rare diseases are prevalent, our FoPro-KD framework outperforms existing methods, enabling more accessible medical models for rare disease classification. Code is available at https://github.com/xmed-lab/FoPro-KD.

Cardiovascular disease (CVD) accounts for about half of non-communicable diseases. Vessel stenosis in the coronary artery is considered to be the major risk of CVD. Computed tomography angiography (CTA) is one of the widely used noninvasive imaging modalities in coronary artery diagnosis due to its superior image resolution. Clinically, segmentation of coronary arteries is essential for the diagnosis and quantification of coronary artery disease. Recently, a variety of works have been proposed to address this problem. However, on one hand, most works rely on in-house datasets, and only a few works published their datasets to the public which only contain tens of images. On the other hand, their source code have not been published, and most follow-up works have not made comparison with existing works, which makes it difficult to judge the effectiveness of the methods and hinders the further exploration of this challenging yet critical problem in the community. In this paper, we propose a large-scale dataset for coronary artery segmentation on CTA images. In addition, we have implemented a benchmark in which we have tried our best to implement several typical existing methods. Furthermore, we propose a strong baseline method which combines multi-scale patch fusion and two-stage processing to extract the details of vessels. Comprehensive experiments show that the proposed method achieves better performance than existing works on the proposed large-scale dataset. The benchmark and the dataset are published at https://github.com/XiaoweiXu/ImageCAS-A-Large-Scale-Dataset-and-Benchmark-for-Coronary-Artery-Segmentation-based-on-CT.

Medical image data are often limited due to the expensive acquisition and annotation process. Hence, training a deep-learning model with only raw data can easily lead to overfitting. One solution to this problem is to augment the raw data with various transformations, improving the model's ability to generalize to new data. However, manually configuring a generic augmentation combination and parameters for different datasets is non-trivial due to inconsistent acquisition approaches and data distributions. Therefore, automatic data augmentation is proposed to learn favorable augmentation strategies for different datasets while incurring large GPU overhead. To this end, we present a novel method, called Dynamic Data Augmentation (DDAug), which is efficient and has negligible computation cost. Our DDAug develops a hierarchical tree structure to represent various augmentations and utilizes an efficient Monte-Carlo tree searching algorithm to update, prune, and sample the tree. As a result, the augmentation pipeline can be optimized for each dataset automatically. Experiments on multiple Prostate MRI datasets show that our method outperforms the current state-of-the-art data augmentation strategies.

Out-of-distribution (OOD) detection refers to training the model on an in-distribution (ID) dataset to classify whether the input images come from unknown classes. Considerable effort has been invested in designing various OOD detection methods based on either convolutional neural networks or transformers. However, zero-shot OOD detection methods driven by CLIP, which only require class names for ID, have received less attention. This paper presents a novel method, namely CLIP saying no (CLIPN), which empowers the logic of saying no within CLIP. Our key motivation is to equip CLIP with the capability of distinguishing OOD and ID samples using positive-semantic prompts and negation-semantic prompts. Specifically, we design a novel learnable no prompt and a no text encoder to capture negation semantics within images. Subsequently, we introduce two loss functions: the image-text binary-opposite loss and the text semantic-opposite loss, which we use to teach CLIPN to associate images with no prompts, thereby enabling it to identify unknown samples. Furthermore, we propose two threshold-free inference algorithms to perform OOD detection by utilizing negation semantics from no prompts and the text encoder. Experimental results on 9 benchmark datasets (3 ID datasets and 6 OOD datasets) for the OOD detection task demonstrate that CLIPN, based on ViT-B-16, outperforms 7 well-used algorithms by at least 2.34% and 11.64% in terms of AUROC and FPR95 for zero-shot OOD detection on ImageNet-1K. Our CLIPN can serve as a solid foundation for effectively leveraging CLIP in downstream OOD tasks. The code is available on https://github.com/xmed-lab/CLIPN.

In the medical field, federated learning commonly deals with highly imbalanced datasets, including skin lesions and gastrointestinal images. Existing federated methods under highly imbalanced datasets primarily focus on optimizing a global model without incorporating the intra-class variations that can arise in medical imaging due to different populations, findings, and scanners. In this paper, we study the inter-client intra-class variations with publicly available self-supervised auxiliary networks. Specifically, we find that employing a shared auxiliary pre-trained model, like MoCo-V2, locally on every client yields consistent divergence measurements. Based on these findings, we derive a dynamic balanced model aggregation via self-supervised priors (MAS) to guide the global model optimization. Fed-MAS can be utilized with different local learning methods for effective model aggregation toward a highly robust and unbiased global model.

The volume-wise labeling of 3D medical images is expertise-demanded and time-consuming; hence semi-supervised learning (SSL) is highly desirable for training with limited labeled data. Imbalanced class distribution is a severe problem that bottlenecks the real-world application of these methods but was not addressed much. Aiming to solve this issue, we present a novel Dual-debiased Heterogeneous Co-training (DHC) framework for semi-supervised 3D medical image segmentation. Specifically, we propose two loss weighting strategies, namely Distribution-aware Debiased Weighting (DistDW) and Difficulty-aware Debiased Weighting (DiffDW), which leverage the pseudo labels dynamically to guide the model to solve data and learning biases. The framework improves significantly by co-training these two diverse and accurate sub-models. We also introduce more representative benchmarks for class-imbalanced semi-supervised medical image segmentation, which can fully demonstrate the efficacy of the class-imbalance designs. Experiments show that our proposed framework brings significant improvements by using pseudo labels for debiasing and alleviating the class imbalance problem. More importantly, our method outperforms the state-of-the-art SSL methods, demonstrating the potential of our framework for the more challenging SSL setting. Code and models are available at: https://github.com/xmed-lab/DHC.

Deep hashing has been extensively utilized in massive image retrieval because of its efficiency and effectiveness. However, deep hashing models are vulnerable to adversarial examples, making it essential to develop adversarial defense methods for image retrieval. Existing solutions achieved limited defense performance because of using weak adversarial samples for training and lacking discriminative optimization objectives to learn robust features. In this paper, we present a min-max based Center-guided Adversarial Training, namely CgAT, to improve the robustness of deep hashing networks through worst adversarial examples. Specifically, we first formulate the center code as a semantically-discriminative representative of the input image content, which preserves the semantic similarity with positive samples and dissimilarity with negative examples. We prove that a mathematical formula can calculate the center code immediately. After obtaining the center codes in each optimization iteration of the deep hashing network, they are adopted to guide the adversarial training process. On the one hand, CgAT generates the worst adversarial examples as augmented data by maximizing the Hamming distance between the hash codes of the adversarial examples and the center codes. On the other hand, CgAT learns to mitigate the effects of adversarial samples by minimizing the Hamming distance to the center codes. Extensive experiments on the benchmark datasets demonstrate the effectiveness of our adversarial training algorithm in defending against adversarial attacks for deep hashing-based retrieval. Compared with the current state-of-the-art defense method, we significantly improve the defense performance by an average of 18.61\%, 12.35\%, and 11.56\% on FLICKR-25K, NUS-WIDE, and MS-COCO, respectively. The code is available at https://github.com/xunguangwang/CgAT.

Deep hashing has been extensively applied to massive image retrieval due to its efficiency and effectiveness. Recently, several adversarial attacks have been presented to reveal the vulnerability of deep hashing models against adversarial examples. However, existing attack methods suffer from degraded performance or inefficiency because they underutilize the semantic relations between original samples or spend a lot of time learning these relations with a deep neural network. In this paper, we propose a novel Pharos-guided Attack, dubbed PgA, to evaluate the adversarial robustness of deep hashing networks reliably and efficiently. Specifically, we design pharos code to represent the semantics of the benign image, which preserves the similarity to semantically relevant samples and dissimilarity to irrelevant ones. It is proven that we can quickly calculate the pharos code via a simple math formula. Accordingly, PgA can directly conduct a reliable and efficient attack on deep hashing-based retrieval by maximizing the similarity between the hash code of the adversarial example and the pharos code. Extensive experiments on the benchmark datasets verify that the proposed algorithm outperforms the prior state-of-the-arts in both attack strength and speed.