Out-of-Distribution (OOD) detection, i.e., identifying whether an input is sampled from a novel distribution other than the training distribution, is a critical task for safely deploying machine learning systems in the open world. Recently, post hoc detection utilizing pre-trained models has shown promising performance and can be scaled to large-scale problems. This advance raises a natural question: Can we leverage the diversity of multiple pre-trained models to improve the performance of post hoc detection methods? In this work, we propose a detection enhancement method by ensembling multiple detection decisions derived from a zoo of pre-trained models. Our approach uses the p-value instead of the commonly used hard threshold and leverages a fundamental framework of multiple hypothesis testing to control the true positive rate of In-Distribution (ID) data. We focus on the usage of model zoos and provide systematic empirical comparisons with current state-of-the-art methods on various OOD detection benchmarks. The proposed ensemble scheme shows consistent improvement compared to single-model detectors and significantly outperforms the current competitive methods. Our method substantially improves the relative performance by 65.40% and 26.96% on the CIFAR10 and ImageNet benchmarks.

A critical step in sharing semantic content online is to map the structural data source to a public domain ontology. This problem is denoted as the Relational-To-Ontology Mapping Problem (Rel2Onto). A huge effort and expertise are required for manually modeling the semantics of data. Therefore, an automatic approach for learning the semantics of a data source is desirable. Most of the existing work studies the semantic annotation of source attributes. However, although critical, the research for automatically inferring the relationships between attributes is very limited. In this paper, we propose a novel method for semantically annotating structured data sources using machine learning, graph matching and modified frequent subgraph mining to amend the candidate model. In our work, Knowledge graph is used as prior knowledge. Our evaluation shows that our approach outperforms two state-of-the-art solutions in tricky cases where only a few semantic models are known.

Deep convolutional neural networks (CNNs) have been widely used for medical image segmentation. In most studies, only the output layer is exploited to compute the final segmentation results and the hidden representations of the deep learned features have not been well understood. In this paper, we propose a prototype segmentation (ProtoSeg) method to compute a binary segmentation map based on deep features. We measure the segmentation abilities of the features by computing the Dice between the feature segmentation map and ground-truth, named as the segmentation ability score (SA score for short). The corresponding SA score can quantify the segmentation abilities of deep features in different layers and units to understand the deep neural networks for segmentation. In addition, our method can provide a mean SA score which can give a performance estimation of the output on the test images without ground-truth. Finally, we use the proposed ProtoSeg method to compute the segmentation map directly on input images to further understand the segmentation ability of each input image. Results are presented on segmenting tumors in brain MRI, lesions in skin images, COVID-related abnormality in CT images, prostate segmentation in abdominal MRI, and pancreatic mass segmentation in CT images. Our method can provide new insights for interpreting and explainable AI systems for medical image segmentation. Our code is available on: \url{https://github.com/shengfly/ProtoSeg}.

Large-scale diffusion models have achieved state-of-the-art results on text-to-image synthesis (T2I) tasks. Despite their ability to generate high-quality yet creative images, we observe that attribution-binding and compositional capabilities are still considered major challenging issues, especially when involving multiple objects. In this work, we improve the compositional skills of T2I models, specifically more accurate attribute binding and better image compositions. To do this, we incorporate linguistic structures with the diffusion guidance process based on the controllable properties of manipulating cross-attention layers in diffusion-based T2I models. We observe that keys and values in cross-attention layers have strong semantic meanings associated with object layouts and content. Therefore, we can better preserve the compositional semantics in the generated image by manipulating the cross-attention representations based on linguistic insights. Built upon Stable Diffusion, a SOTA T2I model, our structured cross-attention design is efficient that requires no additional training samples. We achieve better compositional skills in qualitative and quantitative results, leading to a 5-8% advantage in head-to-head user comparison studies. Lastly, we conduct an in-depth analysis to reveal potential causes of incorrect image compositions and justify the properties of cross-attention layers in the generation process.

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled molecules. Recent studies suggest that big GNN models pre-trained by self-supervised learning on unlabeled datasets enable better transfer performance in downstream molecular property prediction tasks. However, they often require large-scale datasets and considerable computational resources, which is time-consuming, computationally expensive, and environmentally unfriendly. To alleviate these limitations, we propose a novel pre-training model for molecular representation learning, Bi-branch Masked Graph Transformer Autoencoder (BatmanNet). BatmanNet features two tailored and complementary graph autoencoders to reconstruct the missing nodes and edges from a masked molecular graph. To our surprise, BatmanNet discovered that the highly masked proportion (60%) of the atoms and bonds achieved the best performance. We further propose an asymmetric graph-based encoder-decoder architecture for either nodes and edges, where a transformer-based encoder only takes the visible subset of nodes or edges, and a lightweight decoder reconstructs the original molecule from the latent representation and mask tokens. With this simple yet effective asymmetrical design, our BatmanNet can learn efficiently even from a much smaller-scale unlabeled molecular dataset to capture the underlying structural and semantic information, overcoming a major limitation of current deep neural networks for molecular representation learning. For instance, using only 250K unlabelled molecules as pre-training data, our BatmanNet with 2.575M parameters achieves a 0.5% improvement on the average AUC compared with the current state-of-the-art method with 100M parameters pre-trained on 11M molecules.

Image super-resolution is a common task on mobile and IoT devices, where one often needs to upscale and enhance low-resolution images and video frames. While numerous solutions have been proposed for this problem in the past, they are usually not compatible with low-power mobile NPUs having many computational and memory constraints. In this Mobile AI challenge, we address this problem and propose the participants to design an efficient quantized image super-resolution solution that can demonstrate a real-time performance on mobile NPUs. The participants were provided with the DIV2K dataset and trained INT8 models to do a high-quality 3X image upscaling. The runtime of all models was evaluated on the Synaptics VS680 Smart Home board with a dedicated edge NPU capable of accelerating quantized neural networks. All proposed solutions are fully compatible with the above NPU, demonstrating an up to 60 FPS rate when reconstructing Full HD resolution images. A detailed description of all models developed in the challenge is provided in this paper.

Video-and-language pre-training has shown promising results for learning generalizable representations. Most existing approaches usually model video and text in an implicit manner, without considering explicit structural representations of the multi-modal content. We denote such form of representations as structural knowledge, which express rich semantics of multiple granularities. There are related works that propose object-aware approaches to inject similar knowledge as inputs. However, the existing methods usually fail to effectively utilize such knowledge as regularizations to shape a superior cross-modal representation space. To this end, we propose a Cross-modaL knOwledge-enhanced Pre-training (CLOP) method with Knowledge Regularizations. There are two key designs of ours: 1) a simple yet effective Structural Knowledge Prediction (SKP) task to pull together the latent representations of similar videos; and 2) a novel Knowledge-guided sampling approach for Contrastive Learning (KCL) to push apart cross-modal hard negative samples. We evaluate our method on four text-video retrieval tasks and one multi-choice QA task. The experiments show clear improvements, outperforming prior works by a substantial margin. Besides, we provide ablations and insights of how our methods affect the latent representation space, demonstrating the value of incorporating knowledge regularizations into video-and-language pre-training.

Artificial Intelligence (AI) is having a tremendous impact across most areas of science. Applications of AI in healthcare have the potential to improve our ability to detect, diagnose, prognose, and intervene on human disease. For AI models to be used clinically, they need to be made safe, reproducible and robust, and the underlying software framework must be aware of the particularities (e.g. geometry, physiology, physics) of medical data being processed. This work introduces MONAI, a freely available, community-supported, and consortium-led PyTorch-based framework for deep learning in healthcare. MONAI extends PyTorch to support medical data, with a particular focus on imaging, and provide purpose-specific AI model architectures, transformations and utilities that streamline the development and deployment of medical AI models. MONAI follows best practices for software-development, providing an easy-to-use, robust, well-documented, and well-tested software framework. MONAI preserves the simple, additive, and compositional approach of its underlying PyTorch libraries. MONAI is being used by and receiving contributions from research, clinical and industrial teams from around the world, who are pursuing applications spanning nearly every aspect of healthcare.

Prompt tuning is a new few-shot transfer learning technique that only tunes the learnable prompt for pre-trained vision and language models such as CLIP. However, existing prompt tuning methods tend to learn spurious or entangled representations, which leads to poor generalization to unseen concepts. Towards non-spurious and efficient prompt learning from limited examples, this paper presents a novel \underline{\textbf{C}}ounterfactual \underline{\textbf{P}}rompt \underline{\textbf{L}}earning (CPL) method for vision and language models, which simultaneously employs counterfactual generation and contrastive learning in a joint optimization framework. Particularly, CPL constructs counterfactual by identifying minimal non-spurious feature change between semantically-similar positive and negative samples that causes concept change, and learns more generalizable prompt representation from both factual and counterfactual examples via contrastive learning. Extensive experiments demonstrate that CPL can obtain superior few-shot performance on different vision and language tasks than previous prompt tuning methods on CLIP. On image classification, we achieve 3.55\% average relative improvement on unseen classes across seven datasets; on image-text retrieval and visual question answering, we gain up to 4.09\% and 25.08\% relative improvements across three few-shot scenarios on unseen test sets respectively.

现有的基于视频的人重新识别（REID）的方法主要通过功能提取器和功能聚合器来了解给定行人的外观特征。但是，当不同的行人外观相似时，外观模型将失败。考虑到不同的行人具有不同的步行姿势和身体比例，我们建议学习视频检索的外观功能之外的歧视性姿势功能。具体而言，我们实现了一个两分支的体系结构，以单独学习外观功能和姿势功能，然后将它们串联在一起进行推理。为了学习姿势特征，我们首先通过现成的姿势检测器检测到每个框架中的行人姿势，并使用姿势序列构建时间图。然后，我们利用复发图卷积网络（RGCN）来学习时间姿势图的节点嵌入，该姿势图设计了一种全局信息传播机制，以同时实现框内节点的邻域聚集，并在框架间图之间传递消息。最后，我们提出了一种由节点注意和时间注意的双重意见方法，以从节点嵌入中获得时间图表示，其中采用自我注意机制来了解每个节点和每个帧的重要性。我们在三个基于视频的REID数据集（即火星，Dukemtmc和Ilids-Vid）上验证了所提出的方法，其实验结果表明，学习的姿势功能可以有效地改善现有外观模型的性能。