Standard modern machine-learning-based imaging methods have faced challenges in medical applications due to the high cost of dataset construction and, thereby, the limited labeled training data available. Additionally, upon deployment, these methods are usually used to process a large volume of data on a daily basis, imposing a high maintenance cost on medical facilities. In this paper, we introduce a new neural network architecture, termed LoGoNet, with a tailored self-supervised learning (SSL) method to mitigate such challenges. LoGoNet integrates a novel feature extractor within a U-shaped architecture, leveraging Large Kernel Attention (LKA) and a dual encoding strategy to capture both long-range and short-range feature dependencies adeptly. This is in contrast to existing methods that rely on increasing network capacity to enhance feature extraction. This combination of novel techniques in our model is especially beneficial in medical image segmentation, given the difficulty of learning intricate and often irregular body organ shapes, such as the spleen. Complementary, we propose a novel SSL method tailored for 3D images to compensate for the lack of large labeled datasets. The method combines masking and contrastive learning techniques within a multi-task learning framework and is compatible with both Vision Transformer (ViT) and CNN-based models. We demonstrate the efficacy of our methods in numerous tasks across two standard datasets (i.e., BTCV and MSD). Benchmark comparisons with eight state-of-the-art models highlight LoGoNet's superior performance in both inference time and accuracy.
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A critical bottleneck limiting imitation learning in robotics is the lack of data. This problem is more severe in mobile manipulation, where collecting demonstrations is harder than in stationary manipulation due to the lack of available and easy-to-use teleoperation interfaces. In this work, we demonstrate TeleMoMa, a general and modular interface for whole-body teleoperation of mobile manipulators. TeleMoMa unifies multiple human interfaces including RGB and depth cameras, virtual reality controllers, keyboard, joysticks, etc., and any combination thereof. In its more accessible version, TeleMoMa works using simply vision (e.g., an RGB-D camera), lowering the entry bar for humans to provide mobile manipulation demonstrations. We demonstrate the versatility of TeleMoMa by teleoperating several existing mobile manipulators - PAL Tiago++, Toyota HSR, and Fetch - in simulation and the real world. We demonstrate the quality of the demonstrations collected with TeleMoMa by training imitation learning policies for mobile manipulation tasks involving synchronized whole-body motion. Finally, we also show that TeleMoMa's teleoperation channel enables teleoperation on site, looking at the robot, or remote, sending commands and observations through a computer network, and perform user studies to evaluate how easy it is for novice users to learn to collect demonstrations with different combinations of human interfaces enabled by our system. We hope TeleMoMa becomes a helpful tool for the community enabling researchers to collect whole-body mobile manipulation demonstrations. For more information and video results, //robin-lab.cs.utexas.edu/telemoma-web.
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at //github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.
Vision-based deep learning perception fulfills a paramount role in robotics, facilitating solutions to many challenging scenarios, such as acrobatic maneuvers of autonomous unmanned aerial vehicles (UAVs) and robot-assisted high-precision surgery. Control-oriented end-to-end perception approaches, which directly output control variables for the robot, commonly take advantage of the robot's state estimation as an auxiliary input. When intermediate outputs are estimated and fed to a lower-level controller, i.e. mediated approaches, the robot's state is commonly used as an input only for egocentric tasks, which estimate physical properties of the robot itself. In this work, we propose to apply a similar approach for the first time -- to the best of our knowledge -- to non-egocentric mediated tasks, where the estimated outputs refer to an external subject. We prove how our general methodology improves the regression performance of deep convolutional neural networks (CNNs) on a broad class of non-egocentric 3D pose estimation problems, with minimal computational cost. By analyzing three highly-different use cases, spanning from grasping with a robotic arm to following a human subject with a pocket-sized UAV, our results consistently improve the R\textsuperscript{2} regression metric, up to +0.51, compared to their stateless baselines. Finally, we validate the in-field performance of a closed-loop autonomous cm-scale UAV on the human pose estimation task. Our results show a significant reduction, i.e., 24\% on average, on the mean absolute error of our stateful CNN, compared to a State-of-the-Art stateless counterpart.
The scarcity of well-annotated medical datasets requires leveraging transfer learning from broader datasets like ImageNet or pre-trained models like CLIP. Model soups averages multiple fine-tuned models aiming to improve performance on In-Domain (ID) tasks and enhance robustness against Out-of-Distribution (OOD) datasets. However, applying these methods to the medical imaging domain faces challenges and results in suboptimal performance. This is primarily due to differences in error surface characteristics that stem from data complexities such as heterogeneity, domain shift, class imbalance, and distributional shifts between training and testing phases. To address this issue, we propose a hierarchical merging approach that involves local and global aggregation of models at various levels based on models' hyperparameter configurations. Furthermore, to alleviate the need for training a large number of models in the hyperparameter search, we introduce a computationally efficient method using a cyclical learning rate scheduler to produce multiple models for aggregation in the weight space. Our method demonstrates significant improvements over the model souping approach across multiple datasets (around 6% gain in HAM10000 and CheXpert datasets) while maintaining low computational costs for model generation and selection. Moreover, we achieve better results on OOD datasets than model soups. The code is available at //github.com/BioMedIA-MBZUAI/FissionFusion.
With the breakthrough of AlphaGo, deep reinforcement learning becomes a recognized technique for solving sequential decision-making problems. Despite its reputation, data inefficiency caused by its trial and error learning mechanism makes deep reinforcement learning hard to be practical in a wide range of areas. Plenty of methods have been developed for sample efficient deep reinforcement learning, such as environment modeling, experience transfer, and distributed modifications, amongst which, distributed deep reinforcement learning has shown its potential in various applications, such as human-computer gaming, and intelligent transportation. In this paper, we conclude the state of this exciting field, by comparing the classical distributed deep reinforcement learning methods, and studying important components to achieve efficient distributed learning, covering single player single agent distributed deep reinforcement learning to the most complex multiple players multiple agents distributed deep reinforcement learning. Furthermore, we review recently released toolboxes that help to realize distributed deep reinforcement learning without many modifications of their non-distributed versions. By analyzing their strengths and weaknesses, a multi-player multi-agent distributed deep reinforcement learning toolbox is developed and released, which is further validated on Wargame, a complex environment, showing usability of the proposed toolbox for multiple players and multiple agents distributed deep reinforcement learning under complex games. Finally, we try to point out challenges and future trends, hoping this brief review can provide a guide or a spark for researchers who are interested in distributed deep reinforcement learning.
The incredible development of federated learning (FL) has benefited various tasks in the domains of computer vision and natural language processing, and the existing frameworks such as TFF and FATE has made the deployment easy in real-world applications. However, federated graph learning (FGL), even though graph data are prevalent, has not been well supported due to its unique characteristics and requirements. The lack of FGL-related framework increases the efforts for accomplishing reproducible research and deploying in real-world applications. Motivated by such strong demand, in this paper, we first discuss the challenges in creating an easy-to-use FGL package and accordingly present our implemented package FederatedScope-GNN (FS-G), which provides (1) a unified view for modularizing and expressing FGL algorithms; (2) comprehensive DataZoo and ModelZoo for out-of-the-box FGL capability; (3) an efficient model auto-tuning component; and (4) off-the-shelf privacy attack and defense abilities. We validate the effectiveness of FS-G by conducting extensive experiments, which simultaneously gains many valuable insights about FGL for the community. Moreover, we employ FS-G to serve the FGL application in real-world E-commerce scenarios, where the attained improvements indicate great potential business benefits. We publicly release FS-G, as submodules of FederatedScope, at //github.com/alibaba/FederatedScope to promote FGL's research and enable broad applications that would otherwise be infeasible due to the lack of a dedicated package.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{//github.com/IBM/EvolveGCN}.
This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.
We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.
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