Graphs can inherently model interconnected objects on the Web, thereby facilitating a series of Web applications, such as web analyzing and content recommendation. Recently, Graph Neural Networks (GNNs) have emerged as a mainstream technique for graph representation learning. However, their efficacy within an end-to-end supervised framework is significantly tied to the availabilityof task-specific labels. To mitigate labeling costs and enhance robustness in few-shot settings, pre-training on self-supervised tasks has emerged as a promising method, while prompting has been proposed to further narrow the objective gap between pretext and downstream tasks. Although there has been some initial exploration of prompt-based learning on graphs, they primarily leverage a single pretext task, resulting in a limited subset of general knowledge that could be learned from the pre-training data. Hence, in this paper, we propose MultiGPrompt, a novel multi-task pre-training and prompting framework to exploit multiple pretext tasks for more comprehensive pre-trained knowledge. First, in pre-training, we design a set of pretext tokens to synergize multiple pretext tasks. Second, we propose a dual-prompt mechanism consisting of composed and open prompts to leverage task-specific and global pre-training knowledge, to guide downstream tasks in few-shot settings. Finally, we conduct extensive experiments on six public datasets to evaluate and analyze MultiGPrompt.
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Self-supervised learning (SSL) has been incorporated into many state-of-the-art models in various domains, where SSL defines pretext tasks based on unlabeled datasets to learn contextualized and robust representations. Recently, SSL has been a new trend in exploring the representation learning capability in the realm of tabular data, which is more challenging due to not having explicit relations for learning descriptive representations. This survey aims to systematically review and summarize the recent progress and challenges of SSL for non-sequential tabular data (SSL4NS-TD). We first present a formal definition of NS-TD and clarify its correlation to related studies. Then, these approaches are categorized into three groups -- predictive learning, contrastive learning, and hybrid learning, with their motivations and strengths of representative methods within each direction. On top of this, application issues of SSL4NS-TD are presented, including automatic data engineering, cross-table transferability, and domain knowledge integration. In addition, we elaborate on existing benchmarks and datasets for NS-TD applications to discuss the performance of existing tabular models. Finally, we discuss the challenges of SSL4NS-TD and provide potential directions for future research. We expect our work to be useful in terms of encouraging more research on lowering the barrier to entry SSL for the tabular domain and improving the foundations for implicit tabular data.
Denoising diffusion probabilistic models (DDPMs) have recently taken the field of generative modeling by storm, pioneering new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided protein design. Along this latter line of research, methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a DDPM framework. However, such methods are unable to learn important geometric and physical properties of 3D molecules during molecular graph generation, as they adopt molecule-agnostic and non-geometric GNNs as their 3D graph denoising networks, which negatively impacts their ability to effectively scale to datasets of large 3D molecules. In this work, we address these gaps by introducing the Geometry-Complete Diffusion Model (GCDM) for 3D molecule generation, which outperforms existing 3D molecular diffusion models by significant margins across conditional and unconditional settings for the QM9 dataset as well as for the larger GEOM-Drugs dataset. Importantly, we demonstrate that the geometry-complete denoising process GCDM learns for 3D molecule generation allows the model to generate realistic and stable large molecules at the scale of GEOM-Drugs, whereas previous methods fail to do so with the features they learn. Additionally, we show that extensions of GCDM can not only effectively design 3D molecules for specific protein pockets but also that GCDM's geometric features can effectively be repurposed to directly optimize the geometry and chemical composition of existing 3D molecules for specific molecular properties, demonstrating new, real-world versatility of molecular diffusion models. Our source code and data are freely available at //github.com/BioinfoMachineLearning/Bio-Diffusion.
Federated Learning (FL) is a promising machine learning approach for Internet of Things (IoT), but it has to address network congestion problems when the population of IoT devices grows. Hierarchical FL (HFL) alleviates this issue by distributing model aggregation to multiple edge servers. Nevertheless, the challenge of communication overhead remains, especially in scenarios where all IoT devices simultaneously join the training process. For scalability, practical HFL schemes select a subset of IoT devices to participate in the training, hence the notion of device scheduling. In this setting, only selected IoT devices are scheduled to participate in the global training, with each of them being assigned to one edge server. Existing HFL assignment methods are primarily based on search mechanisms, which suffer from high latency in finding the optimal assignment. This paper proposes an improved K-Center algorithm for device scheduling and introduces a deep reinforcement learning-based approach for assigning IoT devices to edge servers. Experiments show that scheduling 50% of IoT devices is generally adequate for achieving convergence in HFL with much lower time delay and energy consumption. In cases where reduction in energy consumption (such as in Green AI) and reduction of messages (to avoid burst traffic) are key objectives, scheduling 30% IoT devices allows a substantial reduction in energy and messages with similar model accuracy.
Collaborative Filtering (CF) recommender models highly depend on user-item interactions to learn CF representations, thus falling short of recommending cold-start items. To address this issue, prior studies mainly introduce item features (e.g., thumbnails) for cold-start item recommendation. They learn a feature extractor on warm-start items to align feature representations with interactions, and then leverage the feature extractor to extract the feature representations of cold-start items for interaction prediction. Unfortunately, the features of cold-start items, especially the popular ones, tend to diverge from those of warm-start ones due to temporal feature shifts, preventing the feature extractor from accurately learning feature representations of cold-start items. To alleviate the impact of temporal feature shifts, we consider using Distributionally Robust Optimization (DRO) to enhance the generation ability of the feature extractor. Nonetheless, existing DRO methods face an inconsistency issue: the worse-case warm-start items emphasized during DRO training might not align well with the cold-start item distribution. To capture the temporal feature shifts and combat this inconsistency issue, we propose a novel temporal DRO with new optimization objectives, namely, 1) to integrate a worst-case factor to improve the worst-case performance, and 2) to devise a shifting factor to capture the shifting trend of item features and enhance the optimization of the potentially popular groups in cold-start items. Substantial experiments on three real-world datasets validate the superiority of our temporal DRO in enhancing the generalization ability of cold-start recommender models. The code is available at //github.com/Linxyhaha/TDRO/.
Semantic segmentation is a fundamental visual task that finds extensive deployment in applications with security-sensitive considerations. Nonetheless, recent work illustrates the adversarial vulnerability of semantic segmentation models to white-box attacks. However, its adversarial robustness against black-box attacks has not been fully explored. In this paper, we present the first exploration of black-box decision-based attacks on semantic segmentation. First, we analyze the challenges that semantic segmentation brings to decision-based attacks through the case study. Then, to address these challenges, we first propose a decision-based attack on semantic segmentation, called Discrete Linear Attack (DLA). Based on random search and proxy index, we utilize the discrete linear noises for perturbation exploration and calibration to achieve efficient attack efficiency. We conduct adversarial robustness evaluation on 5 models from Cityscapes and ADE20K under 8 attacks. DLA shows its formidable power on Cityscapes by dramatically reducing PSPNet's mIoU from an impressive 77.83% to a mere 2.14% with just 50 queries.
Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations. However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored. This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models. Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy. To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models. Our code is available at //github.com/jpmorganchase/l2l-generator-unlearning.
We propose a new multi-agent task grammar to encode collaborative tasks for a team of heterogeneous agents that can have overlapping capabilities. The grammar allows users to specify the relationship between agents and parts of the task without providing explicit assignments or constraints on the number of agents required. We develop a method to automatically find a team of agents and synthesize correct-by-construction control with synchronization policies to satisfy the task. We demonstrate the scalability of our approach through simulation and compare our method to existing task grammars that encode multi-agent tasks.
With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.
Most object recognition approaches predominantly focus on learning discriminative visual patterns while overlooking the holistic object structure. Though important, structure modeling usually requires significant manual annotations and therefore is labor-intensive. In this paper, we propose to "look into object" (explicitly yet intrinsically model the object structure) through incorporating self-supervisions into the traditional framework. We show the recognition backbone can be substantially enhanced for more robust representation learning, without any cost of extra annotation and inference speed. Specifically, we first propose an object-extent learning module for localizing the object according to the visual patterns shared among the instances in the same category. We then design a spatial context learning module for modeling the internal structures of the object, through predicting the relative positions within the extent. These two modules can be easily plugged into any backbone networks during training and detached at inference time. Extensive experiments show that our look-into-object approach (LIO) achieves large performance gain on a number of benchmarks, including generic object recognition (ImageNet) and fine-grained object recognition tasks (CUB, Cars, Aircraft). We also show that this learning paradigm is highly generalizable to other tasks such as object detection and segmentation (MS COCO). Project page: //github.com/JDAI-CV/LIO.
Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.
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