Class distribution skews in imbalanced datasets may lead to models with prediction bias towards majority classes, making fair assessment of classifiers a challenging task. Metrics such as Balanced Accuracy are commonly used to evaluate a classifier's prediction performance under such scenarios. However, these metrics fall short when classes vary in importance. In this paper, we propose a simple and general-purpose evaluation framework for imbalanced data classification that is sensitive to arbitrary skews in class cardinalities and importances. Experiments with several state-of-the-art classifiers tested on real-world datasets from three different domains show the effectiveness of our framework - not only in evaluating and ranking classifiers, but also training them.
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Behemoth graphs are often fragmented and separately stored by multiple data owners as distributed subgraphs in many realistic applications. Without harming data privacy, it is natural to consider the subgraph federated learning (subgraph FL) scenario, where each local client holds a subgraph of the entire global graph, to obtain globally generalized graph mining models. To overcome the unique challenge of incomplete information propagation on local subgraphs due to missing cross-subgraph neighbors, previous works resort to the augmentation of local neighborhoods through the joint FL of missing neighbor generators and GNNs. Yet their technical designs have profound limitations regarding the utility, efficiency, and privacy goals of FL. In this work, we propose FedDEP to comprehensively tackle these challenges in subgraph FL. FedDEP consists of a series of novel technical designs: (1) Deep neighbor generation through leveraging the GNN embeddings of potential missing neighbors; (2) Efficient pseudo-FL for neighbor generation through embedding prototyping; and (3) Privacy protection through noise-less edge-local-differential-privacy. We analyze the correctness and efficiency of FedDEP, and provide theoretical guarantees on its privacy. Empirical results on four real-world datasets justify the clear benefits of proposed techniques.
We propose a novel set of Poisson Cluster Process (PCP) models to detect Ultra-Diffuse Galaxies (UDGs), a class of extremely faint, enigmatic galaxies of substantial interest in modern astrophysics. We model the unobserved UDG locations as parent points in a PCP, and infer their positions based on the observed spatial point patterns of their old star cluster systems. Many UDGs have somewhere from a few to hundreds of these old star clusters, which we treat as offspring points in our models. We also present a new framework to construct a marked PCP model using the marks of star clusters. The marked PCP model may enhance the detection of UDGs and offers broad applicability to problems in other disciplines. To assess the overall model performance, we design an innovative assessment tool for spatial prediction problems where only point-referenced ground truth is available, overcoming the limitation of standard ROC analyses where spatial Boolean reference maps are required. We construct a bespoke blocked Gibbs adaptive spatial birth-death-move MCMC algorithm to infer the locations of UDGs using real data from a \textit{Hubble Space Telescope} imaging survey. Based on our performance assessment tool, our novel models significantly outperform existing approaches using the Log-Gaussian Cox Process. We also obtained preliminary evidence that the marked PCP model improves UDG detection performance compared to the model without marks. Furthermore, we find evidence of a potential new ``dark galaxy'' that was not detected by previous methods.
Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow connections to multiple atoms through single bonds, solely using pair-wise distance to model molecule geometries is insufficient. Therefore, the first one involves proposing an effective neural network as the denoising kernel that is capable to capture complex multi-body interatomic relationships and learn high-quality features. Due to the discrete nature of graphs, mainstream diffusion-based methods for molecules heavily rely on predefined rules and generate edges in an indirect manner. The second challenge involves accommodating molecule generation to diffusion and accurately predicting the existence of bonds. In our research, we view the iterative way of updating molecule conformations in diffusion process is consistent with molecular dynamics and introduce a novel molecule generation method named Geometric-Facilitated Molecular Diffusion (GFMDiff). For the first challenge, we introduce a Dual-Track Transformer Network (DTN) to fully excevate global spatial relationships and learn high quality representations which contribute to accurate predictions of features and geometries. As for the second challenge, we design Geometric-Facilitated Loss (GFLoss) which intervenes the formation of bonds during the training period, instead of directly embedding edges into the latent space. Comprehensive experiments on current benchmarks demonstrate the superiority of GFMDiff.
Sparse Bayesian Learning (SBL) models are extensively used in signal processing and machine learning for promoting sparsity through hierarchical priors. The hyperparameters in SBL models are crucial for the model's performance, but they are often difficult to estimate due to the non-convexity and the high-dimensionality of the associated objective function. This paper presents a comprehensive framework for hyperparameter estimation in SBL models, encompassing well-known algorithms such as the expectation-maximization (EM), MacKay, and convex bounding (CB) algorithms. These algorithms are cohesively interpreted within an alternating minimization and linearization (AML) paradigm, distinguished by their unique linearized surrogate functions. Additionally, a novel algorithm within the AML framework is introduced, showing enhanced efficiency, especially under low signal noise ratios. This is further improved by a new alternating minimization and quadratic approximation (AMQ) paradigm, which includes a proximal regularization term. The paper substantiates these advancements with thorough convergence analysis and numerical experiments, demonstrating the algorithm's effectiveness in various noise conditions and signal-to-noise ratios.
Diffusion models have emerged as a prominent class of generative models, surpassing previous methods regarding sample quality and training stability. Recent works have shown the advantages of diffusion models in improving reinforcement learning (RL) solutions, including as trajectory planners, expressive policy classes, data synthesizers, etc. This survey aims to provide an overview of the advancements in this emerging field and hopes to inspire new avenues of research. First, we examine several challenges encountered by current RL algorithms. Then, we present a taxonomy of existing methods based on the roles played by diffusion models in RL and explore how the existing challenges are addressed. We further outline successful applications of diffusion models in various RL-related tasks while discussing the limitations of current approaches. Finally, we conclude the survey and offer insights into future research directions, focusing on enhancing model performance and applying diffusion models to broader tasks. We are actively maintaining a GitHub repository for papers and other related resources in applying diffusion models in RL: //github.com/apexrl/Diff4RLSurvey .
Diffusion models (DMs) have shown great potential for high-quality image synthesis. However, when it comes to producing images with complex scenes, how to properly describe both image global structures and object details remains a challenging task. In this paper, we present Frido, a Feature Pyramid Diffusion model performing a multi-scale coarse-to-fine denoising process for image synthesis. Our model decomposes an input image into scale-dependent vector quantized features, followed by a coarse-to-fine gating for producing image output. During the above multi-scale representation learning stage, additional input conditions like text, scene graph, or image layout can be further exploited. Thus, Frido can be also applied for conditional or cross-modality image synthesis. We conduct extensive experiments over various unconditioned and conditional image generation tasks, ranging from text-to-image synthesis, layout-to-image, scene-graph-to-image, to label-to-image. More specifically, we achieved state-of-the-art FID scores on five benchmarks, namely layout-to-image on COCO and OpenImages, scene-graph-to-image on COCO and Visual Genome, and label-to-image on COCO. Code is available at //github.com/davidhalladay/Frido.
With the rise of powerful pre-trained vision-language models like CLIP, it becomes essential to investigate ways to adapt these models to downstream datasets. A recently proposed method named Context Optimization (CoOp) introduces the concept of prompt learning -- a recent trend in NLP -- to the vision domain for adapting pre-trained vision-language models. Specifically, CoOp turns context words in a prompt into a set of learnable vectors and, with only a few labeled images for learning, can achieve huge improvements over intensively-tuned manual prompts. In our study we identify a critical problem of CoOp: the learned context is not generalizable to wider unseen classes within the same dataset, suggesting that CoOp overfits base classes observed during training. To address the problem, we propose Conditional Context Optimization (CoCoOp), which extends CoOp by further learning a lightweight neural network to generate for each image an input-conditional token (vector). Compared to CoOp's static prompts, our dynamic prompts adapt to each instance and are thus less sensitive to class shift. Extensive experiments show that CoCoOp generalizes much better than CoOp to unseen classes, even showing promising transferability beyond a single dataset; and yields stronger domain generalization performance as well. Code is available at //github.com/KaiyangZhou/CoOp.
Generative models are now capable of producing highly realistic images that look nearly indistinguishable from the data on which they are trained. This raises the question: if we have good enough generative models, do we still need datasets? We investigate this question in the setting of learning general-purpose visual representations from a black-box generative model rather than directly from data. Given an off-the-shelf image generator without any access to its training data, we train representations from the samples output by this generator. We compare several representation learning methods that can be applied to this setting, using the latent space of the generator to generate multiple "views" of the same semantic content. We show that for contrastive methods, this multiview data can naturally be used to identify positive pairs (nearby in latent space) and negative pairs (far apart in latent space). We find that the resulting representations rival those learned directly from real data, but that good performance requires care in the sampling strategy applied and the training method. Generative models can be viewed as a compressed and organized copy of a dataset, and we envision a future where more and more "model zoos" proliferate while datasets become increasingly unwieldy, missing, or private. This paper suggests several techniques for dealing with visual representation learning in such a future. Code is released on our project page: //ali-design.github.io/GenRep/
Learning with limited data is a key challenge for visual recognition. Few-shot learning methods address this challenge by learning an instance embedding function from seen classes and apply the function to instances from unseen classes with limited labels. This style of transfer learning is task-agnostic: the embedding function is not learned optimally discriminative with respect to the unseen classes, where discerning among them is the target task. In this paper, we propose a novel approach to adapt the embedding model to the target classification task, yielding embeddings that are task-specific and are discriminative. To this end, we employ a type of self-attention mechanism called Transformer to transform the embeddings from task-agnostic to task-specific by focusing on relating instances from the test instances to the training instances in both seen and unseen classes. Our approach also extends to both transductive and generalized few-shot classification, two important settings that have essential use cases. We verify the effectiveness of our model on two standard benchmark few-shot classification datasets --- MiniImageNet and CUB, where our approach demonstrates state-of-the-art empirical performance.
Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with billions of items and hundreds of millions of users remains a challenge. Here we describe a large-scale deep recommendation engine that we developed and deployed at Pinterest. We develop a data-efficient Graph Convolutional Network (GCN) algorithm PinSage, which combines efficient random walks and graph convolutions to generate embeddings of nodes (i.e., items) that incorporate both graph structure as well as node feature information. Compared to prior GCN approaches, we develop a novel method based on highly efficient random walks to structure the convolutions and design a novel training strategy that relies on harder-and-harder training examples to improve robustness and convergence of the model. We also develop an efficient MapReduce model inference algorithm to generate embeddings using a trained model. We deploy PinSage at Pinterest and train it on 7.5 billion examples on a graph with 3 billion nodes representing pins and boards, and 18 billion edges. According to offline metrics, user studies and A/B tests, PinSage generates higher-quality recommendations than comparable deep learning and graph-based alternatives. To our knowledge, this is the largest application of deep graph embeddings to date and paves the way for a new generation of web-scale recommender systems based on graph convolutional architectures.
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