Positive-Unlabeled (PU) learning aims to achieve high-accuracy binary classification with limited labeled positive examples and numerous unlabeled ones. Existing cost-sensitive-based methods often rely on strong assumptions that examples with an observed positive label were selected entirely at random. In fact, the uneven distribution of labels is prevalent in real-world PU problems, indicating that most actual positive and unlabeled data are subject to selection bias. In this paper, we propose a PU learning enhancement (PUe) algorithm based on causal inference theory, which employs normalized propensity scores and normalized inverse probability weighting (NIPW) techniques to reconstruct the loss function, thus obtaining a consistent, unbiased estimate of the classifier and enhancing the model's performance. Moreover, we investigate and propose a method for estimating propensity scores in deep learning using regularization techniques when the labeling mechanism is unknown. Our experiments on three benchmark datasets demonstrate the proposed PUe algorithm significantly improves the accuracy of classifiers on non-uniform label distribution datasets compared to advanced cost-sensitive PU methods. Codes are available at https://github.com/huawei-noah/Noah-research/tree/master/PUe and https://gitee.com/mindspore/models/tree/master/research/cv/PUe.
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Applications/Computer Vision
Cross-modal Retrieval methods build similarity relations between vision and language modalities by jointly learning a common representation space. However, the predictions are often unreliable due to the Aleatoric uncertainty, which is induced by low-quality data, e.g., corrupt images, fast-paced videos, and non-detailed texts. In this paper, we propose a novel Prototype-based Aleatoric Uncertainty Quantification (PAU) framework to provide trustworthy predictions by quantifying the uncertainty arisen from the inherent data ambiguity. Concretely, we first construct a set of various learnable prototypes for each modality to represent the entire semantics subspace. Then Dempster-Shafer Theory and Subjective Logic Theory are utilized to build an evidential theoretical framework by associating evidence with Dirichlet Distribution parameters. The PAU model induces accurate uncertainty and reliable predictions for cross-modal retrieval. Extensive experiments are performed on four major benchmark datasets of MSR-VTT, MSVD, DiDeMo, and MS-COCO, demonstrating the effectiveness of our method. The code is accessible at https://github.com/leolee99/PAU.
Theory/Online Learning and Bandits
Contextual batched bandit (CBB) is a setting where a batch of rewards is observed from the environment at the end of each episode, but the rewards of the non-executed actions are unobserved, resulting in partial-information feedback. Existing approaches for CBB often ignore the rewards of the non-executed actions, leading to underutilization of feedback information. In this paper, we propose an efficient approach called Sketched Policy Updating with Imputed Rewards (SPUIR) that completes the unobserved rewards using sketching, which approximates the full-information feedbacks. We formulate reward imputation as an imputation regularized ridge regression problem that captures the feedback mechanisms of both executed and non-executed actions. To reduce time complexity, we solve the regression problem using randomized sketching. We prove that our approach achieves an instantaneous regret with controllable bias and smaller variance than approaches without reward imputation. Furthermore, our approach enjoys a sublinear regret bound against the optimal policy. We also present two extensions, a rate-scheduled version and a version for nonlinear rewards, making our approach more practical. Experimental results show that SPUIR outperforms state-of-the-art baselines on synthetic, public benchmark, and real-world datasets.
Deep Learning
Federated learning (FL) is a distributed paradigm that coordinates massive local clients to collaboratively train a global model via stage-wise local training processes on the heterogeneous dataset. Previous works have implicitly studied that FL suffers from the "client-drift" problem, which is caused by the inconsistent optimum across local clients. However, till now it still lacks solid theoretical analysis to explain the impact of this local inconsistency. To alleviate the negative impact of the "client drift" and explore its substance in FL, in this paper, we first design an efficient FL algorithm FedInit, which allows employing the personalized relaxed initialization state at the beginning of each local training stage. Specifically, FedInit initializes the local state by moving away from the current global state towards the reverse direction of the latest local state. This relaxed initialization helps to revise the local divergence and enhance the local consistency level. Moreover, to further understand how inconsistency disrupts performance in FL, we introduce the excess risk analysis and study the divergence term to investigate the test error of the proposed FedInit method. Our studies show that on the non-convex objectives, optimization error is not sensitive to this local inconsistency, while it mainly affects the generalization error bound in FedInit. Extensive experiments are conducted to validate this conclusion. Our proposed FedInit could achieve state-of-the-art (SOTA) results compared to several advanced benchmarks without any additional costs. Meanwhile, stage-wise relaxed initialization could also be incorporated into the current advanced algorithms to achieve higher performance in the FL paradigm.
Deep Learning/Generative Models and Autoencoders
Latent space EBMs, also known as energy-based priors, have drawn growing interests in the field of generative modeling due to its flexibility in the formulation and strong modeling power of the latent space. However, the common practice of learning latent space EBMs with non-convergent short-run MCMC for prior and posterior sampling is hindering the model from further progress; the degenerate MCMC sampling quality in practice often leads to degraded generation quality and instability in training, especially with highly multi-modal and/or high-dimensional target distributions. To remedy this sampling issue, in this paper we introduce a simple but effective diffusion-based amortization method for long-run MCMC sampling and develop a novel learning algorithm for the latent space EBM based on it. We provide theoretical evidence that the learned amortization of MCMC is a valid long-run MCMC sampler. Experiments on several image modeling benchmark datasets demonstrate the superior performance of our method compared with strong counterparts.
Applications/Computer Vision
Scene synthesis is a challenging problem with several industrial applications. Recently, substantial efforts have been directed to synthesize the scene using human motions, room layouts, or spatial graphs as the input. However, few studies have addressed this problem from multiple modalities, especially combining text prompts. In this paper, we propose a language-driven scene synthesis task, which is a new task that integrates text prompts, human motion, and existing objects for scene synthesis. Unlike other single-condition synthesis tasks, our problem involves multiple conditions and requires a strategy for processing and encoding them into a unified space. To address the challenge, we present a multi-conditional diffusion model, which differs from the implicit unification approach of other diffusion literature by explicitly predicting the guiding points for the original data distribution. We demonstrate that our approach is theoretically supportive. The intensive experiment results illustrate that our method outperforms state-of-the-art benchmarks and enables natural scene editing applications. The source code and dataset can be accessed at https://lang-scene-synth.github.io/.
Applications/Computer Vision
Human actions in egocentric videos often feature hand-object interactions composed of a verb (performed by the hand) applied to an object. Despite their extensive scaling up, egocentric datasets still face two limitations — sparsity of action compositions and a closed set of interacting objects. This paper proposes a novel open vocabulary action recognition task. Given a set of verbs and objects observed during training, the goal is to generalize the verbs to an open vocabulary of actions with seen and novel objects. To this end, we decouple the verb and object predictions via an object-agnostic _verb encoder_ and a prompt-based _object encoder_. The prompting leverages CLIP representations to predict an open vocabulary of interacting objects. We create open vocabulary benchmarks on the EPIC-KITCHENS-100 and Assembly101 datasets; whereas closed-action methods fail to generalize, our proposed method is effective. In addition, our object encoder significantly outperforms existing open-vocabulary visual recognition methods in recognizing novel interacting objects.
Miscellaneous Aspects of Machine Learning/Transfer, Multitask and Meta-learning
Adapter-style efficient transfer learning (ETL) has shown excellent performance in the tuning of vision-language models (VLMs) under the low-data regime, where only a few additional parameters are introduced to excavate the task-specific knowledge based on the general and powerful representation of VLMs. However, most adapter-style works face two limitations: (i) modeling task-specific knowledge with a single modality only; and (ii) overlooking the exploitation of the inter-class relationships in downstream tasks, thereby leading to sub-optimal solutions. To mitigate that, we propose an effective adapter-style tuning strategy, dubbed GraphAdapter, which performs the textual adapter by explicitly modeling the dual-modality structure knowledge (i.e., the correlation of different semantics/classes in textual and visual modalities) with a dual knowledge graph. In particular, the dual knowledge graph is established with two sub-graphs, i.e., a textual knowledge sub-graph, and a visual knowledge sub-graph, where the nodes and edges represent the semantics/classes and their correlations in two modalities, respectively. This enables the textual feature of each prompt to leverage the task-specific structure knowledge from both textual and visual modalities, yielding a more effective classifier for downstream tasks. Extensive experimental results on 11 benchmark datasets reveal that our GraphAdapter significantly outperforms the previous adapter-based methods.
Applications/Computer Vision
It is a long-term vision for Autonomous Driving (AD) community that the perception models can learn from a large-scale point cloud dataset, to obtain unified representations that can achieve promising results on different tasks or benchmarks. Previous works mainly focus on the self-supervised pre-training pipeline, meaning that they perform the pre-training and fine-tuning on the same benchmark, which is difficult to attain the performance scalability and cross-dataset application for the pre-training checkpoint. In this paper, for the first time, we are committed to building a large-scale pre-training point-cloud dataset with diverse data distribution, and meanwhile learning generalizable representations from such a diverse pre-training dataset. We formulate the point-cloud pre-training task as a semi-supervised problem, which leverages the few-shot labeled and massive unlabeled point-cloud data to generate the unified backbone representations that can be directly applied to many baseline models and benchmarks, decoupling the AD-related pre-training process and downstream fine-tuning task. During the period of backbone pre-training, by enhancing the scene- and instance-level distribution diversity and exploiting the backbone's ability to learn from unknown instances, we achieve significant performance gains on a series of downstream perception benchmarks including Waymo, nuScenes, and KITTI, under different baseline models like PV-RCNN++, SECOND, CenterPoint.
Probabilistic Methods/Bayesian Models and Methods
Bayesian deep learning (BDL) is a promising approach to achieve well-calibrated predictions on distribution-shifted data. Nevertheless, there exists no large-scale survey that evaluates recent SOTA methods on diverse, realistic, and challenging benchmark tasks in a systematic manner. To provide a clear picture of the current state of BDL research, we evaluate modern BDL algorithms on real-world datasets from the WILDS collection containing challenging classification and regression tasks, with a focus on generalization capability and calibration under distribution shift. We compare the algorithms on a wide range of large, convolutional and transformer-based neural network architectures. In particular, we investigate a signed version of the expected calibration error that reveals whether the methods are over- or underconfident, providing further insight into the behavior of the methods. Further, we provide the first systematic evaluation of BDL for fine-tuning large pre-trained models, where training from scratch is prohibitively expensive. Finally, given the recent success of Deep Ensembles, we extend popular single-mode posterior approximations to multiple modes by the use of ensembles. While we find that ensembling single-mode approximations generally improves the generalization capability and calibration of the models by a significant margin, we also identify a failure mode of ensembles when finetuning large transformer-based language models. In this setting, variational inference based approaches such as last-layer Bayes By Backprop outperform other methods in terms of accuracy by a large margin, while modern approximate inference algorithms such as SWAG achieve the best calibration.
Miscellaneous Aspects of Machine Learning/Unsupervised and Semi-supervised Learning
Spectral clustering has gained popularity for clustering non-convex data due to its simplicity and effectiveness. It is essential to construct a similarity graph using a high-quality affinity measure that models the local neighborhood relations among the data samples. However, incomplete data can lead to inaccurate affinity measures, resulting in degraded clustering performance. To address these issues, we propose an imputation-free framework with two novel approaches to improve spectral clustering on incomplete data. Firstly, we introduce a new kernel correction method that enhances the quality of the kernel matrix estimated on incomplete data with a theoretical guarantee, benefiting classical spectral clustering on pre-defined kernels. Secondly, we develop a series of affinity learning methods that equip the self-expressive framework with $\ell_p$-norm to construct an intrinsic affinity matrix with an adaptive extension. Our methods outperform existing data imputation and distance calibration techniques on benchmark datasets, offering a promising solution to spectral clustering on incomplete data in various real-world applications.
Applications/Genetics, Cell Biology, etc
Phylogenetic inference, grounded in molecular evolution models, is essential for understanding the evolutionary relationships in biological data. Accounting for the uncertainty of phylogenetic tree variables, which include tree topologies and evolutionary distances on branches, is crucial for accurately inferring species relationships from molecular data and tasks requiring variable marginalization. Variational Bayesian methods are key to developing scalable, practical models; however, it remains challenging to conduct phylogenetic inference without restricting the combinatorially vast number of possible tree topologies. In this work, we introduce a novel, fully differentiable formulation of phylogenetic inference that leverages a unique representation of topological distributions in continuous geometric spaces. Through practical considerations on design spaces and control variates for gradient estimations, our approach, GeoPhy, enables variational inference without limiting the topological candidates. In experiments using real benchmark datasets, GeoPhy significantly outperformed other approximate Bayesian methods that considered whole topologies.
Social Aspects/Trustworthy Machine Learning
Federated Learning (FL) is a distributed machine learning paradigm that allows multiple clients to train a global model collaboratively without sharing their local training data. Due to its distributed nature, many studies have shown that it is vulnerable to backdoor attacks. However, existing studies usually used a predetermined, fixed backdoor trigger or optimized it based solely on the local data and model without considering the global training dynamics. This leads to sub-optimal and less durable attack effectiveness, i.e., their attack success rate is low when the attack budget is limited and decreases quickly if the attacker can no longer perform attacks anymore. To address these limitations, we propose A3FL, a new backdoor attack which adversarially adapts the backdoor trigger to make it less likely to be removed by the global training dynamics. Our key intuition is that the difference between the global model and the local model in FL makes the local-optimized trigger much less effective when transferred to the global model. We solve this by optimizing the trigger to even survive the worst-case scenario where the global model was trained to directly unlearn the trigger. Extensive experiments on benchmark datasets are conducted for twelve existing defenses to comprehensively evaluate the effectiveness of our A3FL. Our code is available at https://github.com/hfzhang31/A3FL.
Miscellaneous Aspects of Machine Learning/Transfer, Multitask and Meta-learning
We introduce Meta-AdaM, a meta-learned adaptive optimizer with momentum, designed for few-shot learning tasks that pose significant challenges to deep learning models due to the limited number of labeled examples. Meta-learning has been successfully employed to address these challenges by transferring meta-learned prior knowledge to new tasks. Most existing works focus on meta-learning an optimal model initialization or an adaptive learning rate learner for rapid convergence. However, these approaches either neglect to consider weight-update history for the adaptive learning rate learner or fail to effectively integrate momentum for fast convergence, as seen in many-shot learning settings. To tackle these limitations, we propose a meta-learned learning rate learner that utilizes weight-update history as input to predict more appropriate learning rates for rapid convergence. Furthermore, for the first time, our approach incorporates momentum into the optimization process of few-shot learning via a double look-ahead mechanism, enabling rapid convergence similar to many-shot settings. Extensive experimental results on benchmark datasets demonstrate the effectiveness of the proposed Meta-AdaM.
Social Aspects/Privacy-preserving Statistics and Machine Learning
Existing private synthetic data generation algorithms are agnostic to downstream tasks. However, end users may have specific requirements that the synthetic data must satisfy. Failure to meet these requirements could significantly reduce the utility of the data for downstream use. We introduce a post-processing technique that improves the utility of the synthetic data with respect to measures selected by the end user, while preserving strong privacy guarantees and dataset quality. Our technique involves resampling from the synthetic data to filter out samples that do not meet the selected utility measures, using an efficient stochastic first-order algorithm to find optimal resampling weights. Through comprehensive numerical experiments, we demonstrate that our approach consistently improves the utility of synthetic data across multiple benchmark datasets and state-of-the-art synthetic data generation algorithms.
Miscellaneous Aspects of Machine Learning/Online Learning, Active Learning and Bandits
Noisy partial label learning (noisy PLL) is an important branch of weakly supervised learning. Unlike PLL where the ground-truth label must conceal in the candidate label set, noisy PLL relaxes this constraint and allows the ground-truth label may not be in the candidate label set. To address this challenging problem, most of the existing works attempt to detect noisy samples and estimate the ground-truth label for each noisy sample. However, detection errors are unavoidable. These errors can accumulate during training and continuously affect model optimization. To this end, we propose a novel framework for noisy PLL with theoretical interpretations, called ``Adjusting Label Importance Mechanism (ALIM)''. It aims to reduce the negative impact of detection errors by trading off the initial candidate set and model outputs. ALIM is a plug-in strategy that can be integrated with existing PLL approaches. Experimental results on multiple benchmark datasets demonstrate that our method can achieve state-of-the-art performance on noisy PLL. Our code is available at: https://github.com/zeroQiaoba/ALIM.
Social Aspects/Trustworthy Machine Learning
Out-of-distribution (OOD) detection is critical to building reliable machine learning systems in the open world. Researchers have proposed various strategies to reduce model overconfidence on OOD data. Among them, ReAct is a typical and effective technique to deal with model overconfidence, which truncates high activations to increase the gap between in-distribution and OOD. Despite its promising results, is this technique the best choice? To answer this question, we leverage the variational method to find the optimal operation and verify the necessity of suppressing abnormally low and high activations and amplifying intermediate activations in OOD detection, rather than focusing only on high activations like ReAct. This motivates us to propose a novel technique called ``Variational Rectified Activation (VRA)'', which simulates these suppression and amplification operations using piecewise functions. Experimental results on multiple benchmark datasets demonstrate that our method outperforms existing post-hoc strategies. Meanwhile, VRA is compatible with different scoring functions and network architectures. Our code is available at https://github.com/zeroQiaoba/VRA.
Deep Learning/Graph Neural Networks
Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the limitations of GNNs has primarily employed a \emph{model-driven} approach that leverage heuristics and domain knowledge from network science or graph theory to model the GNN behaviors, which is time-consuming and highly subjective. In this work, we propose a \emph{metadata-driven} approach to analyze the sensitivity of GNNs to graph data properties, motivated by the increasing availability of graph learning benchmarks. We perform a multivariate sparse regression analysis on the metadata derived from benchmarking GNN performance across diverse datasets, yielding a set of salient data properties. To validate the effectiveness of our data-driven approach, we focus on one identified data property, the degree distribution, and investigate how this property influences GNN performance through theoretical analysis and controlled experiments. Our theoretical findings reveal that datasets with more balanced degree distribution exhibit better linear separability of node representations, thus leading to better GNN performance. We also conduct controlled experiments using synthetic datasets with varying degree distributions, and the results align well with our theoretical findings. Collectively, both the theoretical analysis and controlled experiments verify that the proposed metadata-driven approach is effective in identifying critical data properties for GNNs.
Deep Learning/Sequential Models, Time series
Deep Neural Networks (DNNs) have been criticized because they easily overfit noisy (incorrect) labels. To improve the robustness of DNNs, existing methods for image data regard samples with small training losses as correctly labeled data (small-loss criterion). Nevertheless, time series' discriminative patterns are easily distorted by external noises (i.e., frequency perturbations) during the recording process. This results in training losses of some time series samples that do not meet the small-loss criterion. Therefore, this paper proposes a deep learning paradigm called Scale-teaching to cope with time series noisy labels. Specifically, we design a fine-to-coarse cross-scale fusion mechanism for learning discriminative patterns by utilizing time series at different scales to train multiple DNNs simultaneously. Meanwhile, each network is trained in a cross-teaching manner by using complementary information from different scales to select small-loss samples as clean labels. For unselected large-loss samples, we introduce multi-scale embedding graph learning via label propagation to correct their labels by using selected clean samples. Experiments on multiple benchmark time series datasets demonstrate the superiority of the proposed Scale-teaching paradigm over state-of-the-art methods in terms of effectiveness and robustness.
Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques
Classical federated learning (FL) enables training machine learning models without sharing data for privacy preservation, but heterogeneous data characteristic degrades the performance of the localized model. Personalized FL (PFL) addresses this by synthesizing personalized models from a global model via training on local data. Such a global model may overlook the specific information that the clients have been sampled. In this paper, we propose a novel scheme to inject personalized prior knowledge into the global model in each client, which attempts to mitigate the introduced incomplete information problem in PFL. At the heart of our proposed approach is a framework, the $\textit{PFL with Bregman Divergence}$ (pFedBreD), decoupling the personalized prior from the local objective function regularized by Bregman divergence for greater adaptability in personalized scenarios. We also relax the mirror descent (RMD) to extract the prior explicitly to provide optional strategies. Additionally, our pFedBreD is backed up by a convergence analysis. Sufficient experiments demonstrate that our method reaches the $\textit{state-of-the-art}$ performances on 5 datasets and outperforms other methods by up to 3.5% across 8 benchmarks. Extensive analyses verify the robustness and necessity of proposed designs. The code will be made public.