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Deep Learning · Sequential Models, Time series

T. Konstantin Rusch, Daniela Rus

We propose Linear Oscillatory State-Space models (LinOSS) for efficiently learning on long sequences. Inspired by cortical dynamics of biological neural networks, we base our proposed LinOSS model on a system of forced harmonic oscillators. A stable discretization, integrated over time using fast associative parallel scans, yields the proposed state-space model. We prove that LinOSS produces stable dynamics only requiring nonnegative diagonal state matrix. This is in stark contrast to many previous state-space models relying heavily on restrictive parameterizations. Moreover, we rigorously show that LinOSS is universal, i.e., it can approximate any continuous and causal operator mapping between time-varying functions, to desired accuracy. In addition, we show that an implicit-explicit discretization of LinOSS perfectly conserves the symmetry of time reversibility of the underlying dynamics. Together, these properties enable efficient modeling of long-range interactions, while ensuring stable and accurate long-horizon forecasting. Finally, our empirical results, spanning a wide range of time-series tasks from mid-range to very long-range classification and regression, as well as long-horizon forecasting, demonstrate that our proposed LinOSS model consistently outperforms state-of-the-art sequence models. Notably, LinOSS outperforms Mamba and LRU by nearly 2x on a sequence modeling task with sequences of length 50k.

Deep Learning · Robustness

Yan Scholten, Stephan Günnemann

Conformal prediction provides model-agnostic and distribution-free uncertainty quantification through prediction sets that are guaranteed to include the ground truth with any user-specified probability. Yet, conformal prediction is not reliable under poisoning attacks where adversaries manipulate both training and calibration data, which can significantly alter prediction sets in practice. As a solution, we propose reliable prediction sets (RPS): the first efficient method for constructing conformal prediction sets with provable reliability guarantees under poisoning. To ensure reliability under training poisoning, we introduce smoothed score functions that reliably aggregate predictions of classifiers trained on distinct partitions of the training data. To ensure reliability under calibration poisoning, we construct multiple prediction sets, each calibrated on distinct subsets of the calibration data. We then aggregate them into a majority prediction set, which includes a class only if it appears in a majority of the individual sets. Both proposed aggregations mitigate the influence of datapoints in the training and calibration data on the final prediction set. We experimentally validate our approach on image classification tasks, achieving strong reliability while maintaining utility and preserving coverage on clean data. Overall, our approach represents an important step towards more trustworthy uncertainty quantification in the presence of data poisoning.

Applications · Computer Vision

Fadi Khatib, Yoni Kasten, Dror Moran, Meirav Galun, Ronen Basri

Multiview Structure from Motion is a fundamental and challenging computer vision problem. A recent deep-based approach utilized matrix equivariant architectures for simultaneous recovery of camera pose and 3D scene structure from large image collections. That work, however, made the unrealistic assumption that the point tracks given as input are almost clean of outliers. Here, we propose an architecture suited to dealing with outliers by adding a multiview inlier/outlier classification module that respects the model equivariance and by utilizing a robust bundle adjustment step. Experiments demonstrate that our method can be applied successfully in realistic settings that include large image collections and point tracks extracted with common heuristics that include many outliers, achieving state-of-the-art accuracies in almost all runs, superior to existing deep-based methods and on-par with leading classical (non-deep) sequential and global methods.

Deep Learning · Large Language Models

Sinan Fan, Liang Xie, Chen Shen, Ge Teng, Xiaosong Yuan, Xiaofeng Zhang, Chenxi Huang, Wenxiao Wang, Xiaofei He, Jieping Ye

Prompt Tuning (PT) has emerged as a promising Parameter-Efficient Fine-Tuning (PEFT) approach by appending trainable continuous prompt vectors to the input, maintaining competitive performance with significantly fewer trainable parameters. While PT has shown effectiveness in enhancing task performance, particularly for classification tasks, its application to complex reasoning tasks has been largely overlooked. Our investigation reveals that PT provides limited improvement and may even degrade performance in reasoning tasks. This phenomenon suggests that soft prompts can positively impact certain instances while negatively affecting others, particularly during the latter stages of reasoning.To address these challenges, we propose a novel method called Dynamic Prompt Corruption (DPC), which seeks to optimize the use of soft prompts in reasoning tasks. DPC dynamically adjusts the influence of soft prompts based on their impact on the reasoning process. Specifically, it involves two key components: Dynamic Trigger and Dynamic Corruption. Dynamic Trigger measures the influence of soft prompts, determining whether their impact is beneficial or detrimental. Dynamic Corruption mitigates the negative effects of soft prompts by selectively masking key tokens that interfere with the reasoning process.We validate our approach through extensive experiments on various large language models (LLMs) and reasoning tasks, including GSM8K, MATH, and AQuA. The results demonstrate that Dynamic Prompt Corruption consistently improves the performance of LLMs, achieving 4\%-8\% accuracy gains compared to standard prompt tuning. These findings highlight the effectiveness of our approach and its potential to enhance complex reasoning in LLMs.

Social Aspects · Fairness, Equity, Justice and Safety

Ziyun Cui, Ziyang Zhang, Guangzhi Sun, Wen Wu, Chao Zhang

Advances in large language models raise the question of how alignment techniques will adapt as models become increasingly complex and humans will only be able to supervise them weakly. Weak-to-Strong mimics such a scenario where weak model supervision attempts to harness the full capabilities of a much stronger model. This work extends Weak-to-Strong to WeakS-to-Strong by exploring an ensemble of weak models which simulate the variability in human opinions. Confidence scores are estimated using a Bayesian approach to guide the WeakS-to-Strong generalization. Furthermore, we extend the application of WeakS-to-Strong from text classification tasks to text generation tasks where more advanced strategies are investigated for supervision. Moreover, direct preference optimization is applied to advance the student model's preference learning, beyond the basic learning framework of teacher forcing. Results demonstrate the effectiveness of the proposed approach for the reliability of a strong student model, showing potential for superalignment.

Deep Learning · Large Language Models

Zijian Chen, tingzhu chen, Wenjun Zhang, Guangtao Zhai

We introduce OBI-Bench, a holistic benchmark crafted to systematically evaluate large multi-modal models (LMMs) on whole-process oracle bone inscriptions (OBI) processing tasks demanding expert-level domain knowledge and deliberate cognition. OBI-Bench includes 5,523 meticulously collected diverse-sourced images, covering five key domain problems: recognition, rejoining, classification, retrieval, and deciphering. These images span centuries of archaeological findings and years of research by front-line scholars, comprising multi-stage font appearances from excavation to synthesis, such as original oracle bone, inked rubbings, oracle bone fragments, cropped single characters, and handprinted characters. Unlike existing benchmarks, OBI-Bench focuses on advanced visual perception and reasoning with OBI-specific knowledge, challenging LMMs to perform tasks akin to those faced by experts. The evaluation of 6 proprietary LMMs as well as 17 open-source LMMs highlights the substantial challenges and demands posed by OBI-Bench. Even the latest versions of GPT-4o, Gemini 1.5 Pro, and Qwen-VL-Max are still far from public-level humans in some fine-grained perception tasks. However, they perform at a level comparable to untrained humans in deciphering tasks, indicating remarkable capabilities in offering new interpretative perspectives and generating creative guesses. We hope OBI-Bench can facilitate the community to develop domain-specific multi-modal foundation models towards ancient language research and delve deeper to discover and enhance these untapped potentials of LMMs.

Deep Learning · Algorithms

Ziheng Chen, Yue Song, Xiaojun Wu, Gaowen Liu, Nicu Sebe

Global Covariance Pooling (GCP) has been demonstrated to improve the performance of Deep Neural Networks (DNNs) by exploiting second-order statistics of high-level representations. GCP typically performs classification of the covariance matrices by applying matrix function normalization, such as matrix logarithm or power, followed by a Euclidean classifier. However, covariance matrices inherently lie in a Riemannian manifold, known as the Symmetric Positive Definite (SPD) manifold. The current literature does not provide a satisfactory explanation of why Euclidean classifiers can be applied directly to Riemannian features after the normalization of the matrix power. To mitigate this gap, this paper provides a comprehensive and unified understanding of the matrix logarithm and power from a Riemannian geometry perspective. The underlying mechanism of matrix functions in GCP is interpreted from two perspectives: one based on tangent classifiers (Euclidean classifiers on the tangent space) and the other based on Riemannian classifiers. Via theoretical analysis and empirical validation through extensive experiments on fine-grained and large-scale visual classification datasets, we conclude that the working mechanism of the matrix functions should be attributed to the Riemannian classifiers they implicitly respect. The code is available at https://github.com/GitZH-Chen/RiemGCP.git.

Zeyuan Allen-Zhu, Yuanzhi Li

Language models can store vast factual knowledge, yet their ability to flexibly use this knowledge for downstream tasks (e.g., via instruction finetuning) remains questionable. This paper investigates four fundamental knowledge manipulation tasks: \textbf{retrieval} (e.g., "What is person A's attribute X?"), \textbf{classification} (e.g., "Is A's attribute X even or odd?"), \textbf{comparison} (e.g., "Is A greater than B in attribute X?"), and \textbf{inverse search} (e.g., "Which person's attribute X equals T?").We show that language models excel in knowledge retrieval but struggle even in the simplest classification or comparison tasks unless Chain of Thoughts (CoTs) are employed during both training and inference. Moreover, their performance in inverse knowledge search is virtually 0\%, regardless of the prompts.Our primary contribution is a \emph{controlled, synthetic experiment} that confirms these weaknesses are \emph{inherent} to language models: they cannot efficiently manipulate knowledge from pre-training data, even when such knowledge is perfectly stored in the models, despite adequate training and sufficient model size. Our findings also apply to modern pretrained language models such as GPT-4, thus giving rise to many Turing tests to distinguish Humans from contemporary AIs.

Miscellaneous Aspects of Machine Learning · Everything Else

Yuhang Li, Zhuying Li, Yuheng Jia

Complementary label learning (CLL) is a weakly supervised learning paradigm that constructs a multi-class classifier only with complementary labels, specifying classes that the instance does not belong to. We reformulate CLL as an inverse problem that infers the full label information from the output space information. To be specific, we propose to split the inverse problem into two subtasks: positive label guessing (PLG) and negative label enhancement (NLE), collectively called PLNL. Specifically, we use well-designed criteria for evaluating the confidence of the model output, accordingly divide the training instances into three categories: highly-confident, moderately-confident and under-confident. For highly-confident instances, we perform PLG to assign them pseudo labels for supervised training. For moderately-confident and under-confident instances, we perform NLE by enhancing their complementary label set at different levels and train them with the augmented complementary labels iteratively. In addition, we unify PLG and NLE into a consistent framework, in which we can view all the pseudo-labeling-based methods from the perspective of negative label recovery. We prove that the error rates of both PLG and NLE are upper bounded, and based on that we can construct a classifier consistent with that learned by clean full labels. Extensive experiments demonstrate the superiority of PLNL over the state-of-the-art CLL methods, e.g., on STL-10, we increase the classification accuracy from 34.96\% to 55.25\%. The source code is available at https://github.com/yhli-ml/PLNL.

Applications · Computer Vision

Jeremy Irvin, Emily Liu, Joyce Chen, Ines Dormoy, Jinyoung Kim, Samar Khanna, Zhuo Zheng, Stefano Ermon

Large vision and language assistants have enabled new capabilities for interpreting natural images. These approaches have recently been adapted to earth observation data, but they are only able to handle single image inputs, limiting their use for many real-world tasks. In this work, we develop a new vision and language assistant called TEOChat that can engage in conversations about temporal sequences of earth observation data. To train TEOChat, we curate an instruction-following dataset composed of many single image and temporal tasks including building change and damage assessment, semantic change detection, and temporal scene classification. We show that TEOChat can perform a wide variety of spatial and temporal reasoning tasks, substantially outperforming previous vision and language assistants, and even achieving comparable or better performance than several specialist models trained to perform specific tasks. Furthermore, TEOChat achieves impressive zero-shot performance on a change detection and change question answering dataset, outperforms GPT-4o and Gemini 1.5 Pro on multiple temporal tasks, and exhibits stronger single image capabilities than a comparable single image instruction-following model on scene classification, visual question answering, and captioning. We publicly release our data, models, and code at https://github.com/ermongroup/TEOChat .

Social Aspects · Privacy-preserving Statistics and Machine Learning

Shurong Wang, Zhuoyang Shen, Xinbao Qiao, Tongning Zhang, Meng Zhang

Random Forests are widely recognized for establishing efficacy in classification and regression tasks, standing out in various domains such as medical diagnosis, finance, and personalized recommendations. These domains, however, are inherently sensitive to privacy concerns, as personal and confidential data are involved. With increasing demand for the right to be forgotten, particularly under regulations such as GDPR and CCPA, the ability to perform machine unlearning has become crucial for Random Forests. However, insufficient attention was paid to this topic, and existing approaches face difficulties in being applied to real-world scenarios. Addressing this gap, we propose the DynFrs framework designed to enable efficient machine unlearning in Random Forests while preserving predictive accuracy. Dynfrs leverages subsampling method Occ(q) and a lazy tag strategy Lzy, and is still adaptable to any Random Forest variant. In essence, Occ(q) ensures that each sample in the training set occurs only in a proportion of trees so that the impact of deleting samples is limited, and Lzy delays the reconstruction of a tree node until necessary, thereby avoiding unnecessary modifications on tree structures. In experiments, applying Dynfrs on Extremely Randomized Trees yields substantial improvements, achieving orders of magnitude faster unlearning performance and better predictive accuracy than existing machine unlearning methods for Random Forests.

Chentao Cao, Zhun Zhong, (Andrew) Zhanke Zhou, Tongliang Liu, Yang Liu, Kun Zhang, Bo Han

Test-time adaptation (TTA) aims to address distribution shifts between source and target data by relying solely on target data during testing. In open-world scenarios, models often encounter noisy samples, i.e., samples outside the in-distribution (ID) label space. Leveraging the zero-shot capability of pre-trained vision-language models (VLMs), this paper introduces Zero-Shot Noisy TTA (ZS-NTTA), focusing on adapting the model to target data with noisy samples during test-time in a zero-shot manner. In the preliminary study, we reveal that existing TTA methods suffer from a severe performance decline under ZS-NTTA, often lagging behind even the frozen model. We conduct comprehensive experiments to analyze this phenomenon, revealing that the negative impact of unfiltered noisy data outweighs the benefits of clean data during model updating. In addition, as these methods adopt the adapting classifier to implement ID classification and noise detection sub-tasks, the ability of the model in both sub-tasks is largely hampered. Based on this analysis, we propose a novel framework that decouples the classifier and detector, focusing on developing an individual detector while keeping the classifier (including the backbone) frozen. Technically, we introduce the Adaptive Noise Detector (AdaND), which utilizes the frozen model's outputs as pseudo-labels to train a noise detector for detecting noisy samples effectively. To address clean data streams, we further inject Gaussian noise during adaptation, preventing the detector from misclassifying clean samples as noisy. Beyond the ZS-NTTA, AdaND can also improve the zero-shot out-of-distribution (ZS-OOD) detection ability of VLMs. Extensive experiments show that our method outperforms in both ZS-NTTA and ZS-OOD detection. On ImageNet, AdaND achieves a notable improvement of $8.32\%$ in harmonic mean accuracy ($\text{Acc}_\text{H}$) for ZS-NTTA and $9.40\%$ in FPR95 for ZS-OOD detection, compared to state-of-the-art methods. Importantly, AdaND is computationally efficient and comparable to the model-frozen method. The code is publicly available at: https://github.com/tmlr-group/ZS-NTTA.

Applications · Genetics, Cell Biology, Health, etc

Yuxuan Sun, Yunlong Zhang, Yixuan Si, Chenglu Zhu, Kai Zhang, Zhongyi Shui, Jingxiong Li, Xuan Gong, XINHENG LYU, Tao Lin 等

Vision Language Models (VLMs) like CLIP have attracted substantial attention in pathology, serving as backbones for applications such as zero-shot image classification and Whole Slide Image (WSI) analysis. Additionally, they can function as vision encoders when combined with large language models (LLMs) to support broader capabilities. Current efforts to train pathology VLMs rely on pathology image-text pairs from platforms like PubMed, YouTube, and Twitter, which provide limited, unscalable data with generally suboptimal image quality. In this work, we leverage large-scale WSI datasets like TCGA to extract numerous high-quality image patches. We then train a large multimodal model (LMM) to generate captions for extracted images, creating PathGen-1.6M, a dataset containing 1.6 million high-quality image-caption pairs. Our approach involves multiple agent models collaborating to extract representative WSI patches, generating and refining captions to obtain high-quality image-text pairs. Extensive experiments show that integrating these generated pairs with existing datasets to train a pathology-specific CLIP model, PathGen-CLIP, significantly enhances its ability to analyze pathological images, with substantial improvements across nine pathology-related zero-shot image classification tasks and three whole-slide image tasks. Furthermore, we construct 200K instruction-tuning data based on PathGen-1.6M and integrate PathGen-CLIP with the Vicuna LLM to create more powerful multimodal models through instruction tuning. Overall, we provide a scalable pathway for high-quality data generation in pathology, paving the way for next-generation general pathology models. Our dataset, code, and model are open-access at https://github.com/PathFoundation/PathGen-1.6M.

Yuxuan Sun, Yunlong Zhang, Yixuan Si, Chenglu Zhu, Kai Zhang, Zhongyi Shui, Jingxiong Li, Xuan Gong, XINHENG LYU, Tao Lin 等

Vision Language Models (VLMs) like CLIP have attracted substantial attention in pathology, serving as backbones for applications such as zero-shot image classification and Whole Slide Image (WSI) analysis. Additionally, they can function as vision encoders when combined with large language models (LLMs) to support broader capabilities. Current efforts to train pathology VLMs rely on pathology image-text pairs from platforms like PubMed, YouTube, and Twitter, which provide limited, unscalable data with generally suboptimal image quality. In this work, we leverage large-scale WSI datasets like TCGA to extract numerous high-quality image patches. We then train a large multimodal model (LMM) to generate captions for extracted images, creating PathGen-1.6M, a dataset containing 1.6 million high-quality image-caption pairs. Our approach involves multiple agent models collaborating to extract representative WSI patches, generating and refining captions to obtain high-quality image-text pairs. Extensive experiments show that integrating these generated pairs with existing datasets to train a pathology-specific CLIP model, PathGen-CLIP, significantly enhances its ability to analyze pathological images, with substantial improvements across nine pathology-related zero-shot image classification tasks and three whole-slide image tasks. Furthermore, we construct 200K instruction-tuning data based on PathGen-1.6M and integrate PathGen-CLIP with the Vicuna LLM to create more powerful multimodal models through instruction tuning. Overall, we provide a scalable pathway for high-quality data generation in pathology, paving the way for next-generation general pathology models. Our dataset, code, and model are open-access at https://github.com/PathFoundation/PathGen-1.6M.

Deep Learning · Large Language Models

Yunfei Xie, Ce Zhou, Lang Gao, Juncheng Wu, Xianhang Li, Hong-Yu Zhou, Sheng Liu, Lei Xing, James Y Zou, Cihang Xie 等

This paper introduces MedTrinity-25M, a comprehensive, large-scale multimodal dataset for medicine, covering over 25 million images across 10 modalities with multigranular annotations for more than 65 diseases. These multigranular annotations encompass both global information, such as modality and organ detection, and local information like ROI analysis, lesion texture, and region-wise correlations. Unlike the existing multimodal datasets, which are limited by the availability of image-text pairs, we have developed the first automated pipeline that scales up multimodal data by generating multigranular visual and textual annotations in the form of image-ROI-description triplets without the need for any paired text descriptions. Specifically, data from over 30 different sources have been collected, preprocessed, and grounded using domain-specific expert models to identify ROIs related to abnormal regions. We then build a comprehensive knowledge base and prompt multimodal large language models to perform retrieval-augmented generation with the identified ROIs as guidance, resulting in multigranular textual descriptions. Compared to existing datasets, MedTrinity-25M provides the most enriched annotations, supporting a comprehensive range of multimodal tasks such as captioning and report generation, as well as vision-centric tasks like classification and segmentation. We propose LLaVA-Tri by pretraining LLaVA on MedTrinity-25M, achieving state-of-the-art performance on VQA-RAD, SLAKE, and PathVQA, surpassing representative SOTA multimodal large language models. Furthermore, MedTrinity-25M can also be utilized to support large-scale pre-training of multimodal medical AI models, contributing to the development of future foundation models in the medical domain. We will make our dataset available. The dataset is publicly available at https://yunfeixie233.github.io/MedTrinity-25M/.

Deep Learning · Other Representation Learning

Haoyuan Li, Yanpeng Zhou, Tao Tang, Jifei Song, Yihan Zeng, Michael Kampffmeyer, Hang Xu, Xiaodan Liang

Recent advancements in multi-modal 3D pre-training methods have shown promising efficacy in learning joint representations of text, images, and point clouds. However, adopting point clouds as 3D representation fails to fully capture the intricacies of the 3D world and exhibits a noticeable gap between the discrete points and the dense 2D pixels of images. To tackle this issue, we propose UniGS, integrating 3D Gaussian Splatting (3DGS) into multi-modal pre-training to enhance the 3D representation. We first rely on the 3DGS representation to model the 3D world as a collection of 3D Gaussians with color and opacity, incorporating all the information of the 3D scene while establishing a strong connection with 2D images. Then, to achieve Language-Image-3D pertaining, UniGS starts with a pretrained vision-language model to establish a shared visual and textual space through extensive real-world image-text pairs. Subsequently, UniGS employs a 3D encoder to align the optimized 3DGS with the Language-Image representations to learn unified multi-modal representations. To facilitate the extraction of global explicit 3D features by the 3D encoder and achieve better cross-modal alignment, we additionally introduce a novel Gaussian-Aware Guidance module that guides the learning of fine-grained representations of the 3D domain. Through extensive experiments across the Objaverse, ABO, MVImgNet and SUN RGBD datasets with zero-shot classification, text-driven retrieval and open-world understanding tasks, we demonstrate the effectiveness of UniGS in learning a more general and stronger aligned multi-modal representation. Specifically, UniGS achieves leading results across different 3D tasks with remarkable improvements over previous SOTA, Uni3D, including on zero-shot classification (+9.36%), text-driven retrieval (+4.3%) and open-world understanding (+7.92%).

Fei YE, Zaixiang Zheng, Dongyu Xue, Yuning Shen, Lihao Wang, Yiming Ma, Yan Wang, Xinyou Wang, Xiangxin Zhou, Quanquan Gu

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational dynamics. However, the capabilities and limitations associated with these models remain poorly understood due to the absence of a unified evaluation framework. To fill this gap, we introduce ProteinBench, a holistic evaluation framework designed to enhance the transparency of protein foundation models. Our approach consists of three key components: (i) A taxonomic classification of tasks that broadly encompass the main challenges in the protein domain, based on the relationships between different protein modalities; (ii) A multi-metric evaluation approach that assesses performance across four key dimensions: quality, novelty, diversity, and robustness; and (iii) In-depth analyses from various user objectives, providing a holistic view of model performance. Our comprehensive evaluation of protein foundation models reveals several key findings that shed light on their current capabilities and limitations. To promote transparency and facilitate further research, we release the evaluation dataset, code, and a public leaderboard publicly for further analysis and a general modular toolkit. We intend for ProteinBench to be a living benchmark for establishing a standardized, in-depth evaluation framework for protein foundation models, driving their development and application while fostering collaboration within the field.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Nan Zhou, Huiqun Wang, Yaoyan Zheng, Di Huang

Parameter Efficient Transfer Learning (PETL) excels in downstream classification fine-tuning with minimal computational overhead, demonstrating its potential within the pre-train and fine-tune paradigm. However, recent PETL methods consistently struggle when fine-tuning for semantic segmentation tasks, limiting their broader applicability. In this paper, we identify that fine-tuning for semantic segmentation requires larger parameter adjustments due to shifts in semantic perception granularity. Current PETL approaches are unable to effectively accommodate these shifts, leading to significant performance degradation. To address this, we introduce ProPETL, a novel approach that incorporates an additional midstream adaptation to progressively align pre-trained models for segmentation tasks. Through this process, ProPETL achieves state-of-the-art performance on most segmentation benchmarks and, for the first time, surpasses full fine-tuning on the challenging COCO-Stuff10k dataset. Furthermore, ProPETL demonstrates strong generalization across various pre-trained models and scenarios, highlighting its effectiveness and versatility for broader adoption in segmentation tasks. Code is available at: https://github.com/weeknan/ProPETL.

Deep Learning · Graph Neural Networks

Yifei Sun, Zemin Liu, Bryan Hooi, Yang Yang, Rizal Fathony, Jia Chen, Bingsheng He

Graphs are a complex and versatile data structure used across various domains, with possibly multi-label nodes playing a particularly crucial role. Examples include proteins in PPI networks with multiple functions and users in social or e-commerce networks exhibiting diverse interests. Tackling multi-label node classification (MLNC) on graphs has led to the development of various approaches. Some methods leverage graph neural networks (GNNs) to exploit label co-occurrence correlations, while others incorporate label embeddings to capture label proximity. However, these approaches fail to account for the intricate influences between labels in non-Euclidean graph data.To address this issue, we decompose the message passing process in GNNs into two operations: propagation and transformation. We then conduct a comprehensive analysis and quantification of the influence correlations between labels in each operation. Building on these insights, we propose a novel model, Label Influence Propagation (LIP). Specifically, we construct a label influence graph based on the integrated label correlations. Then, we propagate high-order influences through this graph, dynamically adjusting the learning process by amplifying labels with positive contributions and mitigating those with negative influence.Finally, our framework is evaluated on comprehensive benchmark datasets, consistently outperforming SOTA methods across various settings, demonstrating its effectiveness on MLNC tasks.

Deep Learning · Graph Neural Networks

Haitian Jiang, Renjie Liu, Zengfeng Huang, Yichuan Wang, Xiao Yan, Zhenkun Cai, Minjie Wang, David Wipf

Among the many variants of graph neural network (GNN) architectures capable of modeling data with cross-instance relations, an important subclass involves layers designed such that the forward pass iteratively reduces a graph-regularized energy function of interest. In this way, node embeddings produced at the output layer dually serve as both predictive features for solving downstream tasks (e.g., node classification) and energy function minimizers that inherit transparent, exploitable inductive biases and interpretability. However, scaling GNN architectures constructed in this way remains challenging, in part because the convergence of the forward pass may involve models with considerable depth. To tackle this limitation, we propose a sampling-based energy function and scalable GNN layers that iteratively reduce it, guided by convergence guarantees in certain settings. We also instantiate a full GNN architecture based on these designs, and the model achieves competitive accuracy and scalability when applied to the largest publicly-available node classification benchmark exceeding 1TB in size. Our source code is available at https://github.com/haitian-jiang/MuseGNN.