Daily Papers

Electroencephalogram (EEG)-based emotion recognition is an important affective computing task, and recent EEG foundation models provide useful generic representations for downstream adaptation. However, under the fine-tuning setting, three limitations remain prominent: insufficient modeling of multi-scale emotional dynamics, inadequate exploitation of inter-channel functional connectivity, and the limited expressive power of simple linear classification heads. To address these issues, this paper proposes a new EEG emotion recognition method, termed MSCGC-KAN, which introduces a structured task head composed of multi-scale causal graph convolution and Kolmogorov--Arnold feature mapping. Built on a pre-trained CBraMod backbone, MSCGC-KAN enhances downstream adaptation by jointly strengthening multi-scale temporal modeling, learnable inter-channel connectivity modeling, and nonlinear discriminative mapping within a compact task-specific head. This design preserves the representation advantage of the foundation model while making the classifier more sensitive to emotion-related spatiotemporal patterns. Extensive experiments are conducted on the public FACED and SEED-VII datasets. The proposed method achieves a balanced accuracy of 60.66\%, a Cohen's Kappa of 0.5525, and a weighted F1-score of 60.40\% on FACED, and obtains 33.27\%, 0.2223, and 33.64\%, respectively, on SEED-VII. Compared with the CBraMod+Linear baseline, the balanced accuracy is improved by 5.91 and 2.03 percentage points on the two datasets, respectively. These results indicate that structured task-head design is an effective way to improve EEG emotion recognition when fine-tuning pre-trained EEG models.

Earth Observation (EO) data are increasingly used in policy analysis by enabling granular estimation of treatment effects. However, a challenge in EO-based causal inference lies in balancing the trade-off between capturing fine-grained individual heterogeneity and broader contextual information. This paper introduces Multi-scale Concatenation, a family of composable procedures that transform arbitrary single-scale CATE estimation algorithms into multi-scale algorithms. We benchmark the performance of Multi-scale Concatenation on a CATE estimation pipeline combining Vision Transformer (ViT) models fine-tuned on satellite images to encode images of different scales with Causal Forests to obtain the final CATE estimate. We first perform simulation studies, showing how a multi-scale approach captures multi-level dynamics that single-scale ViT models fail to capture. We then apply the multi-scale method to two randomized controlled trials (RCTs) conducted in Peru and Uganda using Landsat satellite imagery. In the RCT analysis, the Rank Average Treatment Effect Ratio (RATE Ratio) measure is employed to assess performance without ground truth individual treatment effects. Results indicate that Multi-scale Concatenation improves the performance of deep learning models in EO-based CATE estimation without the complexity of designing new multi-scale architectures for a specific use case.

Causal discovery is essential for advancing data-driven fields such as scientific AI and data analysis, yet existing approaches face significant time- and space-efficiency bottlenecks when scaling to large graphs. To address this challenge, we present CauScale, a neural architecture designed for efficient causal discovery that scales inference to graphs with up to 1000 nodes. CauScale improves time efficiency via a reduction unit that compresses data embeddings and improves space efficiency by adopting tied attention weights to avoid maintaining axis-specific attention maps. To keep high causal discovery accuracy, CauScale adopts a two-stream design: a data stream extracts relational evidence from high-dimensional observations, while a graph stream integrates statistical graph priors and preserves key structural signals. CauScale successfully scales to 500-node graphs during training, where prior work fails due to space limitations. Across testing data with varying graph scales and causal mechanisms, CauScale achieves 99.6% mAP on in-distribution data and 84.4% on out-of-distribution data, while delivering 4-13,000 times inference speedups over prior methods. Our project page is at https://github.com/OpenCausaLab/CauScale.

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved, noisy, or dynamic, the problem of inferring graph structure from data becomes relevant. In this paper, we postulate a graph convolutional relationship between the observed and latent graphs, and formulate the graph learning task as a network inverse (deconvolution) problem. In lieu of eigendecomposition-based spectral methods or iterative optimization solutions, we unroll and truncate proximal gradient iterations to arrive at a parameterized neural network architecture that we call a Graph Deconvolution Network (GDN). GDNs can learn a distribution of graphs in a supervised fashion, perform link prediction or edge-weight regression tasks by adapting the loss function, and they are inherently inductive. We corroborate GDN's superior graph recovery performance and its generalization to larger graphs using synthetic data in supervised settings. Furthermore, we demonstrate the robustness and representation power of GDNs on real world neuroimaging and social network datasets.

Efficiently capturing the long-range patterns in sequential data sources salient to a given task -- such as classification and generative modeling -- poses a fundamental challenge. Popular approaches in the space tradeoff between the memory burden of brute-force enumeration and comparison, as in transformers, the computational burden of complicated sequential dependencies, as in recurrent neural networks, or the parameter burden of convolutional networks with many or large filters. We instead take inspiration from wavelet-based multiresolution analysis to define a new building block for sequence modeling, which we call a MultiresLayer. The key component of our model is the multiresolution convolution, capturing multiscale trends in the input sequence. Our MultiresConv can be implemented with shared filters across a dilated causal convolution tree. Thus it garners the computational advantages of convolutional networks and the principled theoretical motivation of wavelet decompositions. Our MultiresLayer is straightforward to implement, requires significantly fewer parameters, and maintains at most a O(Nlog N) memory footprint for a length N sequence. Yet, by stacking such layers, our model yields state-of-the-art performance on a number of sequence classification and autoregressive density estimation tasks using CIFAR-10, ListOps, and PTB-XL datasets.

Within the graph learning community, conventional wisdom dictates that spectral convolutional networks may only be deployed on undirected graphs: Only there could the existence of a well-defined graph Fourier transform be guaranteed, so that information may be translated between spatial- and spectral domains. Here we show this traditional reliance on the graph Fourier transform to be superfluous and -- making use of certain advanced tools from complex analysis and spectral theory -- extend spectral convolutions to directed graphs. We provide a frequency-response interpretation of newly developed filters, investigate the influence of the basis used to express filters and discuss the interplay with characteristic operators on which networks are based. In order to thoroughly test the developed theory, we conduct experiments in real world settings, showcasing that directed spectral convolutional networks provide new state of the art results for heterophilic node classification on many datasets and -- as opposed to baselines -- may be rendered stable to resolution-scale varying topological perturbations.

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.

In this study, we tackle the challenging fine-grained edge detection task, which refers to predicting specific edges caused by reflectance, illumination, normal, and depth changes, respectively. Prior methods exploit multi-scale convolutional networks, which are limited in three aspects: (1) Convolutions are local operators while identifying the cause of edge formation requires looking at far away pixels. (2) Priors specific to edge cause are fixed in prediction heads. (3) Using separate networks for generic and fine-grained edge detection, and the constraint between them may be violated. To address these three issues, we propose a two-stage transformer-based network sequentially predicting generic edges and fine-grained edges, which has a global receptive field thanks to the attention mechanism. The prior knowledge of edge causes is formulated as four learnable cause tokens in a cause-aware decoder design. Furthermore, to encourage the consistency between generic edges and fine-grained edges, an edge aggregation and alignment loss is exploited. We evaluate our method on the public benchmark BSDS-RIND and several newly derived benchmarks, and achieve new state-of-the-art results. Our code, data, and models are publicly available at https://github.com/Daniellli/ECT.git.

The existing definitions of graph convolution, either from spatial or spectral perspectives, are inflexible and not unified. Defining a general convolution operator in the graph domain is challenging due to the lack of canonical coordinates, the presence of irregular structures, and the properties of graph symmetries. In this work, we propose a novel and general graph convolution framework by parameterizing the kernels as continuous functions of pseudo-coordinates derived via graph positional encoding. We name this Continuous Kernel Graph Convolution (CKGConv). Theoretically, we demonstrate that CKGConv is flexible and expressive. CKGConv encompasses many existing graph convolutions, and exhibits a stronger expressiveness, as powerful as graph transformers in terms of distinguishing non-isomorphic graphs. Empirically, we show that CKGConv-based Networks outperform existing graph convolutional networks and perform comparably to the best graph transformers across a variety of graph datasets. The code and models are publicly available at https://github.com/networkslab/CKGConv.

True intelligence hinges on the ability to uncover and leverage hidden causal relations. Despite significant progress in AI and computer vision (CV), there remains a lack of benchmarks for assessing models' abilities to infer latent causality from complex visual data. In this paper, we introduce \textbf{Causal3D}, a novel and comprehensive benchmark that integrates structured data (tables) with corresponding visual representations (images) to evaluate causal reasoning. Designed within a systematic framework, Causal3D comprises 19 3D-scene datasets capturing diverse causal relations, views, and backgrounds, enabling evaluations across scenes of varying complexity. We assess multiple state-of-the-art methods, including classical causal discovery, causal representation learning, and large/vision-language models (LLMs/VLMs). Our experiments show that as causal structures grow more complex without prior knowledge, performance declines significantly, highlighting the challenges even advanced methods face in complex causal scenarios. Causal3D serves as a vital resource for advancing causal reasoning in CV and fostering trustworthy AI in critical domains.

Discovering causal structures with latent variables from observational data is a fundamental challenge in causal discovery. Existing methods often rely on constraint-based, iterative discrete searches, limiting their scalability to large numbers of variables. Moreover, these methods frequently assume linearity or invertibility, restricting their applicability to real-world scenarios. We present new theoretical results on the identifiability of nonlinear latent hierarchical causal models, relaxing previous assumptions in literature about the deterministic nature of latent variables and exogenous noise. Building on these insights, we develop a novel differentiable causal discovery algorithm that efficiently estimates the structure of such models. To the best of our knowledge, this is the first work to propose a differentiable causal discovery method for nonlinear latent hierarchical models. Our approach outperforms existing methods in both accuracy and scalability. We demonstrate its practical utility by learning interpretable hierarchical latent structures from high-dimensional image data and demonstrate its effectiveness on downstream tasks.

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation mechanism. In particular, when the data distribution shows a significant shift, most GNNs would fail to produce reliable predictions and may even make decisions randomly. One of the most promising solutions to improve the model generalization is to pick out causal invariant parts in the input graph. Nonetheless, we observe a significant distribution gap between the causal parts learned by existing methods and the ground truth, leading to undesirable performance. In response to the above issues, this paper presents GPro, a model that learns graph causal invariance with progressive inference. Specifically, the complicated graph causal invariant learning is decomposed into multiple intermediate inference steps from easy to hard, and the perception of GPro is continuously strengthened through a progressive inference process to extract causal features that are stable to distribution shifts. We also enlarge the training distribution by creating counterfactual samples to enhance the capability of the GPro in capturing the causal invariant parts. Extensive experiments demonstrate that our proposed GPro outperforms the state-of-the-art methods by 4.91% on average. For datasets with more severe distribution shifts, the performance improvement can be up to 6.86%.

Causal Representation Learning (CRL) aims to uncover the data-generating process and identify the underlying causal variables and relations, whose evaluation remains inherently challenging due to the requirement of known ground-truth causal variables and causal structure. Existing evaluations often rely on either simplistic synthetic datasets or downstream performance on real-world tasks, generally suffering a dilemma between realism and evaluative precision. In this paper, we introduce a new benchmark for CRL using high-fidelity simulated visual data that retains both realistic visual complexity and, more importantly, access to ground-truth causal generating processes. The dataset comprises around 200 thousand images and 3 million video frames across 24 sub-scenes in four domains: static image generation, dynamic physical simulations, robotic manipulations, and traffic situation analysis. These scenarios range from static to dynamic settings, simple to complex structures, and single to multi-agent interactions, offering a comprehensive testbed that hopefully bridges the gap between rigorous evaluation and real-world applicability. In addition, we provide flexible access to the underlying causal structures, allowing users to modify or configure them to align with the required assumptions in CRL, such as available domain labels, temporal dependencies, or intervention histories. Leveraging this benchmark, we evaluated representative CRL methods across diverse paradigms and offered empirical insights to assist practitioners and newcomers in choosing or extending appropriate CRL frameworks to properly address specific types of real problems that can benefit from the CRL perspective. Welcome to visit our: Project page:https://causal-verse.github.io/, Dataset:https://huggingface.co/CausalVerse.

Real-world tasks consist of multiple inter-dependent subtasks (e.g., a dirty pan needs to be washed before it can be used for cooking). In this work, we aim to model the causal dependencies between such subtasks from instructional videos describing the task. This is a challenging problem since complete information about the world is often inaccessible from videos, which demands robust learning mechanisms to understand the causal structure of events. We present Multimodal Subtask Graph Generation (MSG2), an approach that constructs a Subtask Graph defining the dependency between a task's subtasks relevant to a task from noisy web videos. Graphs generated by our multimodal approach are closer to human-annotated graphs compared to prior approaches. MSG2 further performs the downstream task of next subtask prediction 85% and 30% more accurately than recent video transformer models in the ProceL and CrossTask datasets, respectively.

Visual AutoRegressive modeling (VAR) has pioneered a coarse-to-fine multi-scale autoregressive generative paradigm, demonstrating strong capabilities in image generation. However, VAR still suffers from inherent deficiencies in multi-scale representation learning. Specifically, lower scales primarily capture global semantics, while higher scales focus on fine-grained details. Employing a shared architecture across scales induces optimization conflicts. Moreover, due to the causal autoregressive process, inaccurate semantics at early scales can propagate and significantly degrade the final output. To address these issues, we introduce a scale-aware token-routed Mixture of Experts (MoE) architecture, allowing scale-adaptive expert selection, thereby facilitating decoupled representation learning across scales. In addition, we enhance semantic modeling at early scales by incorporating external self-supervised features. Unlike naive alignment, we analyse and design a residual feature aggregation scheme tailored to the VAR paradigm. Extensive experiments show that our method significantly improves both training efficiency and generation quality. On the ImageNet 256*256 benchmark, our model achieves a superior FID compared to the dense baseline while requiring only half of the default training epochs and a smaller parameter budget, with a merely marginal increase in training cost. Moreover, the performance gap further widens with larger training epochs.

Graph convolutional networks (GCNs) are a powerful deep learning approach for graph-structured data. Recently, GCNs and subsequent variants have shown superior performance in various application areas on real-world datasets. Despite their success, most of the current GCN models are shallow, due to the {\em over-smoothing} problem. In this paper, we study the problem of designing and analyzing deep graph convolutional networks. We propose the GCNII, an extension of the vanilla GCN model with two simple yet effective techniques: {\em Initial residual} and {\em Identity mapping}. We provide theoretical and empirical evidence that the two techniques effectively relieves the problem of over-smoothing. Our experiments show that the deep GCNII model outperforms the state-of-the-art methods on various semi- and full-supervised tasks. Code is available at https://github.com/chennnM/GCNII .

Many interesting problems in machine learning are being revisited with new deep learning tools. For graph-based semisupervised learning, a recent important development is graph convolutional networks (GCNs), which nicely integrate local vertex features and graph topology in the convolutional layers. Although the GCN model compares favorably with other state-of-the-art methods, its mechanisms are not clear and it still requires a considerable amount of labeled data for validation and model selection. In this paper, we develop deeper insights into the GCN model and address its fundamental limits. First, we show that the graph convolution of the GCN model is actually a special form of Laplacian smoothing, which is the key reason why GCNs work, but it also brings potential concerns of over-smoothing with many convolutional layers. Second, to overcome the limits of the GCN model with shallow architectures, we propose both co-training and self-training approaches to train GCNs. Our approaches significantly improve GCNs in learning with very few labels, and exempt them from requiring additional labels for validation. Extensive experiments on benchmarks have verified our theory and proposals.

Causality -- referring to temporal, uni-directional cause-effect relationships between components -- underlies many complex generative processes, including videos, language, and robot trajectories. Current causal diffusion models entangle temporal reasoning with iterative denoising, applying causal attention across all layers, at every denoising step, and over the entire context. In this paper, we show that the causal reasoning in these models is separable from the multi-step denoising process. Through systematic probing of autoregressive video diffusers, we uncover two key regularities: (1) early layers produce highly similar features across denoising steps, indicating redundant computation along the diffusion trajectory; and (2) deeper layers exhibit sparse cross-frame attention and primarily perform intra-frame rendering. Motivated by these findings, we introduce Separable Causal Diffusion (SCD), a new architecture that explicitly decouples once-per-frame temporal reasoning, via a causal transformer encoder, from multi-step frame-wise rendering, via a lightweight diffusion decoder. Extensive experiments on both pretraining and post-training tasks across synthetic and real benchmarks show that SCD significantly improves throughput and per-frame latency while matching or surpassing the generation quality of strong causal diffusion baselines.

We introduce a new approach to functional causal modeling from observational data, called Causal Generative Neural Networks (CGNN). CGNN leverages the power of neural networks to learn a generative model of the joint distribution of the observed variables, by minimizing the Maximum Mean Discrepancy between generated and observed data. An approximate learning criterion is proposed to scale the computational cost of the approach to linear complexity in the number of observations. The performance of CGNN is studied throughout three experiments. Firstly, CGNN is applied to cause-effect inference, where the task is to identify the best causal hypothesis out of Xrightarrow Y and Yrightarrow X. Secondly, CGNN is applied to the problem of identifying v-structures and conditional independences. Thirdly, CGNN is applied to multivariate functional causal modeling: given a skeleton describing the direct dependences in a set of random variables X = [X_1, ldots, X_d], CGNN orients the edges in the skeleton to uncover the directed acyclic causal graph describing the causal structure of the random variables. On all three tasks, CGNN is extensively assessed on both artificial and real-world data, comparing favorably to the state-of-the-art. Finally, CGNN is extended to handle the case of confounders, where latent variables are involved in the overall causal model.

Causal graphs provide a high-level language for making mechanisms transparent. Recent work uses Large Language Models (LLMs) to recover causal graphs of external-world processes. Instead, in this paper, we use causal graphs to model LLM inference itself, providing stakeholders with a transparent view of how the model perceives and organizes high-level concepts to produce a prediction. We propose a four-phase method for constructing such graphs. Given a target LLM and a set of textual examples, our method discovers class-discriminative, human-interpretable concepts and maps each input to LLM-perceived concept states. We then introduce an MCMC-inspired counterfactual augmentation procedure that expands the sparse observational data through chains of counterfactuals. This enables stable causal discovery with σ-CG, yielding informative, interpretable graphs. We apply our method to three LLMs across disease diagnosis, sentiment analysis, and LLM-as-a-judge classification tasks. We evaluate the learned graphs for predictive fidelity and structural stability, and the MCMC-inspired augmentation for convergence and downstream utility. Our results show that the discovered causal graphs capture meaningful dependencies consistent with LLMs' reasoning. Together, this paper provides a foundation for concept-level explainability of LLMs.

Graph Convolutional Networks (GCNs) are powerful models for learning representations of attributed graphs. To scale GCNs to large graphs, state-of-the-art methods use various layer sampling techniques to alleviate the "neighbor explosion" problem during minibatch training. We propose GraphSAINT, a graph sampling based inductive learning method that improves training efficiency and accuracy in a fundamentally different way. By changing perspective, GraphSAINT constructs minibatches by sampling the training graph, rather than the nodes or edges across GCN layers. Each iteration, a complete GCN is built from the properly sampled subgraph. Thus, we ensure fixed number of well-connected nodes in all layers. We further propose normalization technique to eliminate bias, and sampling algorithms for variance reduction. Importantly, we can decouple the sampling from the forward and backward propagation, and extend GraphSAINT with many architecture variants (e.g., graph attention, jumping connection). GraphSAINT demonstrates superior performance in both accuracy and training time on five large graphs, and achieves new state-of-the-art F1 scores for PPI (0.995) and Reddit (0.970).

Image classification is a computer vision task where a model analyzes an image to categorize it into a specific label. Vision Transformers (ViT) improve this task by leveraging self-attention to capture complex patterns and long range relationships between image patches. However, a key challenge for ViTs is efficiently incorporating multiscale feature representations, which is inherent in CNNs through their hierarchical structure. In this paper, we introduce the Scale-Aware Graph Attention Vision Transformer (SAG-ViT), a novel framework that addresses this challenge by integrating multi-scale features. Using EfficientNet as a backbone, the model extracts multi-scale feature maps, which are divided into patches to preserve semantic information. These patches are organized into a graph based on spatial and feature similarities, with a Graph Attention Network (GAT) refining the node embeddings. Finally, a Transformer encoder captures long-range dependencies and complex interactions. The SAG-ViT is evaluated on benchmark datasets, demonstrating its effectiveness in enhancing image classification performance.

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it is fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information.

We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional architecture via a localized first-order approximation of spectral graph convolutions. Our model scales linearly in the number of graph edges and learns hidden layer representations that encode both local graph structure and features of nodes. In a number of experiments on citation networks and on a knowledge graph dataset we demonstrate that our approach outperforms related methods by a significant margin.

Most real-world graphs exhibit a hierarchical structure, which is often overlooked by existing graph generation methods. To address this limitation, we propose a novel graph generative network that captures the hierarchical nature of graphs and successively generates the graph sub-structures in a coarse-to-fine fashion. At each level of hierarchy, this model generates communities in parallel, followed by the prediction of cross-edges between communities using separate neural networks. This modular approach enables scalable graph generation for large and complex graphs. Moreover, we model the output distribution of edges in the hierarchical graph with a multinomial distribution and derive a recursive factorization for this distribution. This enables us to generate community graphs with integer-valued edge weights in an autoregressive manner. Empirical studies demonstrate the effectiveness and scalability of our proposed generative model, achieving state-of-the-art performance in terms of graph quality across various benchmark datasets. The code is available at https://github.com/Karami-m/HiGen_main.

Existing 3D scene generation methods often struggle to model the complex logical dependencies and physical constraints between objects, limiting their ability to adapt to dynamic and realistic environments. We propose CausalStruct, a novel framework that embeds causal reasoning into 3D scene generation. Utilizing large language models (LLMs), We construct causal graphs where nodes represent objects and attributes, while edges encode causal dependencies and physical constraints. CausalStruct iteratively refines the scene layout by enforcing causal order to determine the placement order of objects and applies causal intervention to adjust the spatial configuration according to physics-driven constraints, ensuring consistency with textual descriptions and real-world dynamics. The refined scene causal graph informs subsequent optimization steps, employing a Proportional-Integral-Derivative(PID) controller to iteratively tune object scales and positions. Our method uses text or images to guide object placement and layout in 3D scenes, with 3D Gaussian Splatting and Score Distillation Sampling improving shape accuracy and rendering stability. Extensive experiments show that CausalStruct generates 3D scenes with enhanced logical coherence, realistic spatial interactions, and robust adaptability.

Today's scene graph generation (SGG) task is still far from practical, mainly due to the severe training bias, e.g., collapsing diverse "human walk on / sit on / lay on beach" into "human on beach". Given such SGG, the down-stream tasks such as VQA can hardly infer better scene structures than merely a bag of objects. However, debiasing in SGG is not trivial because traditional debiasing methods cannot distinguish between the good and bad bias, e.g., good context prior (e.g., "person read book" rather than "eat") and bad long-tailed bias (e.g., "near" dominating "behind / in front of"). In this paper, we present a novel SGG framework based on causal inference but not the conventional likelihood. We first build a causal graph for SGG, and perform traditional biased training with the graph. Then, we propose to draw the counterfactual causality from the trained graph to infer the effect from the bad bias, which should be removed. In particular, we use Total Direct Effect (TDE) as the proposed final predicate score for unbiased SGG. Note that our framework is agnostic to any SGG model and thus can be widely applied in the community who seeks unbiased predictions. By using the proposed Scene Graph Diagnosis toolkit on the SGG benchmark Visual Genome and several prevailing models, we observed significant improvements over the previous state-of-the-art methods.

We propose a novel framework that leverages LLMs for full causal graph discovery. While previous LLM-based methods have used a pairwise query approach, this requires a quadratic number of queries which quickly becomes impractical for larger causal graphs. In contrast, the proposed framework uses a breadth-first search (BFS) approach which allows it to use only a linear number of queries. We also show that the proposed method can easily incorporate observational data when available, to improve performance. In addition to being more time and data-efficient, the proposed framework achieves state-of-the-art results on real-world causal graphs of varying sizes. The results demonstrate the effectiveness and efficiency of the proposed method in discovering causal relationships, showcasing its potential for broad applicability in causal graph discovery tasks across different domains.

Multivariate time series is prevalent in many scientific and industrial domains. Modeling multivariate signals is challenging due to their long-range temporal dependencies and intricate interactions--both direct and indirect. To confront these complexities, we introduce a method of representing multivariate signals as nodes in a graph with edges indicating interdependency between them. Specifically, we leverage graph neural networks (GNN) and attention mechanisms to efficiently learn the underlying relationships within the time series data. Moreover, we suggest employing hierarchical signal decompositions running over the graphs to capture multiple spatial dependencies. The effectiveness of our proposed model is evaluated across various real-world benchmark datasets designed for long-term forecasting tasks. The results consistently showcase the superiority of our model, achieving an average 23\% reduction in mean squared error (MSE) compared to existing models.

Accurately predicting stock market movements remains a formidable challenge due to the inherent volatility and complex interdependencies among stocks. Although multi-scale Graph Neural Networks (GNNs) hold potential for modeling these relationships, they frequently neglect two key points: the subtle intra-attribute patterns within each stock affecting inter-stock correlation, and the biased attention to coarse- and fine-grained features during multi-scale sampling. To overcome these challenges, we introduce MS-HGFN (Multi-Scale Hierarchical Graph Fusion Network). The model features a hierarchical GNN module that forms dynamic graphs by learning patterns from intra-attributes and features from inter-attributes over different time scales, thus comprehensively capturing spatio-temporal dependencies. Additionally, a top-down gating approach facilitates the integration of multi-scale spatio-temporal features, preserving critical coarse- and fine-grained features without too much interference. Experiments utilizing real-world datasets from U.S. and Chinese stock markets demonstrate that MS-HGFN outperforms both traditional and advanced models, yielding up to a 1.4% improvement in prediction accuracy and enhanced stability in return simulations. The code is available at https://anonymous.4open.science/r/MS-HGFN.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

Multi-scale learning is central to semantic segmentation. We visualize the effective receptive field (ERF) of canonical multi-scale representations and point out two risks in learning them: scale inadequacy and field inactivation. A novel multi-scale learner, varying window attention (VWA), is presented to address these issues. VWA leverages the local window attention (LWA) and disentangles LWA into the query window and context window, allowing the context's scale to vary for the query to learn representations at multiple scales. However, varying the context to large-scale windows (enlarging ratio R) can significantly increase the memory footprint and computation cost (R^2 times larger than LWA). We propose a simple but professional re-scaling strategy to zero the extra induced cost without compromising performance. Consequently, VWA uses the same cost as LWA to overcome the receptive limitation of the local window. Furthermore, depending on VWA and employing various MLPs, we introduce a multi-scale decoder (MSD), VWFormer, to improve multi-scale representations for semantic segmentation. VWFormer achieves efficiency competitive with the most compute-friendly MSDs, like FPN and MLP decoder, but performs much better than any MSDs. For instance, using nearly half of UPerNet's computation, VWFormer outperforms it by 1.0%-2.5% mIoU on ADE20K. With little extra overhead, ~10G FLOPs, Mask2Former armed with VWFormer improves by 1.0%-1.3%. The code and models are available at https://github.com/yan-hao-tian/vw

In this work, we are interested in generalizing convolutional neural networks (CNNs) from low-dimensional regular grids, where image, video and speech are represented, to high-dimensional irregular domains, such as social networks, brain connectomes or words' embedding, represented by graphs. We present a formulation of CNNs in the context of spectral graph theory, which provides the necessary mathematical background and efficient numerical schemes to design fast localized convolutional filters on graphs. Importantly, the proposed technique offers the same linear computational complexity and constant learning complexity as classical CNNs, while being universal to any graph structure. Experiments on MNIST and 20NEWS demonstrate the ability of this novel deep learning system to learn local, stationary, and compositional features on graphs.

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive generative capabilities that have been used to correct corruptions in images, and the similarities between "in-painting" and filling in missing nodes and edges conditioned on the observed graph, we propose a novel graph generative framework, SGDM, which is based on subgraph diffusion. Our framework not only improves the scalability and fidelity of graph diffusion models, but also leverages the reverse process to perform novel, conditional generation tasks. In particular, through extensive empirical analysis and a set of novel metrics, we demonstrate that our proposed model effectively supports the following refinement tasks for partially observable networks: T1: denoising extraneous subgraphs, T2: expanding existing subgraphs and T3: performing "style" transfer by regenerating a particular subgraph to match the characteristics of a different node or subgraph.

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

Deep neural networks have significantly improved the performance of low-level vision tasks but also increased the difficulty of interpretability. A deep understanding of deep models is beneficial for both network design and practical reliability. To take up this challenge, we introduce causality theory to interpret low-level vision models and propose a model-/task-agnostic method called Causal Effect Map (CEM). With CEM, we can visualize and quantify the input-output relationships on either positive or negative effects. After analyzing various low-level vision tasks with CEM, we have reached several interesting insights, such as: (1) Using more information of input images (e.g., larger receptive field) does NOT always yield positive outcomes. (2) Attempting to incorporate mechanisms with a global receptive field (e.g., channel attention) into image denoising may prove futile. (3) Integrating multiple tasks to train a general model could encourage the network to prioritize local information over global context. Based on the causal effect theory, the proposed diagnostic tool can refresh our common knowledge and bring a deeper understanding of low-level vision models. Codes are available at https://github.com/J-FHu/CEM.

Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly suitable for node classification and link prediction, their application to graph classification (predicting a single label for the entire graph) remains mostly rudimentary, typically using a single global pooling step to aggregate node features or a hand-designed, fixed heuristic for hierarchical coarsening of the graph structure. An important step towards ameliorating this is differentiable graph coarsening---the ability to reduce the size of the graph in an adaptive, data-dependent manner within a graph neural network pipeline, analogous to image downsampling within CNNs. However, the previous prominent approach to pooling has quadratic memory requirements during training and is therefore not scalable to large graphs. Here we combine several recent advances in graph neural network design to demonstrate that competitive hierarchical graph classification results are possible without sacrificing sparsity. Our results are verified on several established graph classification benchmarks, and highlight an important direction for future research in graph-based neural networks.

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

Learning causal graphs from multivariate time series is a ubiquitous challenge in all application domains dealing with time-dependent systems, such as in Earth sciences, biology, or engineering, to name a few. Recent developments for this causal discovery learning task have shown considerable skill, notably the specific time-series adaptations of the popular conditional independence-based learning framework. However, uncertainty estimation is challenging for conditional independence-based methods. Here, we introduce a novel bootstrap approach designed for time series causal discovery that preserves the temporal dependencies and lag structure. It can be combined with a range of time series causal discovery methods and provides a measure of confidence for the links of the time series graphs. Furthermore, next to confidence estimation, an aggregation, also called bagging, of the bootstrapped graphs by majority voting results in bagged causal discovery methods. In this work, we combine this approach with the state-of-the-art conditional-independence-based algorithm PCMCI+. With extensive numerical experiments we empirically demonstrate that, in addition to providing confidence measures for links, Bagged-PCMCI+ improves in precision and recall as compared to its base algorithm PCMCI+, at the cost of higher computational demands. These statistical performance improvements are especially pronounced in the more challenging settings (short time sample size, large number of variables, high autocorrelation). Our bootstrap approach can also be combined with other time series causal discovery algorithms and can be of considerable use in many real-world applications.

Text-to-Image Diffusion Models such as Stable-Diffusion and Imagen have achieved unprecedented quality of photorealism with state-of-the-art FID scores on MS-COCO and other generation benchmarks. Given a caption, image generation requires fine-grained knowledge about attributes such as object structure, style, and viewpoint amongst others. Where does this information reside in text-to-image generative models? In our paper, we tackle this question and understand how knowledge corresponding to distinct visual attributes is stored in large-scale text-to-image diffusion models. We adapt Causal Mediation Analysis for text-to-image models and trace knowledge about distinct visual attributes to various (causal) components in the (i) UNet and (ii) text-encoder of the diffusion model. In particular, we show that unlike generative large-language models, knowledge about different attributes is not localized in isolated components, but is instead distributed amongst a set of components in the conditional UNet. These sets of components are often distinct for different visual attributes. Remarkably, we find that the CLIP text-encoder in public text-to-image models such as Stable-Diffusion contains only one causal state across different visual attributes, and this is the first self-attention layer corresponding to the last subject token of the attribute in the caption. This is in stark contrast to the causal states in other language models which are often the mid-MLP layers. Based on this observation of only one causal state in the text-encoder, we introduce a fast, data-free model editing method Diff-QuickFix which can effectively edit concepts in text-to-image models. DiffQuickFix can edit (ablate) concepts in under a second with a closed-form update, providing a significant 1000x speedup and comparable editing performance to existing fine-tuning based editing methods.

Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches, and as a result, may inherit unnecessary complexity and redundant computation. In this paper, we reduce this excess complexity through successively removing nonlinearities and collapsing weight matrices between consecutive layers. We theoretically analyze the resulting linear model and show that it corresponds to a fixed low-pass filter followed by a linear classifier. Notably, our experimental evaluation demonstrates that these simplifications do not negatively impact accuracy in many downstream applications. Moreover, the resulting model scales to larger datasets, is naturally interpretable, and yields up to two orders of magnitude speedup over FastGCN.

Despite their theoretical advantages, spectral methods based on the graph Fourier transform (GFT) are seldom used in graph neural networks (GNNs) due to the cost of computing the eigenbasis and the lack of vertex-domain locality in the resulting representations. As a result, most GNNs rely on local approximations such as polynomial Laplacian filters or message passing, which limit their ability to model long-range dependencies. In this paper, we introduce an exact factorization of the GFT into operators acting on subgraphs, which are then combined via a sequence of Cauchy matrices. Building on this factorization, we propose a new class of spectral GNNs, termed L2G-Net (Local to Global Net). Unlike existing spectral methods, which are either fully global (when using the GFT) or local (when using polynomial filters), L2G-Net operates by processing the spectral representations of subgraphs and then combining them via structured matrices. Our algorithm avoids full eigendecompositions, exploiting graph topology to construct the factorization with quadratic complexity in the number of nodes, scaled by the maximum cut size between subgraphs. Experiments stressing long-range dependencies on large graphs show that L2G-Net scales to regimes out of reach for the standard GFT, and is competitive with state-of-the-art methods with orders of magnitude fewer learnable parameters.

In this study, we present a technique that spans multi-scale views (global scale -- meaning brain network-level and local scale -- examining each individual ROI that constitutes the network) applied to resting-state fMRI volumes. Deep learning based classification is utilized in understanding neurodegeneration. The novelty of the proposed approach lies in utilizing two extreme scales of analysis. One branch considers the entire network within graph-analysis framework. Concurrently, the second branch scrutinizes each ROI within a network independently, focusing on evolution of dynamics. For each subject, graph-based approach employs partial correlation to profile the subject in a single graph where each ROI is a node, providing insights into differences in levels of participation. In contrast, non-linear analysis employs recurrence plots to profile a subject as a multichannel 2D image, revealing distinctions in underlying dynamics. The proposed approach is employed for classification of a cohort of 50 healthy control (HC) and 50 Mild Cognitive Impairment (MCI), sourced from ADNI dataset. Results point to: (1) reduced activity in ROIs such as PCC in MCI (2) greater activity in occipital in MCI, which is not seen in HC (3) when analysed for dynamics, all ROIs in MCI show greater predictability in time-series.

We introduce Arrow, a foundation model for zero-shot causal discovery on observational tabular data. Arrow factorizes a directed acyclic graph into an undirected skeleton and a topological order, guaranteeing acyclicity by construction. Given a new dataset, it uses a transformer-based architecture to contextualize variables within and across observations, then predicts skeleton edge probabilities and node order scores that together define a graph. Arrow is trained in a supervised fashion on synthetic datasets with ground-truth graphs, using an end-to-end differentiable directed edge composite likelihood induced by the skeleton-order factorization. The training distribution spans diverse graph families, functional forms, noise models, and dataset shapes. Across in- and out-of-distribution synthetic, semi-synthetic, and real datasets, Arrow matches or outperforms existing causal discovery methods at substantially lower inference cost than competitive alternatives. Our results demonstrate that large-scale pretraining on diverse synthetic data can yield zero-shot causal discovery models that are fast, accurate, and reusable on new datasets.

In disentangled representation learning, the goal is to achieve a compact representation that consists of all interpretable generative factors in the observational data. Learning disentangled representations for graphs becomes increasingly important as graph data rapidly grows. Existing approaches often rely on Variational Auto-Encoder (VAE) or its causal structure learning-based refinement, which suffer from sub-optimality in VAEs due to the independence factor assumption and unavailability of concept labels, respectively. In this paper, we propose an unsupervised solution, dubbed concept-free causal disentanglement, built on a theoretically provable tight upper bound approximating the optimal factor. This results in an SCM-like causal structure modeling that directly learns concept structures from data. Based on this idea, we propose Concept-free Causal VGAE (CCVGAE) by incorporating a novel causal disentanglement layer into Variational Graph Auto-Encoder. Furthermore, we prove concept consistency under our concept-free causal disentanglement framework, hence employing it to enhance the meta-learning framework, called concept-free causal Meta-Graph (CC-Meta-Graph). We conduct extensive experiments to demonstrate the superiority of the proposed models: CCVGAE and CC-Meta-Graph, reaching up to 29% and 11% absolute improvements over baselines in terms of AUC, respectively.

In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and capturing both global and local graph structures simultaneously. To overcome these issues, we introduce a method that generates a graph by progressively expanding a single node to a target graph. In each step, nodes and edges are added in a localized manner through denoising diffusion, building first the global structure, and then refining the local details. The local generation avoids modeling the entire joint distribution over all node pairs, achieving substantial computational savings with subquadratic runtime relative to node count while maintaining high expressivity through multiscale generation. Our experiments show that our model achieves state-of-the-art performance on well-established benchmark datasets while successfully scaling to graphs with at least 5000 nodes. Our method is also the first to successfully extrapolate to graphs outside of the training distribution, showcasing a much better generalization capability over existing methods.

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are typically adapted from image generation frameworks and overlook inherent higher-order topology, limiting their ability to capture graph topology. In this work, we propose Higher-order Guided Diffusion (HOG-Diff), a principled framework that progressively generates plausible graphs with inherent topological structures. HOG-Diff follows a coarse-to-fine generation curriculum, guided by higher-order topology and implemented via diffusion bridges. We further prove that our model admits stronger theoretical guarantees than classical diffusion frameworks. Extensive experiments across eight graph generation benchmarks, spanning diverse domains and including large-scale settings, demonstrate the scalability of our method and its superior performance on both pairwise and higher-order topological metrics. Our project page is available https://circle-group.github.io/research/hog-diff/{here}.

Despite the widespread adoption of transformers in medical applications, the exploration of multi-scale learning through transformers remains limited, while hierarchical representations are considered advantageous for computer-aided medical diagnosis. We propose a novel hierarchical transformer model that adeptly integrates the feature extraction capabilities of Convolutional Neural Networks (CNNs) with the advanced representational potential of Vision Transformers (ViTs). Addressing the lack of inductive biases and dependence on extensive training datasets in ViTs, our model employs a CNN backbone to generate hierarchical visual representations. These representations are adapted for transformer input through an innovative patch tokenization process, preserving the inherited multi-scale inductive biases. We also introduce a scale-wise attention mechanism that directly captures intra-scale and inter-scale associations. This mechanism complements patch-wise attention by enhancing spatial understanding and preserving global perception, which we refer to as local and global attention, respectively. Our model significantly outperforms baseline models in terms of classification accuracy, demonstrating its efficiency in bridging the gap between Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). The components are designed as plug-and-play for different CNN architectures and can be adapted for multiple applications. The code is available at https://github.com/xiaoyatang/DuoFormer.git.

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

With the growing volume of CT examinations, there is an increasing demand for automated tools such as organ segmentation, abnormality detection, and report generation to support radiologists in managing their clinical workload. Multi-label classification of 3D Chest CT scans remains a critical yet challenging problem due to the complex spatial relationships inherent in volumetric data and the wide variability of abnormalities. Existing methods based on 3D convolutional neural networks struggle to capture long-range dependencies, while Vision Transformers often require extensive pre-training on large-scale, domain-specific datasets to perform competitively. In this work of academic research, we propose a 2.5D alternative by introducing a new graph-based framework that represents 3D CT volumes as structured graphs, where axial slice triplets serve as nodes processed through spectral graph convolution, enabling the model to reason over inter-slice dependencies while maintaining complexity compatible with clinical deployment. Our method, trained and evaluated on 3 datasets from independent institutions, achieves strong cross-dataset generalization, and shows competitive performance compared to state-of-the-art visual encoders. We further conduct comprehensive ablation studies to evaluate the impact of various aggregation strategies, edge-weighting schemes, and graph connectivity patterns. Additionally, we demonstrate the broader applicability of our approach through transfer experiments on automated radiology report generation and abdominal CT data.

Sparse autoencoders can localize where concepts live in language models, but not how they interact during multi-step reasoning. We propose Causal Concept Graphs (CCG): a directed acyclic graph over sparse, interpretable latent features, where edges capture learned causal dependencies between concepts. We combine task-conditioned sparse autoencoders for concept discovery with DAGMA-style differentiable structure learning for graph recovery and introduce the Causal Fidelity Score (CFS) to evaluate whether graph-guided interventions induce larger downstream effects than random ones. On ARC-Challenge, StrategyQA, and LogiQA with GPT-2 Medium, across five seeds (n{=}15 paired runs), CCG achieves CFS=5.654pm0.625, outperforming ROME-style tracing (3.382pm0.233), SAE-only ranking (2.479pm0.196), and a random baseline (1.032pm0.034), with p<0.0001 after Bonferroni correction. Learned graphs are sparse (5-6\% edge density), domain-specific, and stable across seeds.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Prior image-text matching methods have shown remarkable performance on many benchmark datasets, but most of them overlook the bias in the dataset, which exists in intra-modal and inter-modal, and tend to learn the spurious correlations that extremely degrade the generalization ability of the model. Furthermore, these methods often incorporate biased external knowledge from large-scale datasets as prior knowledge into image-text matching model, which is inevitable to force model further learn biased associations. To address above limitations, this paper firstly utilizes Structural Causal Models (SCMs) to illustrate how intra- and inter-modal confounders damage the image-text matching. Then, we employ backdoor adjustment to propose an innovative Deconfounded Causal Inference Network (DCIN) for image-text matching task. DCIN (1) decomposes the intra- and inter-modal confounders and incorporates them into the encoding stage of visual and textual features, effectively eliminating the spurious correlations during image-text matching, and (2) uses causal inference to mitigate biases of external knowledge. Consequently, the model can learn causality instead of spurious correlations caused by dataset bias. Extensive experiments on two well-known benchmark datasets, i.e., Flickr30K and MSCOCO, demonstrate the superiority of our proposed method.

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is computationally challenging in large-scale systems. The identified causal set consists of all potential regulators of the target variable under experimental settings, enabling efficient regulation when intervention costs and feasibility vary across variables. To achieve this, we train a neural network using supervised learning on simulated data to infer causality. By employing a local-inference strategy, our approach scales with linear complexity in the number of variables, efficiently scaling up to thousands of variables. Empirical results demonstrate superior performance in identifying causal relationships within large-scale gene regulatory networks, outperforming existing methods that emphasize full-graph discovery. We validate our model's generalization capability across out-of-distribution graph structures and generating mechanisms, including gene regulatory networks of E. coli and the human K562 cell line. Implementation codes are available at https://github.com/snu-mllab/Targeted-Cause-Discovery.

Diffusion models (DMs) have achieved remarkable success in image and video generation. However, they still struggle with (1) physical alignment and (2) out-of-distribution (OOD) instruction following. We argue that these issues stem from the models' failure to learn causal directions and to disentangle causal factors for novel recombination. We introduce the Causal Scene Graph (CSG) and the Physical Alignment Probe (PAP) dataset to enable diagnostic interventions. This analysis yields three key insights. First, DMs struggle with multi-hop reasoning for elements not explicitly determined in the prompt. Second, the prompt embedding contains disentangled representations for texture and physics. Third, visual causal structure is disproportionately established during the initial, computationally limited denoising steps. Based on these findings, we introduce LINA (Learning INterventions Adaptively), a novel framework that learns to predict prompt-specific interventions, which employs (1) targeted guidance in the prompt and visual latent spaces, and (2) a reallocated, causality-aware denoising schedule. Our approach enforces both physical alignment and OOD instruction following in image and video DMs, achieving state-of-the-art performance on challenging causal generation tasks and the Winoground dataset. Our project page is at https://opencausalab.github.io/LINA.

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges, which exceeds the capability of existing embedding systems. We present PyTorch-BigGraph (PBG), an embedding system that incorporates several modifications to traditional multi-relation embedding systems that allow it to scale to graphs with billions of nodes and trillions of edges. PBG uses graph partitioning to train arbitrarily large embeddings on either a single machine or in a distributed environment. We demonstrate comparable performance with existing embedding systems on common benchmarks, while allowing for scaling to arbitrarily large graphs and parallelization on multiple machines. We train and evaluate embeddings on several large social network graphs as well as the full Freebase dataset, which contains over 100 million nodes and 2 billion edges.

We present network embedding algorithms that capture information about a node from the local distribution over node attributes around it, as observed over random walks following an approach similar to Skip-gram. Observations from neighborhoods of different sizes are either pooled (AE) or encoded distinctly in a multi-scale approach (MUSAE). Capturing attribute-neighborhood relationships over multiple scales is useful for a diverse range of applications, including latent feature identification across disconnected networks with similar attributes. We prove theoretically that matrices of node-feature pointwise mutual information are implicitly factorized by the embeddings. Experiments show that our algorithms are robust, computationally efficient and outperform comparable models on social networks and web graphs.

We present a general causal generative modelling framework for accurate estimation of high fidelity image counterfactuals with deep structural causal models. Estimation of interventional and counterfactual queries for high-dimensional structured variables, such as images, remains a challenging task. We leverage ideas from causal mediation analysis and advances in generative modelling to design new deep causal mechanisms for structured variables in causal models. Our experiments demonstrate that our proposed mechanisms are capable of accurate abduction and estimation of direct, indirect and total effects as measured by axiomatic soundness of counterfactuals.

We introduce Causal Diffusion as the autoregressive (AR) counterpart of Diffusion models. It is a next-token(s) forecasting framework that is friendly to both discrete and continuous modalities and compatible with existing next-token prediction models like LLaMA and GPT. While recent works attempt to combine diffusion with AR models, we show that introducing sequential factorization to a diffusion model can substantially improve its performance and enables a smooth transition between AR and diffusion generation modes. Hence, we propose CausalFusion - a decoder-only transformer that dual-factorizes data across sequential tokens and diffusion noise levels, leading to state-of-the-art results on the ImageNet generation benchmark while also enjoying the AR advantage of generating an arbitrary number of tokens for in-context reasoning. We further demonstrate CausalFusion's multimodal capabilities through a joint image generation and captioning model, and showcase CausalFusion's ability for zero-shot in-context image manipulations. We hope that this work could provide the community with a fresh perspective on training multimodal models over discrete and continuous data.

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Existing foundation models, such as CLIP, aim to learn a unified embedding space for multimodal data, enabling a wide range of downstream web-based applications like search, recommendation, and content classification. However, these models often overlook the inherent graph structures in multimodal datasets, where entities and their relationships are crucial. Multimodal graphs (MMGs) represent such graphs where each node is associated with features from different modalities, while the edges capture the relationships between these entities. On the other hand, existing graph foundation models primarily focus on text-attributed graphs (TAGs) and are not designed to handle the complexities of MMGs. To address these limitations, we propose UniGraph2, a novel cross-domain graph foundation model that enables general representation learning on MMGs, providing a unified embedding space. UniGraph2 employs modality-specific encoders alongside a graph neural network (GNN) to learn a unified low-dimensional embedding space that captures both the multimodal information and the underlying graph structure. We propose a new cross-domain multi-graph pre-training algorithm at scale to ensure effective transfer learning across diverse graph domains and modalities. Additionally, we adopt a Mixture of Experts (MoE) component to align features from different domains and modalities, ensuring coherent and robust embeddings that unify the information across modalities. Extensive experiments on a variety of multimodal graph tasks demonstrate that UniGraph2 significantly outperforms state-of-the-art models in tasks such as representation learning, transfer learning, and multimodal generative tasks, offering a scalable and flexible solution for learning on MMGs.

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond just a few layers, two fundamental challenges emerge: 1. degraded expressivity due to oversmoothing, and 2. expensive computation due to neighborhood explosion. We propose a design principle to decouple the depth and scope of GNNs -- to generate representation of a target entity (i.e., a node or an edge), we first extract a localized subgraph as the bounded-size scope, and then apply a GNN of arbitrary depth on top of the subgraph. A properly extracted subgraph consists of a small number of critical neighbors, while excluding irrelevant ones. The GNN, no matter how deep it is, smooths the local neighborhood into informative representation rather than oversmoothing the global graph into "white noise". Theoretically, decoupling improves the GNN expressive power from the perspectives of graph signal processing (GCN), function approximation (GraphSAGE) and topological learning (GIN). Empirically, on seven graphs (with up to 110M nodes) and six backbone GNN architectures, our design achieves significant accuracy improvement with orders of magnitude reduction in computation and hardware cost.

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

Existing approaches to the crime prediction problem are unsuccessful in expressing the details since they assign the probability values to large regions. This paper introduces a new architecture with the graph convolutional networks (GCN) and multivariate Gaussian distributions to perform high-resolution forecasting that applies to any spatiotemporal data. We tackle the sparsity problem in high resolution by leveraging the flexible structure of GCNs and providing a subdivision algorithm. We build our model with Graph Convolutional Gated Recurrent Units (Graph-ConvGRU) to learn spatial, temporal, and categorical relations. In each node of the graph, we learn a multivariate probability distribution from the extracted features of GCNs. We perform experiments on real-life and synthetic datasets, and our model obtains the best validation and the best test score among the baseline models with significant improvements. We show that our model is not only generative but also precise.

We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have shown impressive performance in tasks such as recognition and visual question answering (VQA). Despite increasing interest in the utility of LLMs in causal reasoning tasks such as causal discovery and counterfactual reasoning, there has been relatively little work showcasing the abilities of LVLMs on visual causal reasoning tasks. We take this opportunity to formally introduce a comprehensive causal reasoning benchmark for multi-modal in-context learning from LVLMs. Our CausalVLBench encompasses three representative tasks: causal structure inference, intervention target prediction, and counterfactual prediction. We evaluate the ability of state-of-the-art open-source LVLMs on our causal reasoning tasks across three causal representation learning datasets and demonstrate their fundamental strengths and weaknesses. We hope that our benchmark elucidates the drawbacks of existing vision-language models and motivates new directions and paradigms in improving the visual causal reasoning abilities of LVLMs.

Large-scale models pre-trained on large-scale datasets have profoundly advanced the development of deep learning. However, the state-of-the-art models for medical image segmentation are still small-scale, with their parameters only in the tens of millions. Further scaling them up to higher orders of magnitude is rarely explored. An overarching goal of exploring large-scale models is to train them on large-scale medical segmentation datasets for better transfer capacities. In this work, we design a series of Scalable and Transferable U-Net (STU-Net) models, with parameter sizes ranging from 14 million to 1.4 billion. Notably, the 1.4B STU-Net is the largest medical image segmentation model to date. Our STU-Net is based on nnU-Net framework due to its popularity and impressive performance. We first refine the default convolutional blocks in nnU-Net to make them scalable. Then, we empirically evaluate different scaling combinations of network depth and width, discovering that it is optimal to scale model depth and width together. We train our scalable STU-Net models on a large-scale TotalSegmentator dataset and find that increasing model size brings a stronger performance gain. This observation reveals that a large model is promising in medical image segmentation. Furthermore, we evaluate the transferability of our model on 14 downstream datasets for direct inference and 3 datasets for further fine-tuning, covering various modalities and segmentation targets. We observe good performance of our pre-trained model in both direct inference and fine-tuning. The code and pre-trained models are available at https://github.com/Ziyan-Huang/STU-Net.

As the class size grows, maintaining a balanced dataset across many classes is challenging because the data are long-tailed in nature; it is even impossible when the sample-of-interest co-exists with each other in one collectable unit, e.g., multiple visual instances in one image. Therefore, long-tailed classification is the key to deep learning at scale. However, existing methods are mainly based on re-weighting/re-sampling heuristics that lack a fundamental theory. In this paper, we establish a causal inference framework, which not only unravels the whys of previous methods, but also derives a new principled solution. Specifically, our theory shows that the SGD momentum is essentially a confounder in long-tailed classification. On one hand, it has a harmful causal effect that misleads the tail prediction biased towards the head. On the other hand, its induced mediation also benefits the representation learning and head prediction. Our framework elegantly disentangles the paradoxical effects of the momentum, by pursuing the direct causal effect caused by an input sample. In particular, we use causal intervention in training, and counterfactual reasoning in inference, to remove the "bad" while keep the "good". We achieve new state-of-the-arts on three long-tailed visual recognition benchmarks: Long-tailed CIFAR-10/-100, ImageNet-LT for image classification and LVIS for instance segmentation.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.

Causal thinking enables humans to understand not just what is seen, but why it happens. To replicate this capability in modern AI systems, we introduce the task of visual causal discovery. It requires models to infer cause-and-effect relations among visual entities across diverse scenarios instead of merely perceiving their presence. To this end, we first construct the Visual Causal Graph dataset (VCG-32K), a large-scale collection of over 32,000 images annotated with entity-level causal graphs, and further develop CauSight, a novel vision-language model to perform visual causal discovery through causally aware reasoning. Our training recipe integrates three components: (1) training data curation from VCG-32K, (2) Tree-of-Causal-Thought (ToCT) for synthesizing reasoning trajectories, and (3) reinforcement learning with a designed causal reward to refine the reasoning policy. Experiments show that CauSight outperforms GPT-4.1 on visual causal discovery, achieving over a threefold performance boost (21% absolute gain). Our code, model, and dataset are fully open-sourced at project page: https://github.com/OpenCausaLab/CauSight.

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods -- Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx) -- in node-level OOD settings. Our analysis reveals a critical limitation: due to the lack of class-conditional invariance constraints, these methods may struggle to accurately identify the structure of the predictive invariant ego-graph and consequently rely on spurious features. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning cross-environment representations conditioned on the same class, bypassing the need for explicit knowledge of the causal pattern structure. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization. The codes are available at https://github.com/NOVAglow646/NeurIPS24-Invariant-Learning-on-Graphs.

Graph Convolutional Network (GCN) is widely used in graph data learning tasks such as recommendation. However, when facing a large graph, the graph convolution is very computationally expensive thus is simplified in all existing GCNs, yet is seriously impaired due to the oversimplification. To address this gap, we leverage the original graph convolution in GCN and propose a Low-pass Collaborative Filter (LCF) to make it applicable to the large graph. LCF is designed to remove the noise caused by exposure and quantization in the observed data, and it also reduces the complexity of graph convolution in an unscathed way. Experiments show that LCF improves the effectiveness and efficiency of graph convolution and our GCN outperforms existing GCNs significantly. Codes are available on https://github.com/Wenhui-Yu/LCFN.

Current multimodal models aim to transcend the limitations of single-modality representations by unifying understanding and generation, often using text-to-image (T2I) tasks to calibrate semantic consistency. However, their reliance on static, single-image generation in training and evaluation leads to overfitting to static pattern matching and semantic fusion, while fundamentally hindering their ability to model dynamic processes that unfold over time. To address these constraints, we propose Envision-a causal event progression benchmark for chained text-to-multi-image generation. Grounded in world knowledge and structured by spatiotemporal causality, it reorganizes existing evaluation dimensions and includes 1,000 four-stage prompts spanning six scientific and humanities domains. To transition evaluation from single images to sequential frames and assess whether models truly internalize world knowledge while adhering to causal-temporal constraints, we introduce Envision-Score, a holistic metric integrating multi-dimensional consistency, physicality, and aesthetics. Comprehensive evaluation of 15 models (10 specialized T2I models, 5 unified models) uncovers: specialized T2I models demonstrate proficiency in aesthetic rendering yet lack intrinsic world knowledge. Unified multimodal models bridge this gap, consistently outperforming specialized counterparts in causal narrative coherence. However, even these unified architectures remain subordinate to closed-source models and struggle to overcome the core challenge of spatiotemporal consistency. This demonstrates that a focus on causally-isolated single images impedes multi-frame reasoning and generation, promoting static pattern matching over dynamic world modeling-ultimately limiting world knowledge internalization, generation.

Virtual sensing techniques allow for inferring signals at new unmonitored locations by exploiting spatio-temporal measurements coming from physical sensors at different locations. However, as the sensor coverage becomes sparse due to costs or other constraints, physical proximity cannot be used to support interpolation. In this paper, we overcome this challenge by leveraging dependencies between the target variable and a set of correlated variables (covariates) that can frequently be associated with each location of interest. From this viewpoint, covariates provide partial observability, and the problem consists of inferring values for unobserved channels by exploiting observations at other locations to learn how such variables can correlate. We introduce a novel graph-based methodology to exploit such relationships and design a graph deep learning architecture, named GgNet, implementing the framework. The proposed approach relies on propagating information over a nested graph structure that is used to learn dependencies between variables as well as locations. GgNet is extensively evaluated under different virtual sensing scenarios, demonstrating higher reconstruction accuracy compared to the state-of-the-art.

Graph convolutional networks (GCNs) have emerged as a powerful tool for skeleton-based action and gesture recognition, thanks to their ability to model spatial and temporal dependencies in skeleton data. However, existing GCN-based methods face critical limitations: (1) they lack effective spatio-temporal topology modeling that captures dynamic variations in skeletal motion, and (2) they struggle to model multiscale structural relationships beyond local joint connectivity. To address these issues, we propose a novel framework called Dynamic Spatial-Temporal Semantic Awareness Graph Convolutional Network (DSTSA-GCN). DSTSA-GCN introduces three key modules: Group Channel-wise Graph Convolution (GC-GC), Group Temporal-wise Graph Convolution (GT-GC), and Multi-Scale Temporal Convolution (MS-TCN). GC-GC and GT-GC operate in parallel to independently model channel-specific and frame-specific correlations, enabling robust topology learning that accounts for temporal variations. Additionally, both modules employ a grouping strategy to adaptively capture multiscale structural relationships. Complementing this, MS-TCN enhances temporal modeling through group-wise temporal convolutions with diverse receptive fields. Extensive experiments demonstrate that DSTSA-GCN significantly improves the topology modeling capabilities of GCNs, achieving state-of-the-art performance on benchmark datasets for gesture and action recognition, including SHREC17 Track, DHG-14\/28, NTU-RGB+D, and NTU-RGB+D-120.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

Graph neural networks (GNNs) have gained significant attention in recent years for their ability to process data that may be represented as graphs. This has prompted several studies to explore their representational capability based on the graph isomorphism task. Notably, these works inherently assume a countable node feature representation, potentially limiting their applicability. Interestingly, only a few study GNNs with uncountable node feature representation. In the paper, a new perspective on the representational capability of GNNs is investigated across all levelsx2014node-level, neighborhood-level, and graph-levelx2014when the space of node feature representation is uncountable. Specifically, the injective and metric requirements of previous works are softly relaxed by employing a pseudometric distance on the space of input to create a soft-injective function such that distinct inputs may produce similar outputs if and only if the pseudometric deems the inputs to be sufficiently similar on some representation. As a consequence, a simple and computationally efficient soft-isomorphic relational graph convolution network (SIR-GCN) that emphasizes the contextualized transformation of neighborhood feature representations via anisotropic and dynamic message functions is proposed. Furthermore, a mathematical discussion on the relationship between SIR-GCN and key GNNs in literature is laid out to put the contribution into context, establishing SIR-GCN as a generalization of classical GNN methodologies. To close, experiments on synthetic and benchmark datasets demonstrate the relative superiority of SIR-GCN, outperforming comparable models in node and graph property prediction tasks.

Cascaded models are multi-scale generative models with a marked capacity for producing perceptually impressive samples at high resolutions. In this work, we show that they can also be excellent likelihood models, so long as we overcome a fundamental difficulty with probabilistic multi-scale models: the intractability of the likelihood function. Chiefly, in cascaded models each intermediary scale introduces extraneous variables that cannot be tractably marginalized out for likelihood evaluation. This issue vanishes by modeling the diffusion process on latent spaces induced by a class of transformations we call hierarchical volume-preserving maps, which decompose spatially structured data in a hierarchical fashion without introducing local distortions in the latent space. We demonstrate that two such maps are well-known in the literature for multiscale modeling: Laplacian pyramids and wavelet transforms. Not only do such reparameterizations allow the likelihood function to be directly expressed as a joint likelihood over the scales, we show that the Laplacian pyramid and wavelet transform also produces significant improvements to the state-of-the-art on a selection of benchmarks in likelihood modeling, including density estimation, lossless compression, and out-of-distribution detection. Investigating the theoretical basis of our empirical gains we uncover deep connections to score matching under the Earth Mover's Distance (EMD), which is a well-known surrogate for perceptual similarity. Code can be found at https://github.com/lihenryhfl/pcdm{this https url}.

For Image Super-Resolution (SR), it is common to train and evaluate scale-specific models composed of an encoder and upsampler for each targeted scale. Consequently, many SR studies encounter substantial training times and complex deployment requirements. In this paper, we address this limitation by training and evaluating multiple scales simultaneously. Notably, we observe that encoder features are similar across scales and that the Sub-Pixel Convolution (SPConv), widely-used scale-specific upsampler, exhibits strong inter-scale correlations in its functionality. Building on these insights, we propose a multi-scale framework that employs a single encoder in conjunction with Implicit Grid Convolution (IGConv), our novel upsampler, which unifies SPConv across all scales within a single module. Extensive experiments demonstrate that our framework achieves comparable performance to existing fixed-scale methods while reducing the training budget and stored parameters three-fold and maintaining the same latency. Additionally, we propose IGConv^{+} to improve performance further by addressing spectral bias and allowing input-dependent upsampling and ensembled prediction. As a result, ATD-IGConv^{+} achieves a notable 0.21dB improvement in PSNR on Urban100times4, while also reducing the training budget, stored parameters, and inference cost compared to the existing ATD.

In applications such as social, energy, transportation, sensor, and neuronal networks, high-dimensional data naturally reside on the vertices of weighted graphs. The emerging field of signal processing on graphs merges algebraic and spectral graph theoretic concepts with computational harmonic analysis to process such signals on graphs. In this tutorial overview, we outline the main challenges of the area, discuss different ways to define graph spectral domains, which are the analogues to the classical frequency domain, and highlight the importance of incorporating the irregular structures of graph data domains when processing signals on graphs. We then review methods to generalize fundamental operations such as filtering, translation, modulation, dilation, and downsampling to the graph setting, and survey the localized, multiscale transforms that have been proposed to efficiently extract information from high-dimensional data on graphs. We conclude with a brief discussion of open issues and possible extensions.

Graph convolutional neural networks have recently shown great potential for the task of zero-shot learning. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, multi-layer architectures, which are required to propagate knowledge to distant nodes in the graph, dilute the knowledge by performing extensive Laplacian smoothing at each layer and thereby consequently decrease performance. In order to still enjoy the benefit brought by the graph structure while preventing dilution of knowledge from distant nodes, we propose a Dense Graph Propagation (DGP) module with carefully designed direct links among distant nodes. DGP allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants. A weighting scheme is further used to weigh their contribution depending on the distance to the node to improve information propagation in the graph. Combined with finetuning of the representations in a two-stage training approach our method outperforms state-of-the-art zero-shot learning approaches.

Time series classification (TSC) performance depends not only on architectural design but also on the diversity of input representations. In this work, we propose a scalable multi-scale convolutional framework that systematically integrates structured multi-representation inputs for univariate time series. We introduce two architectures: MRMS-Net, a hierarchical multi-scale convolutional network optimized for robustness and calibration, and LMRMS-Net, a lightweight variant designed for efficiency-aware deployment. In addition, we adapt LiteMV -- originally developed for multivariate inputs -- to operate on multi-representation univariate signals, enabling cross-representation interaction. We evaluate all models across 142 benchmark datasets under a unified experimental protocol. Critical Difference (CD) analysis confirms statistically significant performance differences among the top models. Results show that LiteMV achieves the highest mean accuracy, MRMS-Net provides superior probabilistic calibration (lowest NLL), and LMRMS-Net offers the best efficiency-accuracy tradeoff. Pareto analysis further demonstrates that multi-representation multi-scale modeling yields a flexible design space that can be tuned for accuracy-oriented, calibration-oriented, or resource-constrained settings. These findings establish scalable multi-representation multi-scale learning as a principled and practical direction for modern TSC. Reference implementation of MRMS-Net and LMRMS-Net is available at: https://github.com/alagoz/mrmsnet-tsc

Although Multimodal Large Language Models (MLLMs) have shown remarkable potential in Visual Document Retrieval (VDR) through generating high-quality multi-vector embeddings, the substantial storage overhead caused by representing a page with thousands of visual tokens limits their practicality in real-world applications. To address this challenge, we propose an auto-regressive generation approach, CausalEmbed, for constructing multi-vector embeddings. By incorporating iterative margin loss during contrastive training, CausalEmbed encourages the embedding models to learn compact and well-structured representations. Our method enables efficient VDR tasks using only dozens of visual tokens, achieving a 30-155x reduction in token count while maintaining highly competitive performance across various backbones and benchmarks. Theoretical analysis and empirical results demonstrate the unique advantages of auto-regressive embedding generation in terms of training efficiency and scalability at test time. As a result, CausalEmbed introduces a flexible test-time scaling strategy for multi-vector VDR representations and sheds light on the generative paradigm within multimodal document retrieval.

Large-scale video generation models are increasingly viewed as a promising path toward world models, yet their ability to capture causally coherent physical dynamics remains poorly understood. Existing evaluations largely emphasize visual quality, prompt adherence, or broad physical plausibility, leaving open whether a model can faithfully realize a complete causal cascade, in which an initiating event propagates through causally dependent interactions to a terminal outcome. We introduce CausalCascade, a simulator-grounded benchmark centered on 50 event-rich Blender scenes with structured event graphs, graph-grounded diagnostic VQA, three levels of future-event specification, and 2,832 controlled counterfactual variants, and use it to evaluate nine image-to-video models with complementary motion-, event-, and counterfactual-level diagnostics. Across the evaluated models, generated motion is more reliably localized spatially than realized with correct spatiotemporal evolution, while richer future-event specification improves event recovery but leaves physical realization limited. Counterfactual evaluation further reveals weak selective responsiveness to physical interventions, while most audited failures are foundational, arising at scene consistency or event occurrence. Together, these results position causal cascade generation as a process-level test of world modeling and highlight the need to jointly recover the intended future, faithfully realize its physical evolution, selectively respond to physical interventions, and maintain a coherent physical world over time. Code and dataset are available at https://github.com/SJTU-DeepDeltaLab/CausalCascade .

Histopathologic diagnosis relies on simultaneous integration of information from a broad range of scales, ranging from nuclear aberrations (approx O(0.1{μm})) through cellular structures (approx O(10{μm})) to the global tissue architecture (gtrapprox O(1{mm})). To explicitly mimic how human pathologists combine multi-scale information, we introduce a family of multi-encoder FCNs with deep fusion. We present a simple block for merging model paths with differing spatial scales in a spatial relationship-preserving fashion, which can readily be included in standard encoder-decoder networks. Additionally, a context classification gate block is proposed as an alternative for the incorporation of global context. Our experiments were performed on three publicly available whole-slide images of recent challenges (PAIP 2019, BACH 2020, CAMELYON 2016). The multi-scale architectures consistently outperformed the baseline single-scale U-Nets by a large margin. They benefit from local as well as global context and particularly a combination of both. If feature maps from different scales are fused, doing so in a manner preserving spatial relationships was found to be beneficial. Deep guidance by a context classification loss appeared to improve model training at low computational costs. All multi-scale models had a reduced GPU memory footprint compared to ensembles of individual U-Nets trained on different image scales. Additional path fusions were shown to be possible at low computational cost, opening up possibilities for further, systematic and task-specific architecture optimization. The findings demonstrate the potential of the presented family of human-inspired, end-to-end trainable, multi-scale multi-encoder FCNs to improve deep histopathologic diagnosis by extensive integration of largely different spatial scales.

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph structure. These methods typically fix the choice of node degree for the entire graph, which is suboptimal. Instead, we propose a novel end-to-end differentiable graph generator which builds graph topologies where each node selects both its neighborhood and its size. Our module can be readily integrated into existing pipelines involving graph convolution operations, replacing the predetermined or existing adjacency matrix with one that is learned, and optimized, as part of the general objective. As such it is applicable to any GCN. We integrate our module into trajectory prediction, point cloud classification and node classification pipelines resulting in improved accuracy over other structure-learning methods across a wide range of datasets and GCN backbones.

In view of the problem that each subchain in the chain-of-model (CoM) relies only on the information of the previous subchain and may lose long-range dependencies due to the causal mask blocking the global context flow between multi-level subchains, this work proposes a graph of causal evolution (GoCE). Its core principle is to map the implicit token representation into a differentiable and sparse causal adjacency matrix, then permeate causal constraints through each layer of calculation using causal-masked attention and causal-MoE. By combining intervention consistency loss test and self-evolution gate, the dynamic balance between causal structure learning and adaptive updating of transformer architecture is realized. The researcher built experimental environments in sandboxes built with Claude Sonnet 4, o4-mini-high, and DeepSeek R1 respectively with the transformer variant architecture introduced in GoCE. It is evaluated on publicly available datasets including CLUTRR, CLADDER, EX-FEVER, and CausalQA and compared with the baseline LLMs. The finding proves that GoCE strengthens the transformer's ability to capture long-range causal dependencies, while the ability to self-evolve is improved. It not only surpasses the design of CoM in terms of design principles, but also provides experience for future research on causal learning and continuous adaptive improvement.

Medical image segmentation plays a vital role in clinical decision-making, enabling precise localization of lesions and guiding interventions. Despite significant advances in segmentation accuracy, the black-box nature of most deep models has raised growing concerns about their trustworthiness in high-stakes medical scenarios. Current explanation techniques have primarily focused on classification tasks, leaving the segmentation domain relatively underexplored. We introduced an explanation model for segmentation task which employs the causal inference framework and backpropagates the average treatment effect (ATE) into a quantification metric to determine the influence of input regions, as well as network components, on target segmentation areas. Through comparison with recent segmentation explainability techniques on two representative medical imaging datasets, we demonstrated that our approach provides more faithful explanations than existing approaches. Furthermore, we carried out a systematic causal analysis of multiple foundational segmentation models using our method, which reveals significant heterogeneity in perceptual strategies across different models, and even between different inputs for the same model. Suggesting the potential of our method to provide notable insights for optimizing segmentation models. Our code can be found at https://github.com/lcmmai/PdCR.

Causal inference is essential for data-driven decision making across domains such as business engagement, medical treatment and policy making. However, research on causal discovery has evolved separately from inference methods, preventing straight-forward combination of methods from both fields. In this work, we develop Deep End-to-end Causal Inference (DECI), a single flow-based non-linear additive noise model that takes in observational data and can perform both causal discovery and inference, including conditional average treatment effect (CATE) estimation. We provide a theoretical guarantee that DECI can recover the ground truth causal graph under standard causal discovery assumptions. Motivated by application impact, we extend this model to heterogeneous, mixed-type data with missing values, allowing for both continuous and discrete treatment decisions. Our results show the competitive performance of DECI when compared to relevant baselines for both causal discovery and (C)ATE estimation in over a thousand experiments on both synthetic datasets and causal machine learning benchmarks across data-types and levels of missingness.

Spatio-Temporal Graph (STG) forecasting is a fundamental task in many real-world applications. Spatio-Temporal Graph Neural Networks have emerged as the most popular method for STG forecasting, but they often struggle with temporal out-of-distribution (OoD) issues and dynamic spatial causation. In this paper, we propose a novel framework called CaST to tackle these two challenges via causal treatments. Concretely, leveraging a causal lens, we first build a structural causal model to decipher the data generation process of STGs. To handle the temporal OoD issue, we employ the back-door adjustment by a novel disentanglement block to separate invariant parts and temporal environments from input data. Moreover, we utilize the front-door adjustment and adopt the Hodge-Laplacian operator for edge-level convolution to model the ripple effect of causation. Experiments results on three real-world datasets demonstrate the effectiveness and practicality of CaST, which consistently outperforms existing methods with good interpretability.

Despite the recent successes of vanilla Graph Neural Networks (GNNs) on many tasks, their foundation on pairwise interaction networks inherently limits their capacity to discern latent higher-order interactions in complex systems. To bridge this capability gap, we propose a novel approach exploiting the rich mathematical theory of simplicial complexes (SCs) - a robust tool for modeling higher-order interactions. Current SC-based GNNs are burdened by high complexity and rigidity, and quantifying higher-order interaction strengths remains challenging. Innovatively, we present a higher-order Flower-Petals (FP) model, incorporating FP Laplacians into SCs. Further, we introduce a Higher-order Graph Convolutional Network (HiGCN) grounded in FP Laplacians, capable of discerning intrinsic features across varying topological scales. By employing learnable graph filters, a parameter group within each FP Laplacian domain, we can identify diverse patterns where the filters' weights serve as a quantifiable measure of higher-order interaction strengths. The theoretical underpinnings of HiGCN's advanced expressiveness are rigorously demonstrated. Additionally, our empirical investigations reveal that the proposed model accomplishes state-of-the-art (SOTA) performance on a range of graph tasks and provides a scalable and flexible solution to explore higher-order interactions in graphs.

Scalability of Graph Neural Networks (GNNs) remains a significant challenge. To tackle this, methods like coarsening, condensation, and computation trees are used to train on a smaller graph, resulting in faster computation. Nonetheless, prior research has not adequately addressed the computational costs during the inference phase. This paper presents a novel approach to improve the scalability of GNNs by reducing computational burden during the inference phase using graph coarsening. We demonstrate two different methods -- Extra Nodes and Cluster Nodes. Our study extends the application of graph coarsening for graph-level tasks, including graph classification and graph regression. We conduct extensive experiments on multiple benchmark datasets to evaluate the performance of our approach. Our results show that the proposed method achieves orders of magnitude improvements in single-node inference time compared to traditional approaches. Furthermore, it significantly reduces memory consumption for node and graph classification and regression tasks, enabling efficient training and inference on low-resource devices where conventional methods are impractical. Notably, these computational advantages are achieved while maintaining competitive performance relative to baseline models.

Convolutional networks are at the core of most state-of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to become mainstream, yielding substantial gains in various benchmarks. Although increased model size and computational cost tend to translate to immediate quality gains for most tasks (as long as enough labeled data is provided for training), computational efficiency and low parameter count are still enabling factors for various use cases such as mobile vision and big-data scenarios. Here we explore ways to scale up networks in ways that aim at utilizing the added computation as efficiently as possible by suitably factorized convolutions and aggressive regularization. We benchmark our methods on the ILSVRC 2012 classification challenge validation set demonstrate substantial gains over the state of the art: 21.2% top-1 and 5.6% top-5 error for single frame evaluation using a network with a computational cost of 5 billion multiply-adds per inference and with using less than 25 million parameters. With an ensemble of 4 models and multi-crop evaluation, we report 3.5% top-5 error on the validation set (3.6% error on the test set) and 17.3% top-1 error on the validation set.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

Cause-and-effect reasoning in video is a significant challenge for Vision-Language Models (VLMs), as it requires going beyond surface-level perception to a deeper understanding of causal mechanisms. However, existing benchmarks rarely provide the fine-grained, grounded evidence needed to rigorously evaluate this capability. To address this gap, we introduce CaST-Bench, a benchmark for Causal Chain-Grounded Spatio-Temporal Video Reasoning. CaST-Bench presents complex causal questions that require models to identify and localize a chain of multiple spatio-temporal evidences. Through a human-AI collaborative pipeline, we construct a high-quality dataset of 2,066 questions over 1,015 videos, with causal chains annotated by temporal segments and bounding-box tracks. Furthermore, we design a comprehensive evaluation suite with novel metrics that assess not only answer correctness but also the capability for visual evidence grounded reasoning. This grounding is crucial for improving accuracy by mitigating spurious correlations and for enhancing user trust by making models more transparent. Our experiments show that current VLMs struggle with causal questions, largely due to their limited ability to construct precise and grounded causal chains. This highlights an important direction for improving future VLMs.

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across most datasets.

Multimodal Attributed Graphs (MMAGs) are an expressive data model for representing the complex interconnections among entities that associate attributes from multiple data modalities (text, images, etc.). Clustering over such data finds numerous practical applications in real scenarios, including social community detection, medical data analytics, etc. However, as revealed by our empirical studies, existing multi-view clustering solutions largely rely on the high correlation between attributes across various views and overlook the unique characteristics (e.g., low modality-wise correlation and intense feature-wise noise) of multimodal attributes output by large pre-trained language and vision models in MMAGs, leading to suboptimal clustering performance. Inspired by foregoing empirical observations and our theoretical analyses with graph signal processing, we propose the Dual Graph Filtering (DGF) scheme, which innovatively incorporates a feature-wise denoising component into node representation learning, thereby effectively overcoming the limitations of traditional graph filters adopted in the extant multi-view graph clustering approaches. On top of that, DGF includes a tri-cross contrastive training strategy that employs instance-level contrastive learning across modalities, neighborhoods, and communities for learning robust and discriminative node representations. Our comprehensive experiments on eight benchmark MMAG datasets exhibit that DGF is able to outperform a wide range of state-of-the-art baselines consistently and significantly in terms of clustering quality measured against ground-truth labels.

Graph pre-training has achieved remarkable success in recent years, delivering transferable representations for downstream adaptation. However, most existing methods are designed for either homogeneous or heterogeneous graphs, thereby hindering unified graph modeling across diverse graph types. This separation contradicts real-world applications, where mixed homogeneous and heterogeneous graphs are ubiquitous, and distribution shifts between upstream pre-training and downstream deployment are common. In this paper, we empirically demonstrate that a balanced mixture of homogeneous and heterogeneous graph pre-training benefits downstream tasks and propose a unified multi-domain Graph Pre-training method across Homogeneous and Heterogeneous graphs (GPH^{2}). To address the lack of a unified encoder for homogeneous and heterogeneous graphs, we propose a Unified Multi-View Graph Construction that simultaneously encodes both without explicit graph-type-specific designs. To cope with the increased cross-domain distribution discrepancies arising from mixed graphs, we introduce domain-specific expert encoding. Each expert is independently pre-trained on a single graph to capture domain-specific knowledge, thereby shielding the pre-training encoder from the adverse effects of cross-domain discrepancies. For downstream tasks, we further design a Task-oriented Expert Fusion Strategy that adaptively integrates multiple experts based on their discriminative strengths. Extensive experiments on mixed graphs demonstrate that GPH^{2} enables stable transfer across graph types and domains, significantly outperforming existing graph pre-training methods.

Quantifying the causal influence of input features within neural networks has become a topic of increasing interest. Existing approaches typically assess direct, indirect, and total causal effects. This work treats NNs as structural causal models (SCMs) and extends our focus to include intrinsic causal contributions (ICC). We propose an identifiable generative post-hoc framework for quantifying ICC. We also draw a relationship between ICC and Sobol' indices. Our experiments on synthetic and real-world datasets demonstrate that ICC generates more intuitive and reliable explanations compared to existing global explanation techniques.

In this paper, we approach an overlooked yet critical task Graph2Image: generating images from multimodal attributed graphs (MMAGs). This task poses significant challenges due to the explosion in graph size, dependencies among graph entities, and the need for controllability in graph conditions. To address these challenges, we propose a graph context-conditioned diffusion model called InstructG2I. InstructG2I first exploits the graph structure and multimodal information to conduct informative neighbor sampling by combining personalized page rank and re-ranking based on vision-language features. Then, a Graph-QFormer encoder adaptively encodes the graph nodes into an auxiliary set of graph prompts to guide the denoising process of diffusion. Finally, we propose graph classifier-free guidance, enabling controllable generation by varying the strength of graph guidance and multiple connected edges to a node. Extensive experiments conducted on three datasets from different domains demonstrate the effectiveness and controllability of our approach. The code is available at https://github.com/PeterGriffinJin/InstructG2I.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

This work addresses weakly-supervised image semantic segmentation based on image-level class labels. One common approach to this task is to propagate the activation scores of Class Activation Maps (CAMs) using a random-walk mechanism in order to arrive at complete pseudo labels for training a semantic segmentation network in a fully-supervised manner. However, the feed-forward nature of the random walk imposes no regularization on the quality of the resulting complete pseudo labels. To overcome this issue, we propose a Graph Convolutional Network (GCN)-based feature propagation framework. We formulate the generation of complete pseudo labels as a semi-supervised learning task and learn a 2-layer GCN separately for every training image by back-propagating a Laplacian and an entropy regularization loss. Experimental results on the PASCAL VOC 2012 dataset confirm the superiority of our scheme to several state-of-the-art baselines. Our code is available at https://github.com/Xavier-Pan/WSGCN.

Discovering causal structures from multivariate time series is a key problem because interactions span across multiple lags and possibly involve instantaneous dependencies. Additionally, the search space of the dynamic graphs is combinatorial in nature. In this study, we propose Stable Causal Dynamic Differentiable Discovery (SC3D), a two-stage differentiable framework that jointly learns lag-specific adjacency matrices and, if present, an instantaneous directed acyclic graph (DAG). In Stage 1, SC3D performs edge preselection through node-wise prediction to obtain masks for lagged and instantaneous edges, whereas Stage 2 refines these masks by optimizing a likelihood with sparsity along with enforcing acyclicity on the instantaneous block. Numerical results across synthetic SVAR systems, nonlinear and chaotic benchmarks, nonstationary dynamics and real-world datasets demonstrate that SC3D achieves improved stability and more accurate recovery of both lagged and instantaneous causal structures compared to existing baselines.

Recent studies often exploit Graph Convolutional Network (GCN) to model label dependencies to improve recognition accuracy for multi-label image recognition. However, constructing a graph by counting the label co-occurrence possibilities of the training data may degrade model generalizability, especially when there exist occasional co-occurrence objects in test images. Our goal is to eliminate such bias and enhance the robustness of the learnt features. To this end, we propose an Attention-Driven Dynamic Graph Convolutional Network (ADD-GCN) to dynamically generate a specific graph for each image. ADD-GCN adopts a Dynamic Graph Convolutional Network (D-GCN) to model the relation of content-aware category representations that are generated by a Semantic Attention Module (SAM). Extensive experiments on public multi-label benchmarks demonstrate the effectiveness of our method, which achieves mAPs of 85.2%, 96.0%, and 95.5% on MS-COCO, VOC2007, and VOC2012, respectively, and outperforms current state-of-the-art methods with a clear margin. All codes can be found at https://github.com/Yejin0111/ADD-GCN.

Understanding how the predictions of deep learning models are formed during the training process is crucial to improve model performance and fix model defects, especially when we need to investigate nontrivial training strategies such as active learning, and track the root cause of unexpected training results such as performance degeneration. In this work, we propose a time-travelling visual solution DeepVisualInsight (DVI), aiming to manifest the spatio-temporal causality while training a deep learning image classifier. The spatio-temporal causality demonstrates how the gradient-descent algorithm and various training data sampling techniques can influence and reshape the layout of learnt input representation and the classification boundaries in consecutive epochs. Such causality allows us to observe and analyze the whole learning process in the visible low dimensional space. Technically, we propose four spatial and temporal properties and design our visualization solution to satisfy them. These properties preserve the most important information when inverse-)projecting input samples between the visible low-dimensional and the invisible high-dimensional space, for causal analyses. Our extensive experiments show that, comparing to baseline approaches, we achieve the best visualization performance regarding the spatial/temporal properties and visualization efficiency. Moreover, our case study shows that our visual solution can well reflect the characteristics of various training scenarios, showing good potential of DVI as a debugging tool for analyzing deep learning training processes.

In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.

AI generative models leave implicit traces in their generated images, which are commonly referred to as model fingerprints and are exploited for source attribution. Prior methods rely on model-specific cues or synthesis artifacts, yielding limited fingerprints that may generalize poorly across different generative models. We argue that a complete model fingerprint should reflect the causality between image provenance and model traces, a direction largely unexplored. To this end, we conceptualize the causal fingerprint of generative models, and propose a causality-decoupling framework that disentangles it from image-specific content and style in a semantic-invariant latent space derived from pre-trained diffusion reconstruction residual. We further enhance fingerprint granularity with diverse feature representations. We validate causality by assessing attribution performance across representative GANs and diffusion models and by achieving source anonymization using counterfactual examples generated from causal fingerprints. Experiments show our approach outperforms existing methods in model attribution, indicating strong potential for forgery detection, model copyright tracing, and identity protection.

Graph representation learning is a fundamental task in various applications that strives to learn low-dimensional embeddings for nodes that can preserve graph topology information. However, many existing methods focus on static graphs while ignoring evolving graph patterns. Inspired by the success of graph convolutional networks(GCNs) in static graph embedding, we propose a novel k-core based temporal graph convolutional network, the CTGCN, to learn node representations for dynamic graphs. In contrast to previous dynamic graph embedding methods, CTGCN can preserve both local connective proximity and global structural similarity while simultaneously capturing graph dynamics. In the proposed framework, the traditional graph convolution is generalized into two phases, feature transformation and feature aggregation, which gives the CTGCN more flexibility and enables the CTGCN to learn connective and structural information under the same framework. Experimental results on 7 real-world graphs demonstrate that the CTGCN outperforms existing state-of-the-art graph embedding methods in several tasks, including link prediction and structural role classification. The source code of this work can be obtained from https://github.com/jhljx/CTGCN.

We introduce QuadTok, a novel framework for visual tokenization and autoregressive image generation. Compared to traditional approaches using 2D grids or 1D token sequences, we propose a hierarchical quadtree structure, bridging the gap between 2D spatial binding and 1D sequence-level flexibility. The QuadTok tokenizer dynamically allocates representational capacity to visually intricate areas while leaving homogeneous regions at a coarse resolution. Compared with a fixed 256-token grid, our ImageNet-trained tokenizer saves approximately 10% of tokens on ImageNet and 9% when transferred zero-shot to the COCO dataset, while maintaining comparable reconstruction fidelity. Furthermore, the natural causality introduced by the tree structure seamlessly enables autoregressive image generation. Conditioned on a quadtree topology supplied before generation, our 947M GPT-style generative model achieves a 2.08 gFID on the ImageNet 256 times 256 benchmark. Additionally, leveraging the strong spatial correlation preserved by the quadtree structure, the QuadTok generator enables zero-shot spatially controlled image generation capabilities. Code: https://github.com/myc634/QuadTok.

We introduce a self-supervised approach for learning node and graph level representations by contrasting structural views of graphs. We show that unlike visual representation learning, increasing the number of views to more than two or contrasting multi-scale encodings do not improve performance, and the best performance is achieved by contrasting encodings from first-order neighbors and a graph diffusion. We achieve new state-of-the-art results in self-supervised learning on 8 out of 8 node and graph classification benchmarks under the linear evaluation protocol. For example, on Cora (node) and Reddit-Binary (graph) classification benchmarks, we achieve 86.8% and 84.5% accuracy, which are 5.5% and 2.4% relative improvements over previous state-of-the-art. When compared to supervised baselines, our approach outperforms them in 4 out of 8 benchmarks. Source code is released at: https://github.com/kavehhassani/mvgrl

Despite the remarkable advancements of Large Vision-Language Models (LVLMs), the mechanistic interpretability remains underexplored. Existing analyses are insufficiently comprehensive and lack examination covering visual and textual tokens, model components, and the full range of layers. This limitation restricts actionable insights to improve the faithfulness of model output and the development of downstream tasks, such as hallucination mitigation. To address this limitation, we introduce Fine-grained Cross-modal Causal Tracing (FCCT) framework, which systematically quantifies the causal effects on visual object perception. FCCT conducts fine-grained analysis covering the full range of visual and textual tokens, three core model components including multi-head self-attention (MHSA), feed-forward networks (FFNs), and hidden states, across all decoder layers. Our analysis is the first to demonstrate that MHSAs of the last token in middle layers play a critical role in aggregating cross-modal information, while FFNs exhibit a three-stage hierarchical progression for the storage and transfer of visual object representations. Building on these insights, we propose Intermediate Representation Injection (IRI), a training-free inference-time technique that reinforces visual object information flow by precisely intervening on cross-modal representations at specific components and layers, thereby enhancing perception and mitigating hallucination. Consistent improvements across five widely used benchmarks and LVLMs demonstrate IRI achieves state-of-the-art performance, while preserving inference speed and other foundational performance.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

Causal discovery for both cross-sectional and temporal data has traditionally followed a dataset-specific paradigm, where a new model is fitted for each individual dataset. Such an approach limits the potential of multi-dataset pretraining. The concept of large causal models (LCMs) envisions a class of pre-trained neural architectures specifically designed for temporal causal discovery. Prior approaches are constrained to small variable counts, degrade with larger inputs, and rely heavily on synthetic data, limiting generalization. We propose a principled framework for LCMs, combining diverse synthetic generators with realistic time-series datasets, allowing learning at scale. Extensive experiments on synthetic, semi-synthetic and realistic benchmarks show that LCMs scale effectively to higher variable counts and deeper architectures while maintaining strong performance. Trained models achieve competitive or superior accuracy compared to classical and neural baselines, particularly in out-of-distribution settings, while enabling fast, single-pass inference. Results demonstrate LCMs as a promising foundation-model paradigm for temporal causal discovery. Experiments and model weights are available at https://github.com/kougioulis/LCM-paper/.

Accurate medical image segmentation is critical for early medical diagnosis. Most existing methods are based on U-shape structure and use element-wise addition or concatenation to fuse different level features progressively in decoder. However, both the two operations easily generate plenty of redundant information, which will weaken the complementarity between different level features, resulting in inaccurate localization and blurred edges of lesions. To address this challenge, we propose a general multi-scale in multi-scale subtraction network (M^{2}SNet) to finish diverse segmentation from medical image. Specifically, we first design a basic subtraction unit (SU) to produce the difference features between adjacent levels in encoder. Next, we expand the single-scale SU to the intra-layer multi-scale SU, which can provide the decoder with both pixel-level and structure-level difference information. Then, we pyramidally equip the multi-scale SUs at different levels with varying receptive fields, thereby achieving the inter-layer multi-scale feature aggregation and obtaining rich multi-scale difference information. In addition, we build a training-free network ``LossNet'' to comprehensively supervise the task-aware features from bottom layer to top layer, which drives our multi-scale subtraction network to capture the detailed and structural cues simultaneously. Without bells and whistles, our method performs favorably against most state-of-the-art methods under different evaluation metrics on eleven datasets of four different medical image segmentation tasks of diverse image modalities, including color colonoscopy imaging, ultrasound imaging, computed tomography (CT), and optical coherence tomography (OCT). The source code can be available at https://github.com/Xiaoqi-Zhao-DLUT/MSNet.

The shared topology of human skeletons motivated the recent investigation of graph convolutional network (GCN) solutions for action recognition. However, the existing GCNs rely on the binary connection of two neighbouring vertices (joints) formed by an edge (bone), overlooking the potential of constructing multi-vertex convolution structures. In this paper we address this oversight and explore the merits of a hyper-graph convolutional network (Hyper-GCN) to achieve the aggregation of rich semantic information conveyed by skeleton vertices. In particular, our Hyper-GCN adaptively optimises multi-scale hyper-graphs during training, revealing the action-driven multi-vertex relations. Besides, virtual connections are often designed to support efficient feature aggregation, implicitly extending the spectrum of dependencies within the skeleton. By injecting virtual connections into hyper-graphs, the semantic clues of diverse action categories can be highlighted. The results of experiments conducted on the NTU-60, NTU-120, and NW-UCLA datasets, demonstrate the merits of our Hyper-GCN, compared to the state-of-the-art methods. Specifically, we outperform the existing solutions on NTU-120, achieving 90.2\% and 91.4\% in terms of the top-1 recognition accuracy on X-Sub and X-Set.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.