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Xiaowen Dong

Publications and source records attributed to Xiaowen Dong.

At least 19 recordsLinked to original sources

From topology learning to graph generation: A unifying perspective

Learning graph structures from data is a fundamental problem that spans a wide range of signal processing and machine learning tasks. While significant effort has been made to tackle the problem, existing research has largely evolved along two parallel directions. The first seeks to infer the topology of an individual graph from observations supported on it, whereas the second seeks to learn a generative distribution from observed graph instances, enabling the sampling of new graphs. This review presents a unified framework that connects these formulations by viewing them as inverse problems of a common generation process for graph data. We review the major methodologies within this framework, highlight their relationships, strengths, and limitations, and identify opportunities for integrating ideas across paradigms. By bridging graph topology learning and graph generation, this review provides a broader cross-disciplinary perspective on the field and outlines promising directions for future research.

stat.ML

Judge a Book by its Cover: Investigating Multi-Modal LLMs for Multi-Page Handwritten Document Transcription

Handwriting text recognition (HTR) remains a challenging task. Existing approaches require fine-tuning on labeled data, which is impractical to obtain for real-world problems, or rely on zero-shot tools such as OCR engines and multi-modal LLMs (MLLMs). MLLMs have shown promise both as end-to-end transcribers and as OCR post-processors, but to date there is little empirical research evaluating different MLLM prompting strategies for HTR, particularly for the case of multi-page documents. Most handwritten documents are multi-page, and share context such as semantic content and handwriting style across pages, yet MLLMs are typically used for transcription at the page level, meaning they throw away this shared context. They are also typically used as either text-only post-processors or image-only OCR alternatives, rather than leveraging multiple modes. This paper investigates a suite of methods combining OCR, LLM post-processing and MLLM end-to-end transcription, for the task of zero-shot multi-page handwritten document transcription. We introduce a benchmark for this task from existing single-page datasets, including a new dataset, Malvern-Hills. Finally, we introduce OCR+PAGE-1 and OCR+PAGE-N, prompting strategies for multi-page transcription that outperform existing methods by sharing content across pages while minimizing prompt complexity.

cs.LG

Fast and Accurate: An Adaptive VLA Inference Framework through Environment-aware Model Selection

Embodied intelligence demands both long-horizon reasoning and real-time closed-loop responsiveness. Recent dual-system Vision-Language-Action (VLA) architectures combine fast reactive control with slow deliberative reasoning to balance inference speed and task success rate. However, existing dual-process VLAs tightly couple the fast module to intermediate representations of the slow module, necessitating end-to-end joint training and limiting modularity, extensibility and flexible system switching. In this paper, we propose Environment-aware Model Selection (EMS), an adaptive VLA inference framework that switches between two fully decoupled systems of different scales through environment-aware model selection. The large-scale deliberative system provides globally consistent trajectory planning to ensure task success, while a lightweight reactive system enables high-frequency closed-loop control. A reinforcement-learning-based switching policy dynamically selects which system to invoke based on real-time feedback, enabling sparse use of the slow system and thereby balancing pretrained knowledge utilisation with runtime efficiency. Our design offers three key advantages over prior hierarchical VLA frameworks: (1) a fully decoupled and modular dual-system architecture that supports plug-and-play model replacement; (2) an adaptive, environment-aware switching strategy; (3) high-frequency inference for responsive closed-loop control. We extensively evaluate EMS in both simulation and real-world environments. On the LIBERO benchmark, EMS achieves success rates comparable to the large-scale baseline while increasing the effective action frequency to 93.4 Hz. The framework further demonstrates strong extensibility in real-world dual-arm manipulation tasks, where it accelerates task completion while maintaining robust performance.

cs.RO

Separation Power of Equivariant Neural Networks

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

cs.LG

Temporal Motif Signatures for Temporal Graph Neural Networks

Real temporal interaction streams carry predictive structure in short-horizon motif patterns -- repetition, reciprocity, star diversity, triadic flow -- that vanilla temporal graph neural networks (TGNNs) often fail to expose to their edge scorers. We show this concretely on MOOC interaction prediction, where a small four-feature family of past-window star counts already delivers most of the lift over a strong static GNN. Across a wide set of real and synthetic temporal datasets we find that motif activity organizes consistently along three scale-stable axes (dyadic recency/reciprocity, star diversity, triadic flow), and we use this empirical structure to design a compact 13-coordinate, leakage-safe, candidate-local motif feature map h(u, v, t) that linearly embeds into any static or temporal encoder without architectural changes. A temporal Weisfeiler-Leman (WL) analysis places the augmentation relative to the first level of an anchored temporal-WL hierarchy and exhibits a candidate-anchored pair on which motif features distinguish. We demonstrate empirically that the same augmentation consistently lifts performance across heterogeneous tasks: TGB link-property prediction across all five baselines, edge classification on Bitcoin Alpha/OTC and MOOC, and graph-level classification of synthetic temporal generators.

cs.LG

Linking Extreme Discourse to Structural Polarization in Signed Interaction Networks

Polarization in online communities is often studied through either language or interaction structure, but the two views are rarely connected in a unified measurement pipeline. Prior work links them by building interaction graphs from human judgments of agreement and disagreement, leaving a gap between language as observed text and structure as an engineered representation of that text. We address this gap with a language-grounded signed-network pipeline that derives continuous signed edge weights from LLM stance scores and quantifies structural polarization using two complementary measures: a spectral Eigen-Sign score and a partition-based frustration score. After normalization, the two measures show substantial agreement while retaining important differences in their sensitivity to edge magnitude. Applying the framework to Reddit Brexit discussions, we analyze how window-level discourse signals, including toxicity, extreme scalar claims, and perplexity, relate to temporal variation in structural polarization. Edge-level and ablation analyses show that continuous, confidence-weighted signed edges reveal intensity-sensitive patterns that are muted under sign-only representations. We further report an exploratory one-step-ahead forecasting analysis suggesting that lagged language signals may contain information about future polarization beyond structural persistence. Together, the results demonstrate how discourse and signed-network structure can be connected in a single framework for measuring and interpreting polarization dynamics over time.

cs.SI

A Bipartite Graph Approach to U.S.-China Cross-Market Return Forecasting

This paper studies cross-market return predictability through a machine learning framework that preserves economic structure. Exploiting the non-overlapping trading hours of the U.S. and Chinese equity markets, we construct a directed bipartite graph that captures time-ordered predictive linkages between stocks across markets. Edges are selected via rolling-window hypothesis testing, and the resulting graph serves as a sparse, economically interpretable feature-selection layer for downstream machine learning models. We apply a range of regularized and ensemble methods to forecast open-to-close returns using lagged foreign-market information. Our results reveal a pronounced directional asymmetry: U.S. previous-close-to-close returns contain substantial predictive information for Chinese intraday returns, whereas the reverse effect is limited. This informational asymmetry translates into economically meaningful performance differences and highlights how structured machine learning frameworks can uncover cross-market dependencies while maintaining interpretability.

cs.LG

A Mechanistic Analysis of Looped Reasoning Language Models

Reasoning has become a central capability in large language models. Recent research has shown that reasoning performance can be improved by looping an LLM's layers in the latent dimension, resulting in looped reasoning language models. Despite promising results, few works have investigated how their internal dynamics differ from those of standard feedforward models. In this paper, we conduct a mechanistic analysis of the latent states in looped language models, focusing in particular on how the stages of inference observed in feedforward models compare to those observed in looped ones. To this end, we analyze cyclic recurrence and show that for many of the studied models each layer in the cycle converges to a distinct fixed point; consequently, the recurrent block follows a consistent cyclic trajectory in the latent space. We provide evidence that as these fixed points are reached, attention-head behavior stabilizes, leading to constant behavior across recurrences. Empirically, we discover that recurrent blocks learn stages of inference that closely mirror those of feedforward models, repeating these stages in depth with each iteration. We study how recurrent block size, input injection, and normalization influence the emergence and stability of these cyclic fixed points. We believe these findings help translate mechanistic insights into practical guidance for architectural design.

cs.LG

k-Maximum Inner Product Attention for Graph Transformers and the Expressive Power of GraphGPS

Graph transformers have shown promise in overcoming limitations of traditional graph neural networks, such as oversquashing and difficulties in modeling long-range dependencies. However, their application to large-scale graphs is hindered by the quadratic memory and computational complexity of the all-to-all attention mechanism. Although alternatives such as linearized attention and restricted attention patterns have been proposed, these often degrade performance or limit expressive power. To better balance efficiency and effectiveness, we introduce k-Maximum Inner Product (k-MIP) attention for graph transformers. k-MIP attention selects the most relevant key nodes per query via a top-k operation, yielding a sparse yet flexible attention pattern. Combined with an attention score computation based on symbolic matrices, this results in linear memory complexity and practical speedups of up to an order of magnitude compared to all-to-all attention, enabling the processing of graphs with over 500k nodes on a single A100 GPU. We provide a theoretical analysis of expressive power, showing that k-MIP attention does not compromise the expressiveness of graph transformers: specifically, we prove that k-MIP transformers can approximate any full-attention transformer to arbitrary precision. In addition, we analyze the expressive power of the GraphGPS framework, in which we integrate our attention mechanism, and establish an upper bound on its graph distinguishing capability in terms of the S-SEG-WL test. Finally, we validate our approach on the Long Range Graph Benchmark, the City-Networks benchmark, and two custom large-scale inductive point cloud datasets, consistently ranking among the top-performing scalable graph transformers.

cs.LG

Towards Quantifying Long-Range Interactions in Graph Machine Learning: a Large Graph Dataset and a Measurement

Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations primarily compare models employing global attention (e.g., graph transformers) with those using local neighborhood aggregation (e.g., message-passing neural networks) without a direct measurement of long-range dependency. In this work, we introduce $\texttt{City-Networks}$, a novel large-scale transductive learning dataset derived from real-world city road networks. This dataset features graphs with over $10^5$ nodes and significantly larger diameters than those in existing benchmarks, naturally embodying long-range information. We annotate the graphs based on local node eccentricities, ensuring that the classification task inherently requires information from distant nodes. Furthermore, we propose a generic measurement based on the Jacobians of neighbors from distant hops, offering a principled quantification of long-range dependencies. Finally, we provide theoretical justifications for both our dataset design and the proposed measurement, particularly by focusing on over-smoothing and influence score dilution, which establishes a robust foundation for further exploration of long-range interactions in graph neural networks.

cs.LG

Can Graph Foundation Models Generalize Over Architecture?

Graph foundation models (GFMs) have recently attracted interest due to the promise of graph neural network (GNN) architectures that generalize zero-shot across graphs of arbitrary scales, feature dimensions, and domains. While existing work has demonstrated this ability empirically across diverse real-world benchmarks, these tasks share a crucial hidden limitation: they admit a narrow set of effective GNN architectures. In particular, current domain-agnostic GFMs rely on fixed architectural backbones, implicitly assuming that a single message-passing regime suffices across tasks. In this paper, we argue that architecture adaptivity is a necessary requirement for true GFMs. We show that existing approaches are non-robust to task-dependent architectural attributes and, as a case study, use range as a minimal and measurable axis along which this limitation becomes explicit. With theoretical analysis and controlled synthetic experiments, we demonstrate that fixed-backbone GFMs provably under-reach on tasks whose architectural requirements differ from those seen at training time. To address this issue, we introduce a framework that adapts effective GNN architecture at inference time by discovering and mixing task-specific linear graph operators, enabling zero-shot generalization across tasks with heterogeneous architectural requirements, without retraining. We validate our approach on arbitrary-range synthetic tasks and a suite of real-world benchmarks, demonstrating improved performance and robustness over existing domain-agnostic GFMs.

cs.LG

Scalable Message Passing Neural Networks: No Need for Attention in Large Graph Representation Learning

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce high-performing deep message-passing-based Graph Neural Networks (GNNs). This modification yields results competitive with the state-of-the-art in large graph transductive learning, particularly outperforming the best Graph Transformers in the literature, without requiring the otherwise computationally and memory-expensive attention mechanism. Our architecture not only scales to large graphs but also makes it possible to construct deep message-passing networks, unlike simple GNNs, which have traditionally been constrained to shallow architectures due to oversmoothing. Moreover, we provide a new theoretical analysis of oversmoothing based on universal approximation which we use to motivate SMPNNs. We show that in the context of graph convolutions, residual connections are necessary for maintaining the universal approximation properties of downstream learners and that removing them can lead to a loss of universality.

cs.LG

Bures-Wasserstein Flow Matching for Graph Generation

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between reference and data distributions. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations in the disjoint space of nodes/edges to build the path. This disentangled interpolation breaks the interconnected patterns of graphs, making the constructed probability path irregular and non-smooth, which causes poor training dynamics and faulty sampling convergence. To address the limitation, this paper first presents a theoretically grounded framework for probability path construction in graph generative models. Specifically, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design a smooth probability path that ensures the co-evolution of graph components. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that utilizes the derived optimal probability path to benefit the training and sampling algorithm design. Experimental evaluations in plain graph generation and molecule generation validate the effectiveness of BWFlow with competitive performance, better training convergence, and efficient sampling.

cs.LG

On the Impact of Sample Size in Reconstructing Noisy Graph Signals: A Theoretical Characterisation

Reconstructing a signal on a graph from noisy observations of a subset of the vertices is a fundamental problem in the field of graph signal processing. This paper investigates how sample size affects reconstruction error in the presence of noise via an in-depth theoretical analysis of the two most common reconstruction methods in the literature, least-squares reconstruction (LS) and graph-Laplacian regularised reconstruction (GLR). Our theorems show that at sufficiently low signal-to-noise ratios (SNRs), under these reconstruction methods we may simultaneously decrease sample size and decrease average reconstruction error. We further show that at sufficiently low SNRs, for LS reconstruction we have a $Λ$-shaped error curve and for GLR reconstruction, a sample size of $ O(\sqrt{N})$, where $N$ is the total number of vertices, results in lower reconstruction error than near full observation. We present thresholds on the SNRs, $τ$ and $τ_{GLR}$, below which the error is non-monotonic, and illustrate these theoretical results with experiments across multiple random graph models, sampling schemes and SNRs. These results demonstrate that any decision in sample-size choice has to be made in light of the noise levels in the data.

eess.SP

Attention Sinks and Compression Valleys in LLMs are Two Sides of the Same Coin

Attention sinks and compression valleys have attracted significant attention as two puzzling phenomena in large language models, but have been studied in isolation. In this work, we present a surprising connection between attention sinks and compression valleys, tracing both to the formation of massive activations in the residual stream. We prove theoretically that massive activations necessarily produce representational compression and establish bounds on the resulting entropy reduction. Through experiments across several models (410M-120B parameters), we confirm that when the beginning-of-sequence token develops extreme activation norms in the middle layers, both compression valleys and attention sinks emerge simultaneously. Targeted ablation studies validate our theoretical predictions. This unified view motivates us to propose the Mix-Compress-Refine theory of information flow, as an attempt to explain how LLMs organize their computation in depth by controlling attention and representational compression via massive activations. Specifically, we posit that Transformer-based LLMs process tokens in three distinct phases: (1) broad mixing in the early layers, (2) compressed computation with limited mixing in the middle layers, and (3) selective refinement in the late layers. Our framework helps explain why embedding tasks perform best at intermediate layers, whereas generation tasks benefit from full-depth processing, clarifying differences in task-dependent representations.

cs.LG

Data-Driven Graph Filters via Adaptive Spectral Shaping

We introduce Adaptive Spectral Shaping, a data-driven framework for graph filtering that learns a reusable baseline spectral kernel and modulates it with a small set of Gaussian factors. The resulting multi-peak, multi-scale responses allocate energy to heterogeneous regions of the Laplacian spectrum while remaining interpretable via explicit centers and bandwidths. To scale, we implement filters with Chebyshev polynomial expansions, avoiding eigendecompositions. We further propose Transferable Adaptive Spectral Shaping (TASS): the baseline kernel is learned on source graphs and, on a target graph, kept fixed while only the shaping parameters are adapted, enabling few-shot transfer under matched compute. Across controlled synthetic benchmarks spanning graph families and signal regimes, Adaptive Spectral Shaping reduces reconstruction error relative to fixed-prototype wavelets and learned linear banks, and TASS yields consistent positive transfer. The framework provides compact spectral modules that plug into graph signal processing pipelines and graph neural networks, combining scalability, interpretability, and cross-graph generalization.

cs.LG

How Out-of-Distribution Detection Learning Theory Enhances Transformer: Learnability and Reliability

Transformers excel in natural language processing and computer vision tasks. However, they still face challenges in generalizing to Out-of-Distribution (OOD) datasets, i.e. data whose distribution differs from that seen during training. OOD detection aims to distinguish outliers while preserving in-distribution (ID) data performance. This paper introduces the OOD detection Probably Approximately Correct (PAC) Theory for transformers, which establishes the conditions for data distribution and model configurations for the OOD detection learnability of transformers. It shows that outliers can be accurately represented and distinguished with sufficient data under conditions. The theoretical implications highlight the trade-off between theoretical principles and practical training paradigms. By examining this trade-off, we naturally derived the rationale for leveraging auxiliary outliers to enhance OOD detection. Our theory suggests that by penalizing the misclassification of outliers within the loss function and strategically generating soft synthetic outliers, one can robustly bolster the reliability of transformer networks. This approach yields a novel algorithm that ensures learnability and refines the decision boundaries between inliers and outliers. In practice, the algorithm consistently achieves state-of-the-art (SOTA) performance across various data formats.

cs.LG

LGDC: Latent Graph Diffusion via Spectrum-Preserving Coarsening

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph at once. In this work, we provide an analysis of these two paradigms and reveal a key trade-off: autoregressive models stand out in capturing fine-grained local structures, such as degree and clustering properties, whereas one-shot models excel at modeling global patterns, such as spectral distributions. Building on this, we propose LGDC (latent graph diffusion via spectrum-preserving coarsening), a hybrid framework that combines strengths of both approaches. LGDC employs a spectrum-preserving coarsening-decoarsening to bidirectionally map between graphs and a latent space, where diffusion efficiently generates latent graphs before expansion restores detail. This design captures both local and global properties with improved efficiency. Empirically, LGDC matches autoregressive models on locally structured datasets (Tree) and diffusion models on globally structured ones (Planar, Community-20), validating the benefits of hybrid generation.

cs.LG