Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into single fixed-curvature manifolds or discrete product spaces, struggle to capture this diversity. We introduce Adaptive Riemannian Graph Neural Networks (ARGNN), a novel framework that learns a continuous and anisotropic Riemannian metric tensor field over the graph. It allows each node to determine its optimal local geometry, enabling the model to fluidly adapt to the graph's structural landscape. Our core innovation is an efficient parameterization of the node-wise metric tensor, specializing to a learnable diagonal form that captures directional geometric information while maintaining computational tractability. To ensure geometric regularity and stable training, we integrate a Ricci flow-inspired regularization that smooths the learned manifold. Theoretically, we establish the rigorous geometric evolution convergence guarantee for ARGNN and provide a continuous generalization that unifies prior fixed or mixed-curvature GNNs. Empirically, our method demonstrates superior performance on both homophilic and heterophilic benchmark datasets with the ability to capture diverse structures adaptively. Moreover, the learned geometries both offer interpretable insights into the underlying graph structure and empirically corroborate our theoretical analysis.
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Spiking Neural Networks (SNNs) offer a promising direction for energy-efficient and brain-inspired computing, yet their vulnerability to adversarial perturbations remains poorly understood. In this work, we revisit the adversarial robustness of SNNs through the lens of temporal ensembling, treating the network as a collection of evolving sub-networks across discrete timesteps. This formulation uncovers two critical but underexplored challenges—the fragility of individual temporal sub-networks and the tendency for adversarial vulnerabilities to transfer across time. To overcome these limitations, we propose Robust Temporal self-Ensemble (RTE), a training framework that improves the robustness of each sub-network while reducing the temporal transferability of adversarial perturbations. RTE integrates both objectives into a unified loss and employs a stochastic sampling strategy for efficient optimization. Extensive experiments across multiple benchmarks demonstrate that RTE consistently outperforms existing training methods in robust-accuracy trade-off. Additional analyses reveal that RTE reshapes the internal robustness landscape of SNNs, leading to more resilient and temporally diversified decision boundaries. Our study highlights the importance of temporal structure in adversarial learning and offers a principled foundation for building robust spiking models.
Graph-level clustering (GLC), which aims to group entire graphs according to their structural and attribute-based similarities, represents a fundamental yet challenging task in various practical applications. Existing GLC methods primarily fall into two main paradigms: 1) deep graph clustering approaches based on Graph Neural Networks (GNNs), and 2) kernel-based methods that utilize predefined kernels to perform fine-grained structural comparison for clustering. However, GNN-based methods typically learn graph-level representations by aggregating node embeddings through pooling operations, which inevitably leads to substantial information loss and suboptimal clustering performance. In contrast, kernel methods, despite their theoretical expressiveness, suffer from prohibitive computational costs that hinder their scalability to large-scale settings. To solve these issues, we propose a novel graph learning framework named Anchor-driven Nyström for Deep Graph-Level Clustering (ANGC), which computes graph similarity via kernel methods while retaining the scalability of GNNs. Specifically, we first employ GNNs to encode individual graphs into sets of node embeddings. Rather than relying on pooling operations, we compute graph similarities in a kernel space constructed from these embeddings. To enhance both scalability and representational power, we introduce learnable graph Nyström anchors, which support end-to-end optimization and significantly accelerate kernel computations. To further improve the discriminative capability of these anchors, we propose the concept of anchor response discrepancy, that is, the variation in a given anchor’s responses across different samples. By maximizing this discrepancy, the anchors are encouraged to strengthen inter-graph distinctions for better clustering. Extensive experiments demonstrate the effectiveness and superiority of ANGC over existing state-of-the-art methods.
Explore and Establish Synergistic Effects Between Weight Pruning and Coreset Selection in Neural Network Training
PDF ↗Modern deep neural networks rely heavily on massive model weights and training samples, incurring substantial computational costs. Weight pruning and coreset selection are two emerging paradigms proposed to improve computational efficiency. In this paper, we first explore the interplay between redundant weights and training samples through a transparent analysis: redundant samples, particularly noisy ones, cause model weights to become unnecessarily overtuned to fit them, complicating the identification of irrelevant weights during pruning; conversely, irrelevant weights tend to overfit noisy data, undermining coreset selection effectiveness. To further investigate and harness this interplay in deep learning, we develop a Simultaneous Weight and Sample Tailoring mechanism (SWaST) that alternately performs weight pruning and coreset selection to establish a synergistic effect in training. During this investigation, we observe that when simultaneously removing a large number of weights and samples, a phenomenon we term critical double-loss can occur, where important weights and their supportive samples are mistakenly eliminated at the same time, leading to model instability and nearly irreversible degradation that cannot be recovered in subsequent training. Unlike classic machine learning models, this issue can arise in deep learning due to the lack of theoretical guarantees on the correctness of weight pruning and coreset selection, which explains why these paradigms are often developed independently. We mitigate this by integrating a state preservation mechanism into SWaST, enabling stable joint optimization. Extensive experiments reveal a strong synergy between pruning and coreset selection across varying prune rates and coreset sizes, delivering accuracy boosts of up to 17.83% alongside 10% to 90% FLOPs reductions.
Planar quadrilateral (PQ) mesh generation is a key process in computer-aided design, particularly for architectural applications where the goal is to discretize a freeform surface using planar quad faces. The conjugate direction field (CDF) defined on the freeform surface plays a significant role in generating a PQ mesh, as it largely determines the PQ mesh layout. Conventionally, a CDF is obtained by solving a complex non-linear optimization problem that incorporates user preferences, i.e., aligning the CDF with user-specified strokes on the surface. This often requires a large number of iterations that are computationally expensive, preventing the interactive CDF design process for a desirable PQ mesh. To address this challenge, we propose a data-driven approach based on neural networks for controlled CDF generation. Our approach can effectively learn and fuse features from the freeform surface and the user strokes, and efficiently generate quality CDF respecting user guidance. To enable training and testing, we also present a dataset composed of 50000+ freeform surfaces with ground-truth CDFs, as well as a set of metrics for quantitative evaluation. The effectiveness and efficiency of our work are demonstrated by extensive experiments using testing data, architectural surfaces, and general 3D shapes.
CloserToMe: A Unified Framework for Accurate and Transferable Latency Prediction Across Heterogeneous Devices
PDF ↗Hardware accelerators such as GPUs, NPUs, and FPGAs are essential to meeting AI’s computational demands. With the proliferation of heterogeneous devices across cloud and edge, various model optimization techniques adapt to diverse hardware characteristics through operator transformations and structural modifications. Accurate, efficient latency prediction enables rapid selection of optimal strategies across hardware backends. Many existing methods treat hardware as a black-box executor, directly regressing latency without explicitly modeling the intricate interactions between neural network (NN) structures and device-specific execution behaviors. To address these challenges, we introduce a new modeling perspective that captures the interaction between neural architectures and hardware execution. To capture device-specific characteristics, we propose two complementary modeling strategies. The Device Behavior Signature Selector (DBSel) characterizes hardware execution behavior by selectively probing a small set of representative architectures, forming a compact, workload-driven profile. In parallel, we construct capability vectors that capture the hierarchical memory of each device and compute characteristics, providing a structured abstraction of its architectural capacity. To unify both behavioral and structural views, we introduce the Hardware–Operation Dialogue Module (HODM), which models fine-grained interactions between neural operators and hardware properties. Together, these components empower CloserToMe to deliver accurate and transferable latency predictions across unseen and diverse platforms.
The manifold hypothesis says that natural high-dimensional data lie on or around a low-dimensional manifold. The recent success of statistical and learning-based methods in very high dimensions empirically supports this hypothesis, suggesting that typical worst-case analysis does not provide practical guarantees. A natural step for analysis is thus to assume the manifold hypothesis and derive bounds that are independent of any ambient dimensions that the data may be embedded in. Theoretical implications in this direction have recently been explored in terms of generalization of ReLU networks and convergence of Langevin methods. In this work, we consider optimal uniform approximations with functions of finite statistical complexity. While upper bounds on uniform approximation exist in the literature using ReLU neural networks, we consider the opposite: lower bounds to quantify the fundamental difficulty of approximation on manifolds. In particular, we demonstrate that the statistical complexity required to approximate a class of bounded Sobolev functions on a compact manifold is bounded from below, and moreover that this bound is dependent only on the intrinsic properties of the manifold, such as curvature, volume, and injectivity radius.
Optimization Method for Surrogate Function in Spiking Neural Networks Based on Membrane Potential Distribution
PDF ↗Spiking Neural Networks (SNNs) offer promising energy efficiency and temporal sparsity for edge intelligence, but their training remains difficult due to gradient mismatch, membrane potential drift, and discretization errors. In this paper, we propose a membrane potential-guided surrogate optimization(MPO) framework that dynamically aligns the surrogate function with the membrane potential distribution to enhance the gradient propagation. Specifically, we introduce a KL-divergence-based regularization to stabilize membrane potential dynamics, and an adaptive width constraint to synchronize the surrogate gradient range with neural activity statistics. Additionally, we design a spike discretization error metric and a correction strategy to mitigate temporal discretization effects. Experiments on CIFAR-10, CIFAR-100, and ImageNet show our method achieves 94.76%, 74.20%, and 65.70% top-1 accuracy respectively, while improving gradient stability and energy efficiency. This work provides a principled optimization scheme for robust and scalable SNN training in practical neuromorphic systems.
Backdoor attacks pose a persistent security risk to deep neural networks (DNNs) due to their stealth and durability. While recent research has explored leveraging model unlearning mechanisms to enhance backdoor concealment, existing attack strategies still leave persistent traces that may be detected through static analysis. In this work, we introduce the first paradigm of revocable backdoor attacks, where the backdoor can be proactively and thoroughly removed after the attack objective is achieved. We formulate the trigger optimization in revocable backdoor attacks as a bilevel optimization problem: by simulating both backdoor injection and unlearning processes, the trigger generator is optimized to achieve a high attack success rate (ASR) while ensuring that the backdoor can be easily erased through unlearning. To mitigate the optimization conflict between injection and removal objectives, we employ a deterministic partition of poisoning and unlearning samples to reduce sampling-induced variance, and further apply the Projected Conflicting Gradient (PCGrad) technique to resolve the remaining gradient conflicts. Experiments on CIFAR-10 and ImageNet demonstrate that our method maintains ASR comparable to state-of-the-art backdoor attacks, while enabling effective removal of backdoor behavior after unlearning. This work opens a new direction for backdoor attack research and presents new challenges for the security of machine learning systems.
GCL-OT: Graph Contrastive Learning with Optimal Transport for Heterophilic Text-Attributed Graphs
PDF ↗Recently, structure–text contrastive learning has shown promising performance on text-attributed graphs by leveraging the complementary strengths of graph neural networks and language models. However, existing methods typically rely on homophily assumptions in similarity estimation and hard optimization objectives, which limit their applicability to heterophilic graphs. Although existing methods can mitigate heterophily through structural adjustments or neighbor aggregation, they usually treat textual embeddings as static targets, leading to suboptimal alignment. In this work, we identify the multi-granular heterophily in text-attributed graphs, including complete heterophily, partial heterophily, and latent homophily, which makes structure–text alignment particularly challenging due to mixed, noisy, and missing semantic correlations. To achieve flexible and bidirectional alignment, we propose GCL-OT, a novel graph contrastive learning framework with optimal transport, equipped with tailored mechanisms for each type of heterophily. Specifically, for partial heterophily, we design a RealSoftMax-based similarity estimator to emphasize key neighbor-word interactions while easing background noise. For complete heterophily, we introduce a prompt-based filter that adaptively excludes irrelevant noise during optimal transport alignment. Furthermore, we incorporate OT-guided soft supervision to uncover potential neighbors with similar semantics, enhancing the learning of latent homophily. Theoretical analysis shows that GCL-OT can improve the mutual information bound and Bayes error guarantees. Extensive experiments on nine benchmarks show that GCL-OT outperforms state-of-the-art methods, demonstrating its effectiveness and robustness.
CoCo-MILP: Inter-Variable Contrastive and Intra-Constraint Competitive MILP Solution Prediction
PDF ↗Mixed-Integer Linear Programming (MILP) is a cornerstone of combinatorial optimization, yet solving large-scale instances remains a significant computational challenge. Recently, Graph Neural Networks (GNNs) have shown promise in accelerating MILP solvers by predicting high-quality solutions. However, we identify that existing methods misalign with the intrinsic structure of MILP problems at two levels. At the leaning objective level, the Binary Cross-Entropy (BCE) loss treats variables independently, neglecting their relative priority and yielding plausible logits. At the model architecture level, standard GNN message passing inherently smooths the representations across variables, msking the natural competitive relationships within constraints. To address these challenges, we propose CoCo-MILP, which explicitly models inter-variable Contrast and intra-constraint Competition for advanced MILP solution prediction. At the objective level, CoCo-MILP introduces the Inter-Variable Contrastive Loss (VCL), which explicitly maximizes the embedding margin between variables assigned one versus zero. At the architectural level, we design an Intra-Constraint Competitive GNN layer that, instead of homogenizing features, learns to differentiate representations of competing variables within a constraint, capturing their exclusionary nature. Experimental results on standard benchmarks demonstrate that CoCo-MILP significantly outperforms existing learning-based approaches, reducing the solution gap by up to 68.12% compared to traditional solvers.
Evolutionary algorithms (EAs) are optimization algorithms that simulate natural selection and genetic mechanisms. Despite advancements, existing EAs have two main issues: (1) they rarely update next-generation individuals based on global correlations, thus limiting comprehensive learning; (2) it is challenging to balance exploration and exploitation, excessive exploitation leads to premature convergence to local optima, while excessive exploration results in an excessively slow search. Existing EAs heavily rely on manual parameter settings, inappropriate parameters might disrupt the exploration-exploitation balance, further impairing model performance. To address these challenges, we propose a novel evolutionary algorithm framework called Graph Neural Evolution (GNE). Unlike traditional EAs, GNE represents the population as a graph, where nodes correspond to individuals, and edges capture their relationships, thus effectively leveraging global information. Meanwhile, GNE utilizes spectral graph neural networks (GNNs) to decompose evolutionary signals into their frequency components and designs a filtering function to fuse these components. High-frequency components capture diverse global information, while low-frequency components capture more consistent information. This explicit frequency filtering strategy directly controls global-scale features through frequency components, overcoming the limitations of manual parameter settings and making the exploration-exploitation control more interpretable and effective. Extensive evaluations on nine benchmark functions (e.g., Sphere, Rastrigin, and Rosenbrock) demonstrate that GNE consistently outperforms both classical algorithms (GA, DE, CMA-ES) and advanced algorithms (SDAES, RL-SHADE) under various conditions, including original, noise-corrupted, and optimal solution deviation scenarios. GNE achieves solution quality several orders of magnitude better than other algorithms (e.g., 3.07e-20 mean on Sphere vs. 1.51e-07).
Hierarchical representations provide powerful and principled approaches for analyzing many musical genres. Such representations have been broadly studied in music theory, for instance via Schenkerian analysis (SchA). Hierarchical music analyses, however, are highly cost-intensive; the analysis of a single piece of music requires a great deal of time and effort from trained experts. The representation of hierarchical analyses in a computer-readable format is also a further challenge. Given recent developments in hierarchical deep learning and increasing quantities of computer-readable data, there is great promise in extending such work for an automatic hierarchical representation framework. This paper thus introduces a novel approach, AutoSchA, which extends recent developments in graph neural networks (GNNs) for hierarchical music analysis. AutoSchA features three key contributions: 1) a new graph learning framework for hierarchical music representation, 2) a new graph pooling mechanism based on node isolation that directly optimizes learned pooling assignments, and 3) a state-of-the-art architecture that integrates such developments for automatic hierarchical music analysis. We show, in a suite of experiments, that AutoSchA performs comparably to human experts when analyzing Baroque fugue subjects.
Text-attributed graphs (TAGs), which combine structural and textual node information, are ubiquitous across many domains. Recent work integrates Large Language Models (LLMs) with Graph Neural Networks (GNNs) to jointly model semantics and structure, resulting in more general and expressive models that achieve state-of-the-art performance on TAG benchmarks. However, this integration introduces dual vulnerabilities: GNNs are sensitive to structural perturbations, while LLM-derived features are vulnerable to prompt injection and adversarial phrasing. While existing adversarial attacks largely perturb structure or text independently, we find that uni-modal attacks cause only modest degradation in LLM-enhanced GNNs. Moreover, many existing attacks assume unrealistic capabilities, such as white-box access or direct modification of graph data. To address these gaps, we propose GraphTextack, the first black-box, multi-modal node injection attack for LLM-enhanced GNNs. GraphTextack injects nodes with carefully crafted structure and semantics to degrade model performance, operating under a realistic threat model without relying on model internals or surrogate models. To navigate the combinatorial, non-differentiable search space of connectivity and feature assignments, GraphTextack introduces a novel evolutionary optimization framework with a multi-objective fitness function that balances local prediction disruption and global graph influence. Extensive experiments on five datasets and two state-of-the-art LLM-enhanced GNN models show that GraphTextack significantly outperforms 12 strong baselines.
DA-DFGAS:Differentiable Federated Graph Neural Architecture Search with Distribution-Aware Attentive Aggregation
PDF ↗Graph Neural Networks (GNNs) have demonstrated superior performance in processing centralized graph-structured data. However, real-world privacy and security concerns hinder data centralization and shareing, leading to severe data isolation (data silos). While Federated Learning (FL) offers a distributed solution to mitigate these obstacles, existing Federated Graph Neural Network (FedGNN) frameworks struggle to effectively address data heterogeneity. To address this, this paper proposes DA-DFGAS, a federated graph neural architecture search algorithm. Specifically, DA-DFGAS facilitates model personalization via a directed tree topology and path constraint mechanisms, while simultaneously employing a joint self-attention mechanism based on predicted probability distributions to capture distributional variations across multiple clients. Furthermore, it integrates a bi-level global-local objective optimization strategy to ensure global model consistency while preserving local adaptability. Experimental results on multiple datasets demonstrate that DA-DFGAS outperforms state-of-the-art methods, achieving 0.5–3.0% accuracy improvements over centralized baselines and 0.5–5.0% over federated counterparts.
Graph Neural Networks (GNNs) excel at modeling graph data but often amplify biases tied to sensitive attributes like gender and race. Existing causality-based methods use isolated interventions on graph topology or features but struggle to produce representations that balance predictive power with fairness. This leads to two issues: (1) weak predictive power, where representations miss critical task-relevant features, and (2) bias amplification, where representations encode sensitive attributes, causing unfair outcomes. To address these issues, we introduce the Probability of Necessity and Sufficiency (PNS), where necessity ensures representations capture only essential features for predictions, and sufficiency guarantees these features are adequate without relying on sensitive attributes. We propose FairSNR, a fairness-aware graph representation learning framework that introduces constraints based on the PNS. This leverages PNS to guide the learning of fair representations from graph data. In particular, FairSNR employs an encoder to learn node representations with high PNS for downstream tasks. To compute and optimize PNS, FairSNR introduces an intervenor to generate the most challenging counterfactual interventions on the representations, thereby enhancing the model’s causal stability even under worst-case scenarios. Further, a discriminator is trained to detect and mitigate sensitive information leakage in the learned representations, effectively disentangling sensitive biases from task-relevant features. Experiments on real-world graph datasets demonstrate that FairSNR outperforms existing state-of-the-art (SOTA) methods in both fairness and utility.
With the growing adoption of Machine-Learning-As-A-Service (MLaaS), Private Inference (PI) has emerged as a promising solution to address its security concerns through cryptographic techniques. However, nonlinear operations in neural networks account for most of the computational and communication overhead in PI. Existing studies mainly focus on optimizing and reducing the number of ReLU activations in neural networks, but traditional pruning methods may mistakenly remove ReLUs that are critical to maintaining model accuracy. To accurately evaluate the importance of ReLUs in the network, we propose ReLUPruner, a method that uses Taylor expansion to quantify the impact on loss before and after ReLU replacement. Furthermore, we establish a hierarchical importance metric to guide layer-wise ReLU budget allocation and adopt a progressive pruning strategy that dynamically adjust the pruning rate of each layer according to training progress. Extensive experiments on various models and datasets show that ReLUPruner achieves a good balance between ReLU budget and model accuracy, yielding improvements of 1.89% (12.9k ReLUs, CIFAR-10), 3.62% (50k ReLUs, CIFAR-100) and 2.66% (30k ReLUs, Tiny-ImageNet) over the previous state-of-the-art.
The Leaky Integrate-and-Fire (LIF) neuron model remains a staple in spiking neural networks (SNNs), yet its oversimplified dynamics lead to unstable gradients and limit scalability. We introduce a polarization-aware spiking architecture (POLARA) that models depolarization, repolarization, and hyperpolarization through analytically defined membrane dynamics. POLARA unifies biologically grounded design with stable gradient propagation—formulating both forward and backward paths directly, and applying gradient shaping solely for numerical control, without requiring learnable gates or surrogate tuning. By bounding membrane potentials within realistic voltage ranges, POLARA avoids vanishing and exploding gradients, enabling scalable training in deeper architectures. Experiments show consistent gains over LIF and competitive results against optimized SNNs, positioning POLARA as a principled alternative to surrogate-driven or reset-based designs.
Large neural networks excel at prediction tasks, but their application to design problems, such as protein engineering or materials discovery, requires solving offline model-based optimization (MBO) problems. While predictive models may not directly translate to effective design, recent MBO algorithms incorporate reinforcement learning and generative modeling approaches. Meanwhile, theoretical work suggests that exploiting the target function’s structure can enhance MBO performance. We present Cliqueformer, a transformer- based architecture that learns the black-box function’s structure through functional graphical models (FGM), addressing distribution shift without relying on explicit conservative approaches. Across various domains, including chemical and genetic design tasks, Cliqueformer demonstrates superior performance compared to existing methods.
Recent advances in model compression have highlighted the potential of low-bit precision techniques, with Binary Neural Networks (BNNs) attracting attention for their extreme efficiency. However, extreme quantization in BNNs limits representational capacity and destabilizes training, posing significant challenges for lightweight architectures with depth-wise convolutions. To address this, we propose a 1.58-bit convolution to enhance expressiveness and a pre-BN residual connection to stabilize optimization by improving the Hessian condition number. These innovations enable, to the best of our knowledge, the first successful binarization of depth-wise convolutions in BNNs. Our method achieves 33M OPs on ImageNet with MobileNet V1, establishing a new state-of-the-art in BNNs by outperforming prior methods with comparable OPs. Moreover, it consistently outperforms existing methods across various datasets, including CIFAR-10, CIFAR-100, STL-10, Tiny ImageNet, and Oxford Flowers 102, with accuracy improvements of up to 9.3 percentage points.