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HubGT: Fast Graph Transformer with Decoupled Hierarchy Labeling

Neural Information Processing Systems

Graph Transformer (GT) leveraging the powerful Transformer architecture to learn graph-structured data. However, effectively representing graph information while ensuring efficiency remains challenging, as our analysis reveals that graph-scale operations still constitute the computational bottleneck in current GT designs and limit their applications to large graphs. In this work, we tackle the GT scalability issue by proposing HubGT, which is boosted by decoupled graph computation and hierarchical graph representations. HubGT represents graph information with a novel hub labeling scheme, which encompasses enriched neighborhoods for node token generation, and fast computation for distance-based positional encoding. Notably, the precomputation and training of HubGT achieve complexities linear to the number of graph edges and nodes, respectively, while the training stage completely removes graph-related computations, leading to favorable mini-batch capability and GPU utilization. Extensive experiments demonstrate that HubGT offers efficient computation and mini-batch capability over existing GT designs on large-scale datasets while achieving top-tier effectiveness. Our code is available at: https://github.com/gdmnl/HubGT.


Multi-Scale Finetuning for Encoder-based Time Series Foundation Models

Neural Information Processing Systems

Time series foundation models (TSFMs) demonstrate impressive zero-shot performance for time series forecasting. However, an important yet underexplored challenge is how to effectively finetune TSFMs on specific downstream tasks. While naive finetuning can yield performance gains, we argue that it falls short of fully leveraging TSFMs' capabilities, often resulting in overfitting and suboptimal performance. Given the diverse temporal patterns across sampling scales and the inherent multi-scale forecasting capabilities of TSFMs, we adopt a causal perspective to analyze finetuning process, through which we highlight the critical importance of explicitly modeling multiple scales and reveal the shortcomings of naive approaches. Focusing on encoder-based TSFMs, we propose MultiScale FineTuning (MSFT), a simple yet general framework that explicitly integrates multi-scale modeling into the finetuning process. Experimental results on three different backbones (MOIRAI, MOMENT and UNITS) demonstrate that TSFMs finetuned with MSFT not only outperform naive and typical parameter efficient finetuning methods but also surpass state-of-the-art deep learning methods. Codes are available at https://github.com/zqiao11/MSFT.


Approximating Shapley Explanations in Reinforcement Learning

Neural Information Processing Systems

Reinforcement learning has achieved remarkable success in complex decisionmaking environments, yet its lack of transparency limits its deployment in practice, especially in safety-critical settings. Shapley values from cooperative game theory provide a principled framework for explaining reinforcement learning; however, the computational cost of Shapley explanations is an obstacle for their use. We introduce FastSVERL, a scalable method for explaining reinforcement learning by approximating Shapley values. FastSVERL is designed to handle the unique challenges of reinforcement learning, including temporal dependencies across multi-step trajectories, learning from off-policy data, and adapting to evolving agent behaviours in real time. FastSVERL introduces a practical, scalable approach for principled and rigourous interpretability in reinforcement learning.


Parallelizing MCMCAcross the Sequence Length

Neural Information Processing Systems

Markov chain Monte Carlo (MCMC) methods are foundational algorithms for Bayesian inference and probabilistic modeling. However, most MCMC algorithms are inherently sequential and their time complexity scales linearly with the sequence length. Previous work on adapting MCMC to modern hardware has therefore focused on running many independent chains in parallel. Here, we take an alternative approach: we propose algorithms to evaluate MCMC samplers in parallel across the chain length. To do this, we build on recent methods for parallel evaluation of nonlinear recursions that formulate the state sequence as a solution to a fixed-point problem and solve for the fixed-point using a parallel form of Newton's method. We show how this approach can be used to parallelize Gibbs, Metropolis-adjusted Langevin, and Hamiltonian Monte Carlo sampling across the sequence length. In several examples, we demonstrate the simulation of up to hundreds of thousands of MCMC samples with only tens of parallel Newton iterations. Additionally, we develop two new parallel quasi-Newton methods to evaluate nonlinear recursions with lower memory costs and reduced runtime. We find that the proposed parallel algorithms accelerate MCMC sampling across multiple examples, in some cases by more than an order of magnitude compared to sequential evaluation.


High-Performance Arithmetic Circuit Optimization via Differentiable Architecture Search

Neural Information Processing Systems

Arithmetic circuit optimization remains a fundamental challenge in modern integrated circuit design. Recent advances have cast this problem within the Learning to Optimize (L2O) paradigm, where intelligent agents autonomously explore high-performance design spaces with encouraging results. However, existing approaches predominantly target coarse-grained architectural configurations, while the crucial interconnect optimization stage is often relegated to oversimplified proxy models or a heuristic approach. This disconnect undermines design quality, leading to suboptimal solutions in the circuit topology search space. To bridge this gap, we present ARITH-DAS, a Differentiable Architecture Search framework for Arithmetic circuits. To the best of our knowledge, ARITH-DAS is the first to formulate interconnect optimization within arithmetic circuits as a differentiable edge prediction problem over a multi-relational directed acyclic graph, enabling fine-grained, proxy-free optimization at the interconnection level. We evaluate ARITH-DAS on a suite of representative arithmetic circuits, including multipliers and multiply-accumulate units. Experiments show substantial improvements over state-of-the-art L2O and conventional methods, achieving up to 27.05% gain in hypervolume of area-delay Pareto frontiers, a standard metric for evaluating multi-objective optimization performance.


Enhanced Expert Merging for Mixture-of-Experts in Graph Foundation Models

Neural Information Processing Systems

Graph foundation models (GFMs) have emerged as a promising paradigm for learning transferable knowledge across diverse graph-structured data. The inherent heterogeneity in features and graph structures poses significant challenges for building scalable and generalizable GFMs. Existing research has employed mixture-of-experts (MoE) models to handle the challenges, assigning the most suitable expert to each graph. Despite this, the underlying mechanisms of MoE within the context of GFMs remain insufficiently explored. In this work, we conduct an in-depth experimental study on an MoE-based GFM and uncover an intriguing finding: the experts ranked second and third assigned by the router perform better than the top-ranked expert.


VQ-Seg: Vector-Quantized Token Perturbation for Semi-Supervised Medical Image Segmentation

Neural Information Processing Systems

Consistency learning with feature perturbation is a widely used strategy in semisupervised medical image segmentation. However, many existing perturbation methods rely on dropout, and thus require a careful manual tuning of the dropout rate, which is a sensitive hyperparameter and often difficult to optimize and may lead to suboptimal regularization. To overcome this limitation, we propose VQ-Seg, the first approach to employ vector quantization (VQ) to discretize the feature space and introduce a novel and controllable Quantized Perturbation Module (QPM) that replaces dropout.


Tight High-Probability Bounds for Nonconvex Heavy-Tailed Scenario under Weaker Assumptions

Neural Information Processing Systems

Gradient clipping is increasingly important in centralized learning (CL) and federated learning (FL). Many works focus on its optimization properties under strong assumptions involving Gaussian noise and standard smoothness. However, practical machine learning tasks often only satisfy weaker conditions, such as heavy-tailed noise and (L0,L1)-smoothness. To bridge this gap, we propose a high-probability analysis for clipped Stochastic Gradient Descent (SGD) under these weaker assumptions. Our findings show a better convergence rate than existing ones can be achieved, and our high-probability analysis does not rely on the bounded gradient assumption. Moreover, we extend our analysis to FL, where a gap remains between expected and high-probability convergence, which the naive clipped SGD can not bridge. Thus, we design a new Federated Clipped Batched Gradient (FedCBG) algorithm, and prove the convergence and generalization bounds with high probability for the first time. Our analysis reveals the trade-offs between the optimization and generalization performance. Extensive experiments demonstrate that FedCBG can generalize better to unseen client distributions than state-of-the-art baselines.


Model Inversion with Layer-Specific Modeling and Alignment for Data-Free Continual Learning

Neural Information Processing Systems

Continual learning (CL) aims to incrementally train a model to a sequence of tasks while maintaining performance on previously seen ones. Despite mitigating forgetting, data storage and replay are often infeasible due to privacy or security constraints and are impractical for arbitrary pre-trained models. Data-free or examplar-free CL aims to continually update models with new tasks without storing previous data. In addition to regularizing updates, we employ model inversion to synthesize data from the trained model, anchoring learned knowledge through replay without retaining old data. However, model inversion in predictive models faces two key challenges.


EchoShot: Multi-Shot Portrait Video Generation

Neural Information Processing Systems

Video diffusion models substantially boost the productivity of artistic workflows with high-quality portrait video generative capacity. However, prevailing pipelines are primarily constrained to single-shot creation, while real-world applications urge multiple shots with identity consistency and flexible content controllability. In this work, we propose EchoShot, a native and scalable multi-shot framework for portrait customization built upon a foundation video diffusion model. To start with, we propose shot-aware position embedding mechanisms within the video diffusion transformer architecture to model inter-shot variations and establish intricate correspondence between multi-shot visual content and their textual descriptions. This simple yet effective design enables direct training on multi-shot video data without introducing additional computational overhead. To facilitate model training within multi-shot scenarios, we construct PortraitGala, a large-scale and high-fidelity human-centric video dataset featuring cross-shot identity consistency and fine-grained captions such as facial attributes, outfits, and dynamic motions. To further enhance applicability, we extend EchoShot to perform reference image-based personalized multi-shot generation and long video synthesis with infinite shot counts. Extensive evaluations demonstrate that EchoShot achieves superior identity consistency as well as attribute-level controllability in multi-shot portrait video generation. Notably, the proposed framework demonstrates potential as a foundational paradigm for general multi-shot video modeling.