FLASH: Flexible Learning of Adaptive Sampling from History in Temporal Graph Neural Networks

Aggregating temporal signals from historic interactions is a key step in future link prediction on dynamic graphs. However, incorporating long histories is resource-intensive. Hence, temporal graph neural networks (TGNNs) often rely on historical neighbors sampling heuristics such as uniform sampling or recent neighbors selection. These heuristics are static and fail to adapt to the underlying graph structure. We introduce FLASH, a learnable and graph-adaptive neighborhood selection mechanism that generalizes existing heuristics. FLASH integrates seamlessly into TGNNs and is trained end-to-end using a self-supervised ranking loss. We provide theoretical evidence that commonly used heuristics hinders TGNNs performance, motivating our design. Extensive experiments across multiple benchmarks demonstrate consistent and significant performance improvements for TGNNs equipped with FLASH.

SurvSurf: a partially monotonic neural network for first-hitting time prediction of intermittently observed discrete and continuous sequential events

We propose a neural-network based survival model (SurvSurf) specifically designed for direct and simultaneous probabilistic prediction of the first hitting time of sequential events from baseline. Unlike existing models, SurvSurf is theoretically guaranteed to never violate the monotonic relationship between the cumulative incidence functions of sequential events, while allowing nonlinear influence from predictors. It also incorporates implicit truths for unobserved intermediate events in model fitting, and supports both discrete and continuous time and events. We also identified a variant of the Integrated Brier Score (IBS) that showed robust correlation with the mean squared error (MSE) between the true and predicted probabilities by accounting for implied truths about the missing intermediate events. We demonstrated the superiority of SurvSurf compared to modern and traditional predictive survival models in two simulated datasets and two real-world datasets, using MSE, the more robust IBS and by measuring the extent of monotonicity violation.

Towards Efficient Training of Graph Neural Networks: A Multiscale Approach

Graph Neural Networks (GNNs) have emerged as a powerful tool for learning and inferring from graph-structured data, and are widely used in a variety of applications, often considering large amounts of data and large graphs. However, training on such data requires large memory and extensive computations. In this paper, we introduce a novel framework for efficient multiscale training of GNNs, designed to integrate information across multiscale representations of a graph. Our approach leverages a hierarchical graph representation, taking advantage of coarse graph scales in the training process, where each coarse scale graph has fewer nodes and edges. Based on this approach, we propose a suite of GNN training methods: such as coarse-to-fine, sub-to-full, and multiscale gradient computation. We demonstrate the effectiveness of our methods on various datasets and learning tasks.

D2SA: Dual-Stage Distribution and Slice Adaptation for Efficient Test-Time Adaptation in MRI Reconstruction

Variations in Magnetic resonance imaging (MRI) scanners and acquisition protocols cause distribution shifts that degrade reconstruction performance on unseen data. Test-time adaptation (TTA) offers a promising solution to address this discrepancies. However, previous single-shot TTA approaches are inefficient due to repeated training and suboptimal distributional models. Self-supervised learning methods are also limited by scarce date scenarios. To address these challenges, we propose a novel Dual-Stage Distribution and Slice Adaptation (D2SA) via MRI implicit neural representation (MR-INR) to improve MRI reconstruction performance and efficiency, which features two stages. In the first stage, an MR-INR branch performs patient-wise distribution adaptation by learning shared representations across slices and modelling patient-specific shifts with mean and variance adjustments. In the second stage, single-slice adaptation refines the output from frozen convolutional layers with a learnable anisotropic diffusion module, preventing over-smoothing and reducing computation. Experiments across four MRI distribution shifts demonstrate that our method can integrate well with various self-supervised learning (SSL) framework, improving performance and accelerating convergence under diverse conditions.

Enhanced Denoising and Convergent Regularisation Using Tweedie Scaling

The inherent ill-posed nature of image reconstruction problems, due to limitations in the physical acquisition process, is typically addressed by introducing a regularisation term that incorporates prior knowledge about the underlying image. The iterative framework of Plug-and-Play methods, specifically designed for tackling such inverse problems, achieves state-of-the-art performance by replacing the regularisation with a generic denoiser, which may be parametrised by a neural network architecture. However, these deep learning approaches suffer from a critical limitation: the absence of a control parameter to modulate the regularisation strength, which complicates the design of a convergent regularisation. To address this issue, this work introduces a novel scaling method that explicitly integrates and adjusts the strength of regularisation. The scaling parameter enhances interpretability by reflecting the quality of the denoiser's learning process, and also systematically improves its optimisation. Furthermore, the proposed approach ensures that the resulting family of regularisations is provably stable and convergent.

Implicit U-KAN2.0: Dynamic, Efficient and Interpretable Medical Image Segmentation

Image segmentation is a fundamental task in both image analysis and medical applications. State-of-the-art methods predominantly rely on encoder-decoder architectures with a U-shaped design, commonly referred to as U-Net. Recent advancements integrating transformers and MLPs improve performance but still face key limitations, such as poor interpretability, difficulty handling intrinsic noise, and constrained expressiveness due to discrete layer structures, often lacking a solid theoretical foundation.In this work, we introduce Implicit U-KAN 2.0, a novel U-Net variant that adopts a two-phase encoder-decoder structure. In the SONO phase, we use a second-order neural ordinary differential equation (NODEs), called the SONO block, for a more efficient, expressive, and theoretically grounded modeling approach. In the SONO-MultiKAN phase, we integrate the second-order NODEs and MultiKAN layer as the core computational block to enhance interpretability and representation power. Our contributions are threefold. First, U-KAN 2.0 is an implicit deep neural network incorporating MultiKAN and second order NODEs, improving interpretability and performance while reducing computational costs. Second, we provide a theoretical analysis demonstrating that the approximation ability of the MultiKAN block is independent of the input dimension. Third, we conduct extensive experiments on a variety of 2D and a single 3D dataset, demonstrating that our model consistently outperforms existing segmentation networks.

DiTASK: Multi-Task Fine-Tuning with Diffeomorphic Transformations

Pre-trained Vision Transformers now serve as powerful tools for computer vision. Yet, efficiently adapting them for multiple tasks remains a challenge that arises from the need to modify the rich hidden representations encoded by the learned weight matrices, without inducing interference between tasks. Current parameter-efficient methods like LoRA, which apply low-rank updates, force tasks to compete within constrained subspaces, ultimately degrading performance. We introduce DiTASK a novel Diffeomorphic Multi-Task Fine-Tuning approach that maintains pre-trained representations by preserving weight matrix singular vectors, while enabling task-specific adaptations through neural diffeomorphic transformations of the singular values. By following this approach, DiTASK enables both shared and task-specific feature modulations with minimal added parameters. Our theoretical analysis shows that DITASK achieves full-rank updates during optimization, preserving the geometric structure of pre-trained features, and establishing a new paradigm for efficient multi-task learning (MTL). Our experiments on PASCAL MTL and NYUD show that DiTASK achieves state-of-the-art performance across four dense prediction tasks, using 75% fewer parameters than existing methods.

Generative Unordered Flow for Set-Structured Data Generation

Flow-based generative models have demonstrated promising performance across a broad spectrum of data modalities (e.g., image and text). However, there are few works exploring their extension to unordered data (e.g., spatial point set), which is not trivial because previous models are mostly designed for vector data that are naturally ordered. In this paper, we present unordered flow, a type of flow-based generative model for set-structured data generation. Specifically, we convert unordered data into an appropriate function representation, and learn the probability measure of such representations through function-valued flow matching. For the inverse map from a function representation to unordered data, we propose a method similar to particle filtering, with Langevin dynamics to first warm-up the initial particles and gradient-based search to update them until convergence. We have conducted extensive experiments on multiple real-world datasets, showing that our unordered flow model is very effective in generating set-structured data and significantly outperforms previous baselines.

Inverse Evolution Data Augmentation for Neural PDE Solvers

Neural networks have emerged as promising tools for solving partial differential equations (PDEs), particularly through the application of neural operators. Training neural operators typically requires a large amount of training data to ensure accuracy and generalization. In this paper, we propose a novel data augmentation method specifically designed for training neural operators on evolution equations. Our approach utilizes insights from inverse processes of these equations to efficiently generate data from random initialization that are combined with original data. To further enhance the accuracy of the augmented data, we introduce high-order inverse evolution schemes. These schemes consist of only a few explicit computation steps, yet the resulting data pairs can be proven to satisfy the corresponding implicit numerical schemes. In contrast to traditional PDE solvers that require small time steps or implicit schemes to guarantee accuracy, our data augmentation method employs explicit schemes with relatively large time steps, thereby significantly reducing computational costs. Accuracy and efficacy experiments confirm the effectiveness of our approach. Additionally, we validate our approach through experiments with the Fourier Neural Operator and UNet on three common evolution equations that are Burgers' equation, the Allen-Cahn equation and the Navier-Stokes equation. The results demonstrate a significant improvement in the performance and robustness of the Fourier Neural Operator when coupled with our inverse evolution data augmentation method.

Towards Foundation Models on Graphs: An Analysis on Cross-Dataset Transfer of Pretrained GNNs

To develop a preliminary understanding towards Graph Foundation Models, we study the extent to which pretrained Graph Neural Networks can be applied across datasets, an effort requiring to be agnostic to dataset-specific features and their encodings. We build upon a purely structural pretraining approach and propose an extension to capture feature information while still being feature-agnostic. We evaluate pretrained models on downstream tasks for varying amounts of training samples and choices of pretraining datasets. Our preliminary results indicate that embeddings from pretrained models improve generalization only with enough downstream data points and in a degree which depends on the quantity and properties of pretraining data. Feature information can lead to improvements, but currently requires some similarities between pretraining and downstream feature spaces.