Abstract:Understanding brain disorders is crucial for accurate clinical diagnosis and treatment. Recent advances in Multimodal Large Language Models (MLLMs) offer a promising approach to interpreting medical images with the support of text descriptions. However, previous research has primarily focused on 2D medical images, leaving richer spatial information of 3D images under-explored, and single-modality-based methods are limited by overlooking the critical clinical information contained in other modalities. To address this issue, this paper proposes Brain-Adapter, a novel approach that incorporates an extra bottleneck layer to learn new knowledge and instill it into the original pre-trained knowledge. The major idea is to incorporate a lightweight bottleneck layer to train fewer parameters while capturing essential information and utilize a Contrastive Language-Image Pre-training (CLIP) strategy to align multimodal data within a unified representation space. Extensive experiments demonstrated the effectiveness of our approach in integrating multimodal data to significantly improve the diagnosis accuracy without high computational costs, highlighting the potential to enhance real-world diagnostic workflows.
Abstract:Dynamic functional connectivity (dFC) using resting-state functional magnetic resonance imaging (rs-fMRI) is an advanced technique for capturing the dynamic changes of neural activities, and can be very useful in the studies of brain diseases such as Alzheimer's disease (AD). Yet, existing studies have not fully leveraged the sequential information embedded within dFC that can potentially provide valuable information when identifying brain conditions. In this paper, we propose a novel framework that jointly learns the embedding of both spatial and temporal information within dFC based on the transformer architecture. Specifically, we first construct dFC networks from rs-fMRI data through a sliding window strategy. Then, we simultaneously employ a temporal block and a spatial block to capture higher-order representations of dynamic spatio-temporal dependencies, via mapping them into an efficient fused feature representation. To further enhance the robustness of these feature representations by reducing the dependency on labeled data, we also introduce a contrastive learning strategy to manipulate different brain states. Experimental results on 345 subjects with 570 scans from the Alzheimer's Disease Neuroimaging Initiative (ADNI) demonstrate the superiority of our proposed method for MCI (Mild Cognitive Impairment, the prodromal stage of AD) prediction, highlighting its potential for early identification of AD.
Abstract:Medical video generation has transformative potential for enhancing surgical understanding and pathology insights through precise and controllable visual representations. However, current models face limitations in controllability and authenticity. To bridge this gap, we propose SurgSora, a motion-controllable surgical video generation framework that uses a single input frame and user-controllable motion cues. SurgSora consists of three key modules: the Dual Semantic Injector (DSI), which extracts object-relevant RGB and depth features from the input frame and integrates them with segmentation cues to capture detailed spatial features of complex anatomical structures; the Decoupled Flow Mapper (DFM), which fuses optical flow with semantic-RGB-D features at multiple scales to enhance temporal understanding and object spatial dynamics; and the Trajectory Controller (TC), which allows users to specify motion directions and estimates sparse optical flow, guiding the video generation process. The fused features are used as conditions for a frozen Stable Diffusion model to produce realistic, temporally coherent surgical videos. Extensive evaluations demonstrate that SurgSora outperforms state-of-the-art methods in controllability and authenticity, showing its potential to advance surgical video generation for medical education, training, and research.
Abstract:Urban flow prediction is a classic spatial-temporal forecasting task that estimates the amount of future traffic flow for a given location. Though models represented by Spatial-Temporal Graph Neural Networks (STGNNs) have established themselves as capable predictors, they tend to suffer from distribution shifts that are common with the urban flow data due to the dynamics and unpredictability of spatial-temporal events. Unfortunately, in spatial-temporal applications, the dynamic environments can hardly be quantified via a fixed number of parameters, whereas learning time- and location-specific environments can quickly become computationally prohibitive. In this paper, we propose a novel framework named Memory-enhanced Invariant Prompt learning (MIP) for urban flow prediction under constant distribution shifts. Specifically, MIP is equipped with a learnable memory bank that is trained to memorize the causal features within the spatial-temporal graph. By querying a trainable memory bank that stores the causal features, we adaptively extract invariant and variant prompts (i.e., patterns) for a given location at every time step. Then, instead of intervening the raw data based on simulated environments, we directly perform intervention on variant prompts across space and time. With the intervened variant prompts in place, we use invariant learning to minimize the variance of predictions, so as to ensure that the predictions are only made with invariant features. With extensive comparative experiments on two public urban flow datasets, we thoroughly demonstrate the robustness of MIP against OOD data.
Abstract:Among various spatio-temporal prediction tasks, epidemic forecasting plays a critical role in public health management. Recent studies have demonstrated the strong potential of spatio-temporal graph neural networks (STGNNs) in extracting heterogeneous spatio-temporal patterns for epidemic forecasting. However, most of these methods bear an over-simplified assumption that two locations (e.g., cities) with similar observed features in previous time steps will develop similar infection numbers in the future. In fact, for any epidemic disease, there exists strong heterogeneity of its intrinsic evolution mechanisms across geolocation and time, which can eventually lead to diverged infection numbers in two ``similar'' locations. However, such mechanistic heterogeneity is non-trivial to be captured due to the existence of numerous influencing factors like medical resource accessibility, virus mutations, mobility patterns, etc., most of which are spatio-temporal yet unreachable or even unobservable. To address this challenge, we propose a Heterogeneous Epidemic-Aware Transmission Graph Neural Network (HeatGNN), a novel epidemic forecasting framework. By binding the epidemiology mechanistic model into a GNN, HeatGNN learns epidemiology-informed location embeddings of different locations that reflect their own transmission mechanisms over time. With the time-varying mechanistic affinity graphs computed with the epidemiology-informed location embeddings, a heterogeneous transmission graph network is designed to encode the mechanistic heterogeneity among locations, providing additional predictive signals to facilitate accurate forecasting. Experiments on three benchmark datasets have revealed that HeatGNN outperforms various strong baselines. Moreover, our efficiency analysis verifies the real-world practicality of HeatGNN on datasets of different sizes.
Abstract:With the increasing computation of training graph neural networks (GNNs) on large-scale graphs, graph condensation (GC) has emerged as a promising solution to synthesize a compact, substitute graph of the large-scale original graph for efficient GNN training. However, existing GC methods predominantly employ classification as the surrogate task for optimization, thus excessively relying on node labels and constraining their utility in label-sparsity scenarios. More critically, this surrogate task tends to overfit class-specific information within the condensed graph, consequently restricting the generalization capabilities of GC for other downstream tasks. To address these challenges, we introduce Contrastive Graph Condensation (CTGC), which adopts a self-supervised surrogate task to extract critical, causal information from the original graph and enhance the cross-task generalizability of the condensed graph. Specifically, CTGC employs a dual-branch framework to disentangle the generation of the node attributes and graph structures, where a dedicated structural branch is designed to explicitly encode geometric information through nodes' positional embeddings. By implementing an alternating optimization scheme with contrastive loss terms, CTGC promotes the mutual enhancement of both branches and facilitates high-quality graph generation through the model inversion technique. Extensive experiments demonstrate that CTGC excels in handling various downstream tasks with a limited number of labels, consistently outperforming state-of-the-art GC methods.
Abstract:Peptides, short chains of amino acids, interact with target proteins, making them a unique class of protein-based therapeutics for treating human diseases. Recently, deep generative models have shown great promise in peptide generation. However, several challenges remain in designing effective peptide binders. First, not all residues contribute equally to peptide-target interactions. Second, the generated peptides must adopt valid geometries due to the constraints of peptide bonds. Third, realistic tasks for peptide drug development are still lacking. To address these challenges, we introduce PepHAR, a hot-spot-driven autoregressive generative model for designing peptides targeting specific proteins. Building on the observation that certain hot spot residues have higher interaction potentials, we first use an energy-based density model to fit and sample these key residues. Next, to ensure proper peptide geometry, we autoregressively extend peptide fragments by estimating dihedral angles between residue frames. Finally, we apply an optimization process to iteratively refine fragment assembly, ensuring correct peptide structures. By combining hot spot sampling with fragment-based extension, our approach enables de novo peptide design tailored to a target protein and allows the incorporation of key hot spot residues into peptide scaffolds. Extensive experiments, including peptide design and peptide scaffold generation, demonstrate the strong potential of PepHAR in computational peptide binder design.
Abstract:The rapid spread of rumors on social media has posed significant challenges to maintaining public trust and information integrity. Since an information cascade process is essentially a propagation tree, recent rumor detection models leverage graph neural networks to additionally capture information propagation patterns, thus outperforming text-only solutions. Given the variations in topics and social impact of the root node, different source information naturally has distinct outreach capabilities, resulting in different heights of propagation trees. This variation, however, impedes the data-driven design of existing graph-based rumor detectors. Given a shallow propagation tree with limited interactions, it is unlikely for graph-based approaches to capture sufficient cascading patterns, questioning their ability to handle less popular news or early detection needs. In contrast, a deep propagation tree is prone to noisy user responses, and this can in turn obfuscate the predictions. In this paper, we propose a novel Epidemiology-informed Network (EIN) that integrates epidemiological knowledge to enhance performance by overcoming data-driven methods sensitivity to data quality. Meanwhile, to adapt epidemiology theory to rumor detection, it is expected that each users stance toward the source information will be annotated. To bypass the costly and time-consuming human labeling process, we take advantage of large language models to generate stance labels, facilitating optimization objectives for learning epidemiology-informed representations. Our experimental results demonstrate that the proposed EIN not only outperforms state-of-the-art methods on real-world datasets but also exhibits enhanced robustness across varying tree depths.
Abstract:Content-based Recommender Systems (CRSs) play a crucial role in shaping user experiences in e-commerce, online advertising, and personalized recommendations. However, due to the vast amount of categorical features, the embedding tables used in CRS models pose a significant storage bottleneck for real-world deployment, especially on resource-constrained devices. To address this problem, various embedding pruning methods have been proposed, but most existing ones require expensive retraining steps for each target parameter budget, leading to enormous computation costs. In reality, this computation cost is a major hurdle in real-world applications with diverse storage requirements, such as federated learning and streaming settings. In this paper, we propose Shapley Value-guided Embedding Reduction (Shaver) as our response. With Shaver, we view the problem from a cooperative game perspective, and quantify each embedding parameter's contribution with Shapley values to facilitate contribution-based parameter pruning. To address the inherently high computation costs of Shapley values, we propose an efficient and unbiased method to estimate Shapley values of a CRS's embedding parameters. Moreover, in the pruning stage, we put forward a field-aware codebook to mitigate the information loss in the traditional zero-out treatment. Through extensive experiments on three real-world datasets, Shaver has demonstrated competitive performance with lightweight recommendation models across various parameter budgets. The source code is available at https://anonymous.4open.science/r/shaver-E808
Abstract:Recommender systems often rely on large embedding tables that map users and items to dense vectors of uniform size, leading to substantial memory consumption and inefficiencies. This is particularly problematic in memory-constrained environments like mobile and Web of Things (WoT) applications, where scalability and real-time performance are critical. Various research efforts have sought to address these issues. Although embedding pruning methods utilizing Dynamic Sparse Training (DST) stand out due to their low training and inference costs, consistent sparsity, and end-to-end differentiability, they face key challenges. Firstly, they typically initializes the mask matrix, which is used to prune redundant parameters, with random uniform sparse initialization. This strategy often results in suboptimal performance as it creates unstructured and inefficient connections. Secondly, they tend to favor the users/items sampled in the single batch immediately before weight exploration when they reactivate pruned parameters with large gradient magnitudes, which does not necessarily improve the overall performance. Thirdly, while they use sparse weights during forward passes, they still need to compute dense gradients during backward passes. In this paper, we propose SparseRec, an lightweight embedding method based on DST, to address these issues. Specifically, SparseRec initializes the mask matrix using Nonnegative Matrix Factorization. It accumulates gradients to identify the inactive parameters that can better improve the model performance after activation. Furthermore, it avoids dense gradients during backpropagation by sampling a subset of important vectors. Gradients are calculated only for parameters in this subset, thus maintaining sparsity during training in both forward and backward passes.