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Oct 16

Spatial-Temporal Knowledge Distillation for Takeaway Recommendation

The takeaway recommendation system aims to recommend users' future takeaway purchases based on their historical purchase behaviors, thereby improving user satisfaction and boosting merchant sales. Existing methods focus on incorporating auxiliary information or leveraging knowledge graphs to alleviate the sparsity issue of user purchase sequences. However, two main challenges limit the performance of these approaches: (1) capturing dynamic user preferences on complex geospatial information and (2) efficiently integrating spatial-temporal knowledge from both graphs and sequence data with low computational costs. In this paper, we propose a novel spatial-temporal knowledge distillation model for takeaway recommendation (STKDRec) based on the two-stage training process. Specifically, during the first pre-training stage, a spatial-temporal knowledge graph (STKG) encoder is trained to extract high-order spatial-temporal dependencies and collaborative associations from the STKG. During the second spatial-temporal knowledge distillation (STKD) stage, a spatial-temporal Transformer (ST-Transformer) is employed to comprehensively model dynamic user preferences on various types of fine-grained geospatial information from a sequential perspective. Furthermore, the STKD strategy is introduced to transfer graph-based spatial-temporal knowledge to the ST-Transformer, facilitating the adaptive fusion of rich knowledge derived from both the STKG and sequence data while reducing computational overhead. Extensive experiments on three real-world datasets show that STKDRec significantly outperforms the state-of-the-art baselines.

  • 6 authors
·
Dec 21, 2024

Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

In the rapidly evolving field of metabolic engineering, the quest for efficient and precise gene target identification for metabolite production enhancement presents significant challenges. Traditional approaches, whether knowledge-based or model-based, are notably time-consuming and labor-intensive, due to the vast scale of research literature and the approximation nature of genome-scale metabolic model (GEM) simulations. Therefore, we propose a new task, Gene-Metabolite Association Prediction based on metabolic graphs, to automate the process of candidate gene discovery for a given pair of metabolite and candidate-associated genes, as well as presenting the first benchmark containing 2474 metabolites and 1947 genes of two commonly used microorganisms Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is challenging due to the incompleteness of the metabolic graphs and the heterogeneity among distinct metabolisms. To overcome these limitations, we propose an Interactive Knowledge Transfer mechanism based on Metabolism Graph (IKT4Meta), which improves the association prediction accuracy by integrating the knowledge from different metabolism graphs. First, to build a bridge between two graphs for knowledge transfer, we utilize Pretrained Language Models (PLMs) with external knowledge of genes and metabolites to help generate inter-graph links, significantly alleviating the impact of heterogeneity. Second, we propagate intra-graph links from different metabolic graphs using inter-graph links as anchors. Finally, we conduct the gene-metabolite association prediction based on the enriched metabolism graphs, which integrate the knowledge from multiple microorganisms. Experiments on both types of organisms demonstrate that our proposed methodology outperforms baselines by up to 12.3% across various link prediction frameworks.

  • 6 authors
·
Oct 24, 2024

Unified Multi-Domain Graph Pre-training for Homogeneous and Heterogeneous Graphs via Domain-Specific Expert Encoding

Graph pre-training has achieved remarkable success in recent years, delivering transferable representations for downstream adaptation. However, most existing methods are designed for either homogeneous or heterogeneous graphs, thereby hindering unified graph modeling across diverse graph types. This separation contradicts real-world applications, where mixed homogeneous and heterogeneous graphs are ubiquitous, and distribution shifts between upstream pre-training and downstream deployment are common. In this paper, we empirically demonstrate that a balanced mixture of homogeneous and heterogeneous graph pre-training benefits downstream tasks and propose a unified multi-domain Graph Pre-training method across Homogeneous and Heterogeneous graphs (GPH^{2}). To address the lack of a unified encoder for homogeneous and heterogeneous graphs, we propose a Unified Multi-View Graph Construction that simultaneously encodes both without explicit graph-type-specific designs. To cope with the increased cross-domain distribution discrepancies arising from mixed graphs, we introduce domain-specific expert encoding. Each expert is independently pre-trained on a single graph to capture domain-specific knowledge, thereby shielding the pre-training encoder from the adverse effects of cross-domain discrepancies. For downstream tasks, we further design a Task-oriented Expert Fusion Strategy that adaptively integrates multiple experts based on their discriminative strengths. Extensive experiments on mixed graphs demonstrate that GPH^{2} enables stable transfer across graph types and domains, significantly outperforming existing graph pre-training methods.

  • 7 authors
·
Feb 13

Graph Foundation Models: A Comprehensive Survey

Graph-structured data pervades domains such as social networks, biological systems, knowledge graphs, and recommender systems. While foundation models have transformed natural language processing, vision, and multimodal learning through large-scale pretraining and generalization, extending these capabilities to graphs -- characterized by non-Euclidean structures and complex relational semantics -- poses unique challenges and opens new opportunities. To this end, Graph Foundation Models (GFMs) aim to bring scalable, general-purpose intelligence to structured data, enabling broad transfer across graph-centric tasks and domains. This survey provides a comprehensive overview of GFMs, unifying diverse efforts under a modular framework comprising three key components: backbone architectures, pretraining strategies, and adaptation mechanisms. We categorize GFMs by their generalization scope -- universal, task-specific, and domain-specific -- and review representative methods, key innovations, and theoretical insights within each category. Beyond methodology, we examine theoretical foundations including transferability and emergent capabilities, and highlight key challenges such as structural alignment, heterogeneity, scalability, and evaluation. Positioned at the intersection of graph learning and general-purpose AI, GFMs are poised to become foundational infrastructure for open-ended reasoning over structured data. This survey consolidates current progress and outlines future directions to guide research in this rapidly evolving field. Resources are available at https://github.com/Zehong-Wang/Awesome-Foundation-Models-on-Graphs.

  • 19 authors
·
May 20, 2025

DWIE: an entity-centric dataset for multi-task document-level information extraction

This paper presents DWIE, the 'Deutsche Welle corpus for Information Extraction', a newly created multi-task dataset that combines four main Information Extraction (IE) annotation subtasks: (i) Named Entity Recognition (NER), (ii) Coreference Resolution, (iii) Relation Extraction (RE), and (iv) Entity Linking. DWIE is conceived as an entity-centric dataset that describes interactions and properties of conceptual entities on the level of the complete document. This contrasts with currently dominant mention-driven approaches that start from the detection and classification of named entity mentions in individual sentences. Further, DWIE presented two main challenges when building and evaluating IE models for it. First, the use of traditional mention-level evaluation metrics for NER and RE tasks on entity-centric DWIE dataset can result in measurements dominated by predictions on more frequently mentioned entities. We tackle this issue by proposing a new entity-driven metric that takes into account the number of mentions that compose each of the predicted and ground truth entities. Second, the document-level multi-task annotations require the models to transfer information between entity mentions located in different parts of the document, as well as between different tasks, in a joint learning setting. To realize this, we propose to use graph-based neural message passing techniques between document-level mention spans. Our experiments show an improvement of up to 5.5 F1 percentage points when incorporating neural graph propagation into our joint model. This demonstrates DWIE's potential to stimulate further research in graph neural networks for representation learning in multi-task IE. We make DWIE publicly available at https://github.com/klimzaporojets/DWIE.

  • 4 authors
·
Sep 26, 2020

Accelerating Dependency Graph Learning from Heterogeneous Categorical Event Streams via Knowledge Transfer

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a well-trained dependency graph from a source domain and an immature dependency graph from a target domain, how can we extract the entity and dependency knowledge from the source to enhance the target? One way is to directly apply a mature dependency graph learned from a source domain to the target domain. But due to the domain variety problem, directly using the source dependency graph often can not achieve good performance. Traditional transfer learning methods mainly focus on numerical data and are not applicable. In this paper, we propose ACRET, a knowledge transfer based model for accelerating dependency graph learning from heterogeneous categorical event streams. In particular, we first propose an entity estimation model to filter out irrelevant entities from the source domain based on entity embedding and manifold learning. Only the entities with statistically high correlations are transferred to the target domain. On the surviving entities, we propose a dependency construction model for constructing the unbiased dependency relationships by solving a two-constraint optimization problem. The experimental results on synthetic and real-world datasets demonstrate the effectiveness and efficiency of ACRET. We also apply ACRET to a real enterprise security system for intrusion detection. Our method is able to achieve superior detection performance at least 20 days lead lag time in advance with more than 70% accuracy.

  • 5 authors
·
Aug 25, 2017

Graph schemas as abstractions for transfer learning, inference, and planning

Transferring latent structure from one environment or problem to another is a mechanism by which humans and animals generalize with very little data. Inspired by cognitive and neurobiological insights, we propose graph schemas as a mechanism of abstraction for transfer learning. Graph schemas start with latent graph learning where perceptually aliased observations are disambiguated in the latent space using contextual information. Latent graph learning is also emerging as a new computational model of the hippocampus to explain map learning and transitive inference. Our insight is that a latent graph can be treated as a flexible template -- a schema -- that models concepts and behaviors, with slots that bind groups of latent nodes to the specific observations or groundings. By treating learned latent graphs (schemas) as prior knowledge, new environments can be quickly learned as compositions of schemas and their newly learned bindings. We evaluate graph schemas on two previously published challenging tasks: the memory & planning game and one-shot StreetLearn, which are designed to test rapid task solving in novel environments. Graph schemas can be learned in far fewer episodes than previous baselines, and can model and plan in a few steps in novel variations of these tasks. We also demonstrate learning, matching, and reusing graph schemas in more challenging 2D and 3D environments with extensive perceptual aliasing and size variations, and show how different schemas can be composed to model larger and more complex environments. To summarize, our main contribution is a unified system, inspired and grounded in cognitive science, that facilitates rapid transfer learning of new environments using schemas via map-induction and composition that handles perceptual aliasing.

  • 9 authors
·
Feb 14, 2023

Graph Adaptive Semantic Transfer for Cross-domain Sentiment Classification

Cross-domain sentiment classification (CDSC) aims to use the transferable semantics learned from the source domain to predict the sentiment of reviews in the unlabeled target domain. Existing studies in this task attach more attention to the sequence modeling of sentences while largely ignoring the rich domain-invariant semantics embedded in graph structures (i.e., the part-of-speech tags and dependency relations). As an important aspect of exploring characteristics of language comprehension, adaptive graph representations have played an essential role in recent years. To this end, in the paper, we aim to explore the possibility of learning invariant semantic features from graph-like structures in CDSC. Specifically, we present Graph Adaptive Semantic Transfer (GAST) model, an adaptive syntactic graph embedding method that is able to learn domain-invariant semantics from both word sequences and syntactic graphs. More specifically, we first raise a POS-Transformer module to extract sequential semantic features from the word sequences as well as the part-of-speech tags. Then, we design a Hybrid Graph Attention (HGAT) module to generate syntax-based semantic features by considering the transferable dependency relations. Finally, we devise an Integrated aDaptive Strategy (IDS) to guide the joint learning process of both modules. Extensive experiments on four public datasets indicate that GAST achieves comparable effectiveness to a range of state-of-the-art models.

  • 8 authors
·
May 18, 2022

AutoTransfer: AutoML with Knowledge Transfer -- An Application to Graph Neural Networks

AutoML has demonstrated remarkable success in finding an effective neural architecture for a given machine learning task defined by a specific dataset and an evaluation metric. However, most present AutoML techniques consider each task independently from scratch, which requires exploring many architectures, leading to high computational cost. Here we propose AutoTransfer, an AutoML solution that improves search efficiency by transferring the prior architectural design knowledge to the novel task of interest. Our key innovation includes a task-model bank that captures the model performance over a diverse set of GNN architectures and tasks, and a computationally efficient task embedding that can accurately measure the similarity among different tasks. Based on the task-model bank and the task embeddings, we estimate the design priors of desirable models of the novel task, by aggregating a similarity-weighted sum of the top-K design distributions on tasks that are similar to the task of interest. The computed design priors can be used with any AutoML search algorithm. We evaluate AutoTransfer on six datasets in the graph machine learning domain. Experiments demonstrate that (i) our proposed task embedding can be computed efficiently, and that tasks with similar embeddings have similar best-performing architectures; (ii) AutoTransfer significantly improves search efficiency with the transferred design priors, reducing the number of explored architectures by an order of magnitude. Finally, we release GNN-Bank-101, a large-scale dataset of detailed GNN training information of 120,000 task-model combinations to facilitate and inspire future research.

  • 4 authors
·
Mar 14, 2023

GraphShaper: Geometry-aware Alignment for Improving Transfer Learning in Text-Attributed Graphs

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

  • 9 authors
·
Oct 13, 2025

RTL++: Graph-enhanced LLM for RTL Code Generation

As hardware design complexity escalates, there is an urgent need for advanced automation in electronic design automation (EDA). Traditional register transfer level (RTL) design methods are manual, time-consuming, and prone to errors. While commercial (instruction-tuned) large language models (LLMs) shows promising performance for automation, they pose security and privacy concerns. Open-source models offer alternatives; however, they frequently fall short in quality/correctness, largely due to limited, high-quality RTL code data essential for effective training and generalization. This paper proposes RTL++, a first-of-its-kind LLM-assisted method for RTL code generation that utilizes graph representations of code structures to enhance the quality of generated code. By encoding RTL code into a textualized control flowgraphs (CFG) and data flow graphs (DFG), RTL++ captures the inherent hierarchy, dependencies, and relationships within the code. This structured graph-based approach enhances the context available to LLMs, enabling them to better understand and generate instructions. By focusing on data generation through graph representations, RTL++ addresses the limitations of previous approaches that rely solely on code and suffer from lack of diversity. Experimental results demonstrate that RTL++ outperforms state-of-the-art models fine-tuned for RTL generation, as evaluated using the VerilogEval benchmark's Pass@1/5/10 metric, as well as the RTLLM1.1 model, which highlight the effectiveness of graph-enhanced context in advancing the capabilities of LLM-assisted RTL code generation.

  • 3 authors
·
May 10, 2025

Contrastive Graph Modeling for Cross-Domain Few-Shot Medical Image Segmentation

Cross-domain few-shot medical image segmentation (CD-FSMIS) offers a promising and data-efficient solution for medical applications where annotations are severely scarce and multimodal analysis is required. However, existing methods typically filter out domain-specific information to improve generalization, which inadvertently limits cross-domain performance and degrades source-domain accuracy. To address this, we present Contrastive Graph Modeling (C-Graph), a framework that leverages the structural consistency of medical images as a reliable domain-transferable prior. We represent image features as graphs, with pixels as nodes and semantic affinities as edges. A Structural Prior Graph (SPG) layer is proposed to capture and transfer target-category node dependencies and enable global structure modeling through explicit node interactions. Building upon SPG layers, we introduce a Subgraph Matching Decoding (SMD) mechanism that exploits semantic relations among nodes to guide prediction. Furthermore, we design a Confusion-minimizing Node Contrast (CNC) loss to mitigate node ambiguity and subgraph heterogeneity by contrastively enhancing node discriminability in the graph space. Our method significantly outperforms prior CD-FSMIS approaches across multiple cross-domain benchmarks, achieving state-of-the-art performance while simultaneously preserving strong segmentation accuracy on the source domain.

  • 5 authors
·
Dec 25, 2025

Knowledge Graph Modeling-Driven Large Language Model Operating System (LLM OS) for Task Automation in Process Engineering Problem-Solving

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

  • 3 authors
·
Aug 23, 2024

Youtu-GraphRAG: Vertically Unified Agents for Graph Retrieval-Augmented Complex Reasoning

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

tencent Tencent
·
Aug 27, 2025 1

Visually Impaired Aid using Convolutional Neural Networks, Transfer Learning, and Particle Competition and Cooperation

Navigation and mobility are some of the major problems faced by visually impaired people in their daily lives. Advances in computer vision led to the proposal of some navigation systems. However, most of them require expensive and/or heavy hardware. In this paper we propose the use of convolutional neural networks (CNN), transfer learning, and semi-supervised learning (SSL) to build a framework aimed at the visually impaired aid. It has low computational costs and, therefore, may be implemented on current smartphones, without relying on any additional equipment. The smartphone camera can be used to automatically take pictures of the path ahead. Then, they will be immediately classified, providing almost instantaneous feedback to the user. We also propose a dataset to train the classifiers, including indoor and outdoor situations with different types of light, floor, and obstacles. Many different CNN architectures are evaluated as feature extractors and classifiers, by fine-tuning weights pre-trained on a much larger dataset. The graph-based SSL method, known as particle competition and cooperation, is also used for classification, allowing feedback from the user to be incorporated without retraining the underlying network. 92\% and 80\% classification accuracy is achieved in the proposed dataset in the best supervised and SSL scenarios, respectively.

  • 2 authors
·
May 9, 2020

Large Graph Convolutional Network Training with GPU-Oriented Data Communication Architecture

Graph Convolutional Networks (GCNs) are increasingly adopted in large-scale graph-based recommender systems. Training GCN requires the minibatch generator traversing graphs and sampling the sparsely located neighboring nodes to obtain their features. Since real-world graphs often exceed the capacity of GPU memory, current GCN training systems keep the feature table in host memory and rely on the CPU to collect sparse features before sending them to the GPUs. This approach, however, puts tremendous pressure on host memory bandwidth and the CPU. This is because the CPU needs to (1) read sparse features from memory, (2) write features into memory as a dense format, and (3) transfer the features from memory to the GPUs. In this work, we propose a novel GPU-oriented data communication approach for GCN training, where GPU threads directly access sparse features in host memory through zero-copy accesses without much CPU help. By removing the CPU gathering stage, our method significantly reduces the consumption of the host resources and data access latency. We further present two important techniques to achieve high host memory access efficiency by the GPU: (1) automatic data access address alignment to maximize PCIe packet efficiency, and (2) asynchronous zero-copy access and kernel execution to fully overlap data transfer with training. We incorporate our method into PyTorch and evaluate its effectiveness using several graphs with sizes up to 111 million nodes and 1.6 billion edges. In a multi-GPU training setup, our method is 65-92% faster than the conventional data transfer method, and can even match the performance of all-in-GPU-memory training for some graphs that fit in GPU memory.

  • 8 authors
·
Mar 4, 2021

LSM-GNN: Large-scale Storage-based Multi-GPU GNN Training by Optimizing Data Transfer Scheme

Graph Neural Networks (GNNs) are widely used today in recommendation systems, fraud detection, and node/link classification tasks. Real world GNNs continue to scale in size and require a large memory footprint for storing graphs and embeddings that often exceed the memory capacities of the target GPUs used for training. To address limited memory capacities, traditional GNN training approaches use graph partitioning and sharding techniques to scale up across multiple GPUs within a node and/or scale out across multiple nodes. However, this approach suffers from the high computational costs of graph partitioning algorithms and inefficient communication across GPUs. To address these overheads, we propose Large-scale Storage-based Multi-GPU GNN framework (LSM-GNN), a storagebased approach to train GNN models that utilizes a novel communication layer enabling GPU software caches to function as a system-wide shared cache with low overheads.LSM-GNN incorporates a hybrid eviction policy that intelligently manages cache space by using both static and dynamic node information to significantly enhance cache performance. Furthermore, we introduce the Preemptive Victim-buffer Prefetcher (PVP), a mechanism for prefetching node feature data from a Victim Buffer located in CPU pinned-memory to further reduce the pressure on the storage devices. Experimental results show that despite the lower compute capabilities and memory capacities, LSM-GNN in a single node with two GPUs offers superior performance over two-node-four-GPU Dist-DGL baseline and provides up to 3.75x speed up on end-to-end epoch time while running large-scale GNN training

  • 6 authors
·
Jul 21, 2024

GMoPE:A Prompt-Expert Mixture Framework for Graph Foundation Models

Graph Neural Networks (GNNs) have demonstrated impressive performance on task-specific benchmarks, yet their ability to generalize across diverse domains and tasks remains limited. Existing approaches often struggle with negative transfer, scalability issues, and high adaptation costs. To address these challenges, we propose GMoPE (Graph Mixture of Prompt-Experts), a novel framework that seamlessly integrates the Mixture-of-Experts (MoE) architecture with prompt-based learning for graphs. GMoPE leverages expert-specific prompt vectors and structure-aware MoE routing to enable each expert to specialize in distinct subdomains and dynamically contribute to predictions. To promote diversity and prevent expert collapse, we introduce a soft orthogonality constraint across prompt vectors, encouraging expert specialization and facilitating a more balanced expert utilization. Additionally, we adopt a prompt-only fine-tuning strategy that significantly reduces spatiotemporal complexity during transfer. We validate GMoPE through extensive experiments under various pretraining strategies and multiple downstream tasks. Results show that GMoPE consistently outperforms state-of-the-art baselines and achieves performance comparable to full parameter fine-tuning-while requiring only a fraction of the adaptation overhead. Our work provides a principled and scalable framework for advancing generalizable and efficient graph foundation models.

  • 5 authors
·
Nov 5, 2025

MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of universal descriptor of materials to predict its various properties. The limited availability of materials data can be addressed through transfer learning, while the generic representation was recently addressed by Xie and Grossman [1], where they developed a crystal graph convolutional neural network (CGCNN) that provides a unified representation of crystals. In this work, we develop a new model (MT-CGCNN) by integrating CGCNN with transfer learning based on multi-task (MT) learning. We demonstrate the effectiveness of MT-CGCNN by simultaneous prediction of various material properties such as Formation Energy, Band Gap and Fermi Energy for a wide range of inorganic crystals (46774 materials). MT-CGCNN is able to reduce the test error when employed on correlated properties by upto 8%. The model prediction has lower test error compared to CGCNN, even when the training data is reduced by 10%. We also demonstrate our model's better performance through prediction of end user scenario related to metal/non-metal classification. These results encourage further development of machine learning approaches which leverage multi-task learning to address the aforementioned challenges in the discovery of new materials. We make MT-CGCNN's source code available to encourage reproducible research.

  • 7 authors
·
Nov 14, 2018

Hierarchical Sparse Circuit Extraction from Billion-Parameter Language Models through Scalable Attribution Graph Decomposition

Mechanistic interpretability seeks to reverse-engineer neural network computations into human-understandable algorithms, yet extracting sparse computational circuits from billion-parameter language models remains challenging due to exponential search complexity and pervasive polysemanticity. The proposed Hierarchical Attribution Graph Decomposition (HAGD) framework reduces circuit discovery complexity from O(2^n) exhaustive enumeration to O(n^2 log n) through multi-resolution abstraction hierarchies and differentiable circuit search. The methodology integrates cross-layer transcoders for monosemantic feature extraction, graph neural network meta-learning for topology prediction, and causal intervention protocols for validation. Empirical evaluation spans GPT-2 variants, Llama-7B through Llama-70B, and Pythia suite models across algorithmic tasks and natural language benchmarks. On modular arithmetic tasks, the framework achieves up to 91% behavioral preservation (pm2.3\% across runs) while maintaining interpretable subgraph sizes. Cross-architecture transfer experiments suggest that discovered circuits exhibit moderate structural similarity (averaging 67%) across model families, indicating potential shared computational patterns. These results provide preliminary foundations for interpretability at larger model scales while identifying significant limitations in current attribution methodologies that require future advances.

  • 3 authors
·
Jan 19

Relation-Aware Graph Foundation Model

In recent years, large language models (LLMs) have demonstrated remarkable generalization capabilities across various natural language processing (NLP) tasks. Similarly, graph foundation models (GFMs) have emerged as a promising direction in graph learning, aiming to generalize across diverse datasets through large-scale pre-training. However, unlike language models that rely on explicit token representations, graphs lack a well-defined unit for generalization, making it challenging to design effective pre-training strategies. In this work, we propose REEF, a novel framework that leverages relation tokens as the basic units for GFMs. Inspired by the token vocabulary in LLMs, we construct a relation vocabulary of relation tokens to store relational information within graphs. To accommodate diverse relations, we introduce two hypernetworks that adaptively generate the parameters of aggregators and classifiers in graph neural networks based on relation tokens. In addition, we design another hypernetwork to construct dataset-specific projectors and incorporate a dataset-level feature bias into the initial node representations, enhancing flexibility across different datasets with the same relation. Further, we adopt graph data augmentation and a mixed-dataset pre-training strategy, allowing REEF to capture relational diversity more effectively and exhibit strong generalization capabilities. Extensive experiments show that REEF significantly outperforms existing methods on both pre-training and transfer learning tasks, underscoring its potential as a powerful foundation model for graph-based applications.

  • 6 authors
·
May 16, 2025

Which Invariance Should We Transfer? A Causal Minimax Learning Approach

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

  • 5 authors
·
Jul 5, 2021

Auto-Encoding Scene Graphs for Image Captioning

We propose Scene Graph Auto-Encoder (SGAE) that incorporates the language inductive bias into the encoder-decoder image captioning framework for more human-like captions. Intuitively, we humans use the inductive bias to compose collocations and contextual inference in discourse. For example, when we see the relation `person on bike', it is natural to replace `on' with `ride' and infer `person riding bike on a road' even the `road' is not evident. Therefore, exploiting such bias as a language prior is expected to help the conventional encoder-decoder models less likely overfit to the dataset bias and focus on reasoning. Specifically, we use the scene graph --- a directed graph (G) where an object node is connected by adjective nodes and relationship nodes --- to represent the complex structural layout of both image (I) and sentence (S). In the textual domain, we use SGAE to learn a dictionary (D) that helps to reconstruct sentences in the Srightarrow G rightarrow D rightarrow S pipeline, where D encodes the desired language prior; in the vision-language domain, we use the shared D to guide the encoder-decoder in the Irightarrow Grightarrow D rightarrow S pipeline. Thanks to the scene graph representation and shared dictionary, the inductive bias is transferred across domains in principle. We validate the effectiveness of SGAE on the challenging MS-COCO image captioning benchmark, e.g., our SGAE-based single-model achieves a new state-of-the-art 127.8 CIDEr-D on the Karpathy split, and a competitive 125.5 CIDEr-D (c40) on the official server even compared to other ensemble models.

  • 4 authors
·
Dec 10, 2018

LoGAH: Predicting 774-Million-Parameter Transformers using Graph HyperNetworks with 1/100 Parameters

A good initialization of deep learning models is essential since it can help them converge better and faster. However, pretraining large models is unaffordable for many researchers, which makes a desired prediction for initial parameters more necessary nowadays. Graph HyperNetworks (GHNs), one approach to predicting model parameters, have recently shown strong performance in initializing large vision models. Unfortunately, predicting parameters of very wide networks relies on copying small chunks of parameters multiple times and requires an extremely large number of parameters to support full prediction, which greatly hinders its adoption in practice. To address this limitation, we propose LoGAH (Low-rank GrAph Hypernetworks), a GHN with a low-rank parameter decoder that expands to significantly wider networks without requiring as excessive increase of parameters as in previous attempts. LoGAH allows us to predict the parameters of 774-million large neural networks in a memory-efficient manner. We show that vision and language models (i.e., ViT and GPT-2) initialized with LoGAH achieve better performance than those initialized randomly or using existing hypernetworks. Furthermore, we show promising transfer learning results w.r.t. training LoGAH on small datasets and using the predicted parameters to initialize for larger tasks. We provide the codes in https://github.com/Blackzxy/LoGAH .

  • 4 authors
·
May 25, 2024 2

When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

  • 8 authors
·
Mar 29, 2023

Interleaved Scene Graph for Interleaved Text-and-Image Generation Assessment

Many real-world user queries (e.g. "How do to make egg fried rice?") could benefit from systems capable of generating responses with both textual steps with accompanying images, similar to a cookbook. Models designed to generate interleaved text and images face challenges in ensuring consistency within and across these modalities. To address these challenges, we present ISG, a comprehensive evaluation framework for interleaved text-and-image generation. ISG leverages a scene graph structure to capture relationships between text and image blocks, evaluating responses on four levels of granularity: holistic, structural, block-level, and image-specific. This multi-tiered evaluation allows for a nuanced assessment of consistency, coherence, and accuracy, and provides interpretable question-answer feedback. In conjunction with ISG, we introduce a benchmark, ISG-Bench, encompassing 1,150 samples across 8 categories and 21 subcategories. This benchmark dataset includes complex language-vision dependencies and golden answers to evaluate models effectively on vision-centric tasks such as style transfer, a challenging area for current models. Using ISG-Bench, we demonstrate that recent unified vision-language models perform poorly on generating interleaved content. While compositional approaches that combine separate language and image models show a 111% improvement over unified models at the holistic level, their performance remains suboptimal at both block and image levels. To facilitate future work, we develop ISG-Agent, a baseline agent employing a "plan-execute-refine" pipeline to invoke tools, achieving a 122% performance improvement.

  • 11 authors
·
Nov 26, 2024 2

Structured Spectral Graph Representation Learning for Multi-label Abnormality Analysis from 3D CT Scans

With the growing volume of CT examinations, there is an increasing demand for automated tools such as organ segmentation, abnormality detection, and report generation to support radiologists in managing their clinical workload. Multi-label classification of 3D Chest CT scans remains a critical yet challenging problem due to the complex spatial relationships inherent in volumetric data and the wide variability of abnormalities. Existing methods based on 3D convolutional neural networks struggle to capture long-range dependencies, while Vision Transformers often require extensive pre-training on large-scale, domain-specific datasets to perform competitively. In this work of academic research, we propose a 2.5D alternative by introducing a new graph-based framework that represents 3D CT volumes as structured graphs, where axial slice triplets serve as nodes processed through spectral graph convolution, enabling the model to reason over inter-slice dependencies while maintaining complexity compatible with clinical deployment. Our method, trained and evaluated on 3 datasets from independent institutions, achieves strong cross-dataset generalization, and shows competitive performance compared to state-of-the-art visual encoders. We further conduct comprehensive ablation studies to evaluate the impact of various aggregation strategies, edge-weighting schemes, and graph connectivity patterns. Additionally, we demonstrate the broader applicability of our approach through transfer experiments on automated radiology report generation and abdominal CT data.

  • 4 authors
·
Oct 12, 2025

Strategies for Pre-training Graph Neural Networks

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to this challenge is to pre-train a model on related tasks where data is abundant, and then fine-tune it on a downstream task of interest. While pre-training has been effective in many language and vision domains, it remains an open question how to effectively use pre-training on graph datasets. In this paper, we develop a new strategy and self-supervised methods for pre-training Graph Neural Networks (GNNs). The key to the success of our strategy is to pre-train an expressive GNN at the level of individual nodes as well as entire graphs so that the GNN can learn useful local and global representations simultaneously. We systematically study pre-training on multiple graph classification datasets. We find that naive strategies, which pre-train GNNs at the level of either entire graphs or individual nodes, give limited improvement and can even lead to negative transfer on many downstream tasks. In contrast, our strategy avoids negative transfer and improves generalization significantly across downstream tasks, leading up to 9.4% absolute improvements in ROC-AUC over non-pre-trained models and achieving state-of-the-art performance for molecular property prediction and protein function prediction.

  • 7 authors
·
May 29, 2019

HetGPT: Harnessing the Power of Prompt Tuning in Pre-Trained Heterogeneous Graph Neural Networks

Graphs have emerged as a natural choice to represent and analyze the intricate patterns and rich information of the Web, enabling applications such as online page classification and social recommendation. The prevailing "pre-train, fine-tune" paradigm has been widely adopted in graph machine learning tasks, particularly in scenarios with limited labeled nodes. However, this approach often exhibits a misalignment between the training objectives of pretext tasks and those of downstream tasks. This gap can result in the "negative transfer" problem, wherein the knowledge gained from pre-training adversely affects performance in the downstream tasks. The surge in prompt-based learning within Natural Language Processing (NLP) suggests the potential of adapting a "pre-train, prompt" paradigm to graphs as an alternative. However, existing graph prompting techniques are tailored to homogeneous graphs, neglecting the inherent heterogeneity of Web graphs. To bridge this gap, we propose HetGPT, a general post-training prompting framework to improve the predictive performance of pre-trained heterogeneous graph neural networks (HGNNs). The key is the design of a novel prompting function that integrates a virtual class prompt and a heterogeneous feature prompt, with the aim to reformulate downstream tasks to mirror pretext tasks. Moreover, HetGPT introduces a multi-view neighborhood aggregation mechanism, capturing the complex neighborhood structure in heterogeneous graphs. Extensive experiments on three benchmark datasets demonstrate HetGPT's capability to enhance the performance of state-of-the-art HGNNs on semi-supervised node classification.

  • 5 authors
·
Feb 3, 2025

AgentTether: Graph-Guided Diagnosis and Runtime Intervention for Reliable LLM Agent Operation

Large language model (LLM) agents are increasingly used for multi-step, stateful tool-use tasks, yet production reliability remains limited. Unlike static software repair, agent repair must recover dynamic trajectories whose early decisions can propagate into later errors and external state changes. Existing automatic remedies address only part of this problem: blind retry adds no diagnosis, outcome feedback says whether a run failed but not where or why, and self-reflection often lacks grounded evidence to prevent the same failure from recurring. We present AgentTether, a run-time repair framework that automates post-run diagnosis and guided recovery without modifying the underlying agent or environment. AgentTether abstracts each run into Transition Units, links them through a dependency-aware Critical Transition Graph, and localizes failure-critical subtrajectories by combining an offline normal-behavior model with a run-local graph detector. It then converts the localized cause into behavior-scoped guidance backed by cross-iteration Repair Memory, and can optionally apply guarded run-time intervention to keep the correction active during re-execution. The same design can be deployed as an offline diagnostic-and-guidance tool or as an online repair layer. We evaluate AgentTether on 261 tau-bench tasks across three domains with Qwen3.7-max, and test cross-model transfer on Banking with GPT-5.4. On the hardest Banking domain, AgentTether repairs 59.04% (49/83) of initially failed Qwen3.7-max tasks and 65.12% (56/86) of initially failed GPT-5.4 tasks. Overall, AgentTether improves repair effectiveness while reducing agent turns and end-to-end approach tokens, suggesting a practical reliability layer that can wrap existing agent deployments, reduce wasted re-execution, and improve recovery without retraining the agent.

  • 8 authors
·
Jul 6

Knowledge Distillation via Token-level Relationship Graph

Knowledge distillation is a powerful technique for transferring knowledge from a pre-trained teacher model to a student model. However, the true potential of knowledge transfer has not been fully explored. Existing approaches primarily focus on distilling individual information or instance-level relationships, overlooking the valuable information embedded in token-level relationships, which may be particularly affected by the long-tail effects. To address the above limitations, we propose a novel method called Knowledge Distillation with Token-level Relationship Graph (TRG) that leverages the token-wise relational knowledge to enhance the performance of knowledge distillation. By employing TRG, the student model can effectively emulate higher-level semantic information from the teacher model, resulting in improved distillation results. To further enhance the learning process, we introduce a token-wise contextual loss called contextual loss, which encourages the student model to capture the inner-instance semantic contextual of the teacher model. We conduct experiments to evaluate the effectiveness of the proposed method against several state-of-the-art approaches. Empirical results demonstrate the superiority of TRG across various visual classification tasks, including those involving imbalanced data. Our method consistently outperforms the existing baselines, establishing a new state-of-the-art performance in the field of knowledge distillation.

  • 3 authors
·
Jun 20, 2023

Graph Inductive Biases in Transformers without Message Passing

Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous works incorporate them using message-passing modules and/or positional encodings. However, Graph Transformers that use message-passing inherit known issues of message-passing, and differ significantly from Transformers used in other domains, thus making transfer of research advances more difficult. On the other hand, Graph Transformers without message-passing often perform poorly on smaller datasets, where inductive biases are more crucial. To bridge this gap, we propose the Graph Inductive bias Transformer (GRIT) -- a new Graph Transformer that incorporates graph inductive biases without using message passing. GRIT is based on several architectural changes that are each theoretically and empirically justified, including: learned relative positional encodings initialized with random walk probabilities, a flexible attention mechanism that updates node and node-pair representations, and injection of degree information in each layer. We prove that GRIT is expressive -- it can express shortest path distances and various graph propagation matrices. GRIT achieves state-of-the-art empirical performance across a variety of graph datasets, thus showing the power that Graph Transformers without message-passing can deliver.

VQGraph: Rethinking Graph Representation Space for Bridging GNNs and MLPs

GNN-to-MLP distillation aims to utilize knowledge distillation (KD) to learn computationally-efficient multi-layer perceptron (student MLP) on graph data by mimicking the output representations of teacher GNN. Existing methods mainly make the MLP to mimic the GNN predictions over a few class labels. However, the class space may not be expressive enough for covering numerous diverse local graph structures, thus limiting the performance of knowledge transfer from GNN to MLP. To address this issue, we propose to learn a new powerful graph representation space by directly labeling nodes' diverse local structures for GNN-to-MLP distillation. Specifically, we propose a variant of VQ-VAE to learn a structure-aware tokenizer on graph data that can encode each node's local substructure as a discrete code. The discrete codes constitute a codebook as a new graph representation space that is able to identify different local graph structures of nodes with the corresponding code indices. Then, based on the learned codebook, we propose a new distillation target, namely soft code assignments, to directly transfer the structural knowledge of each node from GNN to MLP. The resulting framework VQGraph achieves new state-of-the-art performance on GNN-to-MLP distillation in both transductive and inductive settings across seven graph datasets. We show that VQGraph with better performance infers faster than GNNs by 828x, and also achieves accuracy improvement over GNNs and stand-alone MLPs by 3.90% and 28.05% on average, respectively. Code: https://github.com/YangLing0818/VQGraph.

  • 10 authors
·
Aug 3, 2023

Multi-Domain Riemannian Graph Gluing for Building Graph Foundation Models

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of answering a fundamental question: how is knowledge integrated or transferred across domains? This theoretical limitation motivates us to rethink the consistency and transferability between model pre-training and domain adaptation. In this paper, we propose a fresh Riemannian geometry perspective, whose core idea is to merge any graph dataset into a unified, smooth Riemannian manifold, enabling a systematic understanding of knowledge integration and transfer. To achieve this, our key contribution is the theoretical establishment of neural manifold gluing, which first characterizes local geometry using an adaptive orthogonal frame and then "glues" the local pieces together into a coherent whole. Building on this theory, we present the GraphGlue framework, which supports batched pre-training with EMA prototyping and provides a transferability measure based on geometric consistence. Extensive experiments demonstrate its superior performance across diverse graph domains. Moreover, we empirically validated GraphGlue's geometric scaling law, showing that larger quantities of datasets improve model transferability by producing a smoother manifold. Codes are available at https://github.com/RiemannGraph/GraphGlue.

  • 7 authors
·
Feb 28 2

DisasterLex: An Expert Concept-to-Schema Knowledge Graph for Geospatial Reasoning in Disaster Analytics

Disasters are inevitable and increasingly costly, and effective response depends on querying structured tabular data: precise, information-dense records of hazard, exposure, vulnerability, and lifeline infrastructure that underpin disaster management. Current text-to-SQL methods enable natural-language access to such tables but transfer poorly to the disaster domain, where queries span heterogeneous geospatial schemas and require reasoning over causal relations. We introduce DisasterLex, a knowledge-graph-mediated framework that inserts an Expert Knowledge Graph (EKG) of curated concepts and typed causal edges between the user query and the database, bridged to schema by concept-to-table links. The orchestration runs four stages (identifying query entities, routing to the operational domain, planning over causal edges, and grounding the SQL), restricting the schema passed to the model at each step. We instantiate it on a disaster-analytics database (36 geospatial tables, 150 columns) with an EKG of 107 concepts, 117 causal edges, and 52 concept-to-schema links, evaluated on a 75-query test set. On all seven base models spanning proprietary and open-weight families, DisasterLex beats four state-of-the-art baselines (LightRAG, HippoRAG 2, ReFoRCE, CHESS) by 1.4x to 2.75x, with absolute scores of 1.65 to 3.56 (of 5.0). Error analysis shows baseline failures cluster in routing and multi-table SQL composition, the operations our orchestration explicitly addresses. Code, data, and the EKG artifact are available at https://github.com/YimingXiao98/DisasterLex and on Zenodo at https://doi.org/10.5281/zenodo.20388029.

  • 6 authors
·
May 27

VToonify: Controllable High-Resolution Portrait Video Style Transfer

Generating high-quality artistic portrait videos is an important and desirable task in computer graphics and vision. Although a series of successful portrait image toonification models built upon the powerful StyleGAN have been proposed, these image-oriented methods have obvious limitations when applied to videos, such as the fixed frame size, the requirement of face alignment, missing non-facial details and temporal inconsistency. In this work, we investigate the challenging controllable high-resolution portrait video style transfer by introducing a novel VToonify framework. Specifically, VToonify leverages the mid- and high-resolution layers of StyleGAN to render high-quality artistic portraits based on the multi-scale content features extracted by an encoder to better preserve the frame details. The resulting fully convolutional architecture accepts non-aligned faces in videos of variable size as input, contributing to complete face regions with natural motions in the output. Our framework is compatible with existing StyleGAN-based image toonification models to extend them to video toonification, and inherits appealing features of these models for flexible style control on color and intensity. This work presents two instantiations of VToonify built upon Toonify and DualStyleGAN for collection-based and exemplar-based portrait video style transfer, respectively. Extensive experimental results demonstrate the effectiveness of our proposed VToonify framework over existing methods in generating high-quality and temporally-coherent artistic portrait videos with flexible style controls.

  • 4 authors
·
Sep 22, 2022

ToonAging: Face Re-Aging upon Artistic Portrait Style Transfer

Face re-aging is a prominent field in computer vision and graphics, with significant applications in photorealistic domains such as movies, advertising, and live streaming. Recently, the need to apply face re-aging to non-photorealistic images, like comics, illustrations, and animations, has emerged as an extension in various entertainment sectors. However, the absence of a network capable of seamlessly editing the apparent age on NPR images means that these tasks have been confined to a naive approach, applying each task sequentially. This often results in unpleasant artifacts and a loss of facial attributes due to domain discrepancies. In this paper, we introduce a novel one-stage method for face re-aging combined with portrait style transfer, executed in a single generative step. We leverage existing face re-aging and style transfer networks, both trained within the same PR domain. Our method uniquely fuses distinct latent vectors, each responsible for managing aging-related attributes and NPR appearance. Adopting an exemplar-based approach, our method offers greater flexibility than domain-level fine-tuning approaches, which typically require separate training or fine-tuning for each domain. This effectively addresses the limitation of requiring paired datasets for re-aging and domain-level, data-driven approaches for stylization. Our experiments show that our model can effortlessly generate re-aged images while simultaneously transferring the style of examples, maintaining both natural appearance and controllability.

  • 4 authors
·
Feb 5, 2024

GraphVite: A High-Performance CPU-GPU Hybrid System for Node Embedding

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and systems are capable of processing networks with hundreds of thousands or a few millions of nodes. However, how to scale them to networks that have tens of millions or even hundreds of millions of nodes remains a challenging problem. In this paper, we propose GraphVite, a high-performance CPU-GPU hybrid system for training node embeddings, by co-optimizing the algorithm and the system. On the CPU end, augmented edge samples are parallelly generated by random walks in an online fashion on the network, and serve as the training data. On the GPU end, a novel parallel negative sampling is proposed to leverage multiple GPUs to train node embeddings simultaneously, without much data transfer and synchronization. Moreover, an efficient collaboration strategy is proposed to further reduce the synchronization cost between CPUs and GPUs. Experiments on multiple real-world networks show that GraphVite is super efficient. It takes only about one minute for a network with 1 million nodes and 5 million edges on a single machine with 4 GPUs, and takes around 20 hours for a network with 66 million nodes and 1.8 billion edges. Compared to the current fastest system, GraphVite is about 50 times faster without any sacrifice on performance.

  • 4 authors
·
Mar 2, 2019

Motion Transfer-Enhanced StyleGAN for Generating Diverse Macaque Facial Expressions

Generating animal faces using generative AI techniques is challenging because the available training images are limited both in quantity and variation, particularly for facial expressions across individuals. In this study, we focus on macaque monkeys, widely studied in systems neuroscience and evolutionary research, and propose a method to generate their facial expressions using a style-based generative image model (i.e., StyleGAN2). To address data limitations, we implemented: 1) data augmentation by synthesizing new facial expression images using a motion transfer to animate still images with computer graphics, 2) sample selection based on the latent representation of macaque faces from an initially trained StyleGAN2 model to ensure the variation and uniform sampling in training dataset, and 3) loss function refinement to ensure the accurate reproduction of subtle movements, such as eye movements. Our results demonstrate that the proposed method enables the generation of diverse facial expressions for multiple macaque individuals, outperforming models trained solely on original still images. Additionally, we show that our model is effective for style-based image editing, where specific style parameters correspond to distinct facial movements. These findings underscore the model's potential for disentangling motion components as style parameters, providing a valuable tool for research on macaque facial expressions.

  • 5 authors
·
Nov 20, 2025

Accurate Machine Learning Atmospheric Retrieval via a Neural Network Surrogate Model for Radiative Transfer

Atmospheric retrieval determines the properties of an atmosphere based on its measured spectrum. The low signal-to-noise ratio of exoplanet observations require a Bayesian approach to determine posterior probability distributions of each model parameter, given observed spectra. This inference is computationally expensive, as it requires many executions of a costly radiative transfer (RT) simulation for each set of sampled model parameters. Machine learning (ML) has recently been shown to provide a significant reduction in runtime for retrievals, mainly by training inverse ML models that predict parameter distributions, given observed spectra, albeit with reduced posterior accuracy. Here we present a novel approach to retrieval by training a forward ML surrogate model that predicts spectra given model parameters, providing a fast approximate RT simulation that can be used in a conventional Bayesian retrieval framework without significant loss of accuracy. We demonstrate our method on the emission spectrum of HD 189733 b and find good agreement with a traditional retrieval from the Bayesian Atmospheric Radiative Transfer (BART) code (Bhattacharyya coefficients of 0.9843--0.9972, with a mean of 0.9925, between 1D marginalized posteriors). This accuracy comes while still offering significant speed enhancements over traditional RT, albeit not as much as ML methods with lower posterior accuracy. Our method is ~9x faster per parallel chain than BART when run on an AMD EPYC 7402P central processing unit (CPU). Neural-network computation using an NVIDIA Titan Xp graphics processing unit is 90--180x faster per chain than BART on that CPU.

  • 11 authors
·
Mar 4, 2020

UTDesign: A Unified Framework for Stylized Text Editing and Generation in Graphic Design Images

AI-assisted graphic design has emerged as a powerful tool for automating the creation and editing of design elements such as posters, banners, and advertisements. While diffusion-based text-to-image models have demonstrated strong capabilities in visual content generation, their text rendering performance, particularly for small-scale typography and non-Latin scripts, remains limited. In this paper, we propose UTDesign, a unified framework for high-precision stylized text editing and conditional text generation in design images, supporting both English and Chinese scripts. Our framework introduces a novel DiT-based text style transfer model trained from scratch on a synthetic dataset, capable of generating transparent RGBA text foregrounds that preserve the style of reference glyphs. We further extend this model into a conditional text generation framework by training a multi-modal condition encoder on a curated dataset with detailed text annotations, enabling accurate, style-consistent text synthesis conditioned on background images, prompts, and layout specifications. Finally, we integrate our approach into a fully automated text-to-design (T2D) pipeline by incorporating pre-trained text-to-image (T2I) models and an MLLM-based layout planner. Extensive experiments demonstrate that UTDesign achieves state-of-the-art performance among open-source methods in terms of stylistic consistency and text accuracy, and also exhibits unique advantages compared to proprietary commercial approaches. Code and data for this paper are available at https://github.com/ZYM-PKU/UTDesign.

  • 7 authors
·
Dec 22, 2025

HairPort: In-context 3D-aware Hair Import and Transfer for Images

Transferring hairstyles between images is an important but challenging task in computer graphics, computer vision, and visual effects. It enables users to explore new looks without physically altering their hair, with applications in virtual try-on systems, augmented reality, and entertainment. Most prior works operate best under small pose gaps, and they fall short under large viewpoint and scale differences, where missing hair content must be synthesized rather than transferred. We propose HairPort, a 3D-aware hairstyle transfer framework that attempts to solve these issues by explicitly separating hair removal from transfer and enforcing geometric consistency before synthesis. We introduce a Bald Converter, which produces realistic bald versions of faces through LoRA-based in-context adaptation of FLUX.1 Kontext. To train our Bald Converter, we introduce a new dataset, Baldy, containing 6,000 paired bald and original images across diverse identities and conditions. We also use a 3D-Aware Transfer Pipeline that reconstructs and re-renders the reference hairstyle from the target viewpoint before compositing it onto the source image. Being 3D aware, our method supports large pose and scale discrepancies between the source and target. Finally, a conditional flow-matching generator synthesizes the transferred result from the bald source and geometry-aligned reference guidance. Together, our method enables accurate, pose-consistent, and identity-preserving hairstyle transfer, outperforming existing methods both qualitatively and quantitatively.

  • 5 authors
·
Jun 9

PyTorch-Direct: Enabling GPU Centric Data Access for Very Large Graph Neural Network Training with Irregular Accesses

With the increasing adoption of graph neural networks (GNNs) in the machine learning community, GPUs have become an essential tool to accelerate GNN training. However, training GNNs on very large graphs that do not fit in GPU memory is still a challenging task. Unlike conventional neural networks, mini-batching input samples in GNNs requires complicated tasks such as traversing neighboring nodes and gathering their feature values. While this process accounts for a significant portion of the training time, we find existing GNN implementations using popular deep neural network (DNN) libraries such as PyTorch are limited to a CPU-centric approach for the entire data preparation step. This "all-in-CPU" approach has negative impact on the overall GNN training performance as it over-utilizes CPU resources and hinders GPU acceleration of GNN training. To overcome such limitations, we introduce PyTorch-Direct, which enables a GPU-centric data accessing paradigm for GNN training. In PyTorch-Direct, GPUs are capable of efficiently accessing complicated data structures in host memory directly without CPU intervention. Our microbenchmark and end-to-end GNN training results show that PyTorch-Direct reduces data transfer time by 47.1% on average and speeds up GNN training by up to 1.6x. Furthermore, by reducing CPU utilization, PyTorch-Direct also saves system power by 12.4% to 17.5% during training. To minimize programmer effort, we introduce a new "unified tensor" type along with necessary changes to the PyTorch memory allocator, dispatch logic, and placement rules. As a result, users need to change at most two lines of their PyTorch GNN training code for each tensor object to take advantage of PyTorch-Direct.

  • 8 authors
·
Jan 19, 2021

Automated PII Extraction from Social Media for Raising Privacy Awareness: A Deep Transfer Learning Approach

Internet users have been exposing an increasing amount of Personally Identifiable Information (PII) on social media. Such exposed PII can cause severe losses to the users, and informing users of their PII exposure is crucial to raise their privacy awareness and encourage them to take protective measures. To this end, advanced automatic techniques are needed. While Information Extraction (IE) techniques can be used to extract the PII automatically, Deep Learning (DL)-based IE models alleviate the need for feature engineering and further improve the efficiency. However, DL-based IE models often require large-scale labeled data for training, but PII-labeled social media posts are difficult to obtain due to privacy concerns. Also, these models rely heavily on pre-trained word embeddings, while PII in social media often varies in forms and thus has no fixed representations in pre-trained word embeddings. In this study, we propose the Deep Transfer Learning for PII Extraction (DTL-PIIE) framework to address these two limitations. DTL-PIIE transfers knowledge learned from publicly available PII data to social media to address the problem of rare PII-labeled data. Moreover, our framework leverages Graph Convolutional Networks (GCNs) to incorporate syntactic patterns to guide PIIE without relying on pre-trained word embeddings. Evaluation against benchmark IE models indicates that our approach outperforms state-of-the-art DL-based IE models. Our framework can facilitate various applications, such as PII misuse prediction and privacy risk assessment, protecting the privacy of internet users.

  • 5 authors
·
Nov 11, 2021

deGraphCS: Embedding Variable-based Flow Graph for Neural Code Search

With the rapid increase in the amount of public code repositories, developers maintain a great desire to retrieve precise code snippets by using natural language. Despite existing deep learning based approaches(e.g., DeepCS and MMAN) have provided the end-to-end solutions (i.e., accepts natural language as queries and shows related code fragments retrieved directly from code corpus), the accuracy of code search in the large-scale repositories is still limited by the code representation (e.g., AST) and modeling (e.g., directly fusing the features in the attention stage). In this paper, we propose a novel learnable deep Graph for Code Search (calleddeGraphCS), to transfer source code into variable-based flow graphs based on the intermediate representation technique, which can model code semantics more precisely compared to process the code as text directly or use the syntactic tree representation. Furthermore, we propose a well-designed graph optimization mechanism to refine the code representation, and apply an improved gated graph neural network to model variable-based flow graphs. To evaluate the effectiveness of deGraphCS, we collect a large-scale dataset from GitHub containing 41,152 code snippets written in C language, and reproduce several typical deep code search methods for comparison. Besides, we design a qualitative user study to verify the practical value of our approach. The experimental results have shown that deGraphCS can achieve state-of-the-art performances, and accurately retrieve code snippets satisfying the needs of the users.

  • 9 authors
·
Mar 24, 2021

UniGraph: Learning a Unified Cross-Domain Foundation Model for Text-Attributed Graphs

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph learning has predominantly focused on single-graph models, tailored to specific tasks or datasets, lacking the ability to transfer learned knowledge to different domains. This limitation stems from the inherent complexity and diversity of graph structures, along with the different feature and label spaces specific to graph data. In this paper, we recognize text as an effective unifying medium and employ Text-Attributed Graphs (TAGs) to leverage this potential. We present our UniGraph framework, designed to learn a foundation model for TAGs, which is capable of generalizing to unseen graphs and tasks across diverse domains. Unlike single-graph models that use pre-computed node features of varying dimensions as input, our approach leverages textual features for unifying node representations, even for graphs such as molecular graphs that do not naturally have textual features. We propose a novel cascaded architecture of Language Models (LMs) and Graph Neural Networks (GNNs) as backbone networks. Additionally, we propose the first pre-training algorithm specifically designed for large-scale self-supervised learning on TAGs, based on Masked Graph Modeling. We introduce graph instruction tuning using Large Language Models (LLMs) to enable zero-shot prediction ability. Our comprehensive experiments across various graph learning tasks and domains demonstrate the model's effectiveness in self-supervised representation learning on unseen graphs, few-shot in-context transfer, and zero-shot transfer, even surpassing or matching the performance of GNNs that have undergone supervised training on target datasets.

  • 4 authors
·
Feb 21, 2024

UniGraph2: Learning a Unified Embedding Space to Bind Multimodal Graphs

Existing foundation models, such as CLIP, aim to learn a unified embedding space for multimodal data, enabling a wide range of downstream web-based applications like search, recommendation, and content classification. However, these models often overlook the inherent graph structures in multimodal datasets, where entities and their relationships are crucial. Multimodal graphs (MMGs) represent such graphs where each node is associated with features from different modalities, while the edges capture the relationships between these entities. On the other hand, existing graph foundation models primarily focus on text-attributed graphs (TAGs) and are not designed to handle the complexities of MMGs. To address these limitations, we propose UniGraph2, a novel cross-domain graph foundation model that enables general representation learning on MMGs, providing a unified embedding space. UniGraph2 employs modality-specific encoders alongside a graph neural network (GNN) to learn a unified low-dimensional embedding space that captures both the multimodal information and the underlying graph structure. We propose a new cross-domain multi-graph pre-training algorithm at scale to ensure effective transfer learning across diverse graph domains and modalities. Additionally, we adopt a Mixture of Experts (MoE) component to align features from different domains and modalities, ensuring coherent and robust embeddings that unify the information across modalities. Extensive experiments on a variety of multimodal graph tasks demonstrate that UniGraph2 significantly outperforms state-of-the-art models in tasks such as representation learning, transfer learning, and multimodal generative tasks, offering a scalable and flexible solution for learning on MMGs.

  • 6 authors
·
Feb 2, 2025

Graph Neural Networks Based Analog Circuit Link Prediction

Circuit link prediction, which identifies missing component connections from incomplete netlists, is crucial in analog circuit design automation. However, existing methods face three main challenges: 1) Insufficient use of topological patterns in circuit graphs reduces prediction accuracy; 2) Data scarcity due to the complexity of annotations hinders model generalization; 3) Limited adaptability to various netlist formats restricts model flexibility. We propose Graph Neural Networks Based Analog Circuit Link Prediction (GNN-ACLP), a graph neural networks (GNNs) based method featuring three innovations to tackle these challenges. First, we introduce the SEAL (learning from Subgraphs, Embeddings, and Attributes for Link prediction) framework and achieve port-level accuracy in circuit link prediction. Second, we propose Netlist Babel Fish, a netlist format conversion tool that leverages retrieval-augmented generation (RAG) with a large language model (LLM) to enhance the compatibility of netlist formats. Finally, we build a comprehensive dataset, SpiceNetlist, comprising 775 annotated circuits of 7 different types across 10 component classes. Experiments demonstrate accuracy improvements of 16.08% on SpiceNetlist, 11.38% on Image2Net, and 16.01% on Masala-CHAI compared to the baseline in intra-dataset evaluation, while maintaining accuracy from 92.05% to 99.07% in cross-dataset evaluation, demonstrating robust feature transfer capabilities. However, its linear computational complexity makes processing large-scale netlists challenging and requires future addressing.

  • 9 authors
·
Apr 14, 2025

UniManip: General-Purpose Zero-Shot Robotic Manipulation with Agentic Operational Graph

Achieving general-purpose robotic manipulation requires robots to seamlessly bridge high-level semantic intent with low-level physical interaction in unstructured environments. However, existing approaches falter in zero-shot generalization: end-to-end Vision-Language-Action (VLA) models often lack the precision required for long-horizon tasks, while traditional hierarchical planners suffer from semantic rigidity when facing open-world variations. To address this, we present UniManip, a framework grounded in a Bi-level Agentic Operational Graph (AOG) that unifies semantic reasoning and physical grounding. By coupling a high-level Agentic Layer for task orchestration with a low-level Scene Layer for dynamic state representation, the system continuously aligns abstract planning with geometric constraints, enabling robust zero-shot execution. Unlike static pipelines, UniManip operates as a dynamic agentic loop: it actively instantiates object-centric scene graphs from unstructured perception, parameterizes these representations into collision-free trajectories via a safety-aware local planner, and exploits structured memory to autonomously diagnose and recover from execution failures. Extensive experiments validate the system's robust zero-shot capability on unseen objects and tasks, demonstrating a 22.5% and 25.0% higher success rate compared to state-of-the-art VLA and hierarchical baselines, respectively. Notably, the system enables direct zero-shot transfer from fixed-base setups to mobile manipulation without fine-tuning or reconfiguration. Our open-source project page can be found at https://henryhcliu.github.io/unimanip.

  • 7 authors
·
Feb 13

Design Space for Graph Neural Networks

The rapid evolution of Graph Neural Networks (GNNs) has led to a growing number of new architectures as well as novel applications. However, current research focuses on proposing and evaluating specific architectural designs of GNNs, as opposed to studying the more general design space of GNNs that consists of a Cartesian product of different design dimensions, such as the number of layers or the type of the aggregation function. Additionally, GNN designs are often specialized to a single task, yet few efforts have been made to understand how to quickly find the best GNN design for a novel task or a novel dataset. Here we define and systematically study the architectural design space for GNNs which consists of 315,000 different designs over 32 different predictive tasks. Our approach features three key innovations: (1) A general GNN design space; (2) a GNN task space with a similarity metric, so that for a given novel task/dataset, we can quickly identify/transfer the best performing architecture; (3) an efficient and effective design space evaluation method which allows insights to be distilled from a huge number of model-task combinations. Our key results include: (1) A comprehensive set of guidelines for designing well-performing GNNs; (2) while best GNN designs for different tasks vary significantly, the GNN task space allows for transferring the best designs across different tasks; (3) models discovered using our design space achieve state-of-the-art performance. Overall, our work offers a principled and scalable approach to transition from studying individual GNN designs for specific tasks, to systematically studying the GNN design space and the task space. Finally, we release GraphGym, a powerful platform for exploring different GNN designs and tasks. GraphGym features modularized GNN implementation, standardized GNN evaluation, and reproducible and scalable experiment management.

  • 3 authors
·
Jul 22, 2021

DreamCinema: Cinematic Transfer with Free Camera and 3D Character

We are living in a flourishing era of digital media, where everyone has the potential to become a personal filmmaker. Current research on cinematic transfer empowers filmmakers to reproduce and manipulate the visual elements (e.g., cinematography and character behaviors) from classic shots. However, characters in the reimagined films still rely on manual crafting, which involves significant technical complexity and high costs, making it unattainable for ordinary users. Furthermore, their estimated cinematography lacks smoothness due to inadequate capturing of inter-frame motion and modeling of physical trajectories. Fortunately, the remarkable success of 2D and 3D AIGC has opened up the possibility of efficiently generating characters tailored to users' needs, diversifying cinematography. In this paper, we propose DreamCinema, a novel cinematic transfer framework that pioneers generative AI into the film production paradigm, aiming at facilitating user-friendly film creation. Specifically, we first extract cinematic elements (i.e., human and camera pose) and optimize the camera trajectory. Then, we apply a character generator to efficiently create 3D high-quality characters with a human structure prior. Finally, we develop a structure-guided motion transfer strategy to incorporate generated characters into film creation and transfer it via 3D graphics engines smoothly. Extensive experiments demonstrate the effectiveness of our method for creating high-quality films with free camera and 3D characters.

  • 6 authors
·
Aug 22, 2024 2

BioIE: Biomedical Information Extraction with Multi-head Attention Enhanced Graph Convolutional Network

Constructing large-scaled medical knowledge graphs can significantly boost healthcare applications for medical surveillance, bring much attention from recent research. An essential step in constructing large-scale MKG is extracting information from medical reports. Recently, information extraction techniques have been proposed and show promising performance in biomedical information extraction. However, these methods only consider limited types of entity and relation due to the noisy biomedical text data with complex entity correlations. Thus, they fail to provide enough information for constructing MKGs and restrict the downstream applications. To address this issue, we propose Biomedical Information Extraction, a hybrid neural network to extract relations from biomedical text and unstructured medical reports. Our model utilizes a multi-head attention enhanced graph convolutional network to capture the complex relations and context information while resisting the noise from the data. We evaluate our model on two major biomedical relationship extraction tasks, chemical-disease relation and chemical-protein interaction, and a cross-hospital pan-cancer pathology report corpus. The results show that our method achieves superior performance than baselines. Furthermore, we evaluate the applicability of our method under a transfer learning setting and show that BioIE achieves promising performance in processing medical text from different formats and writing styles.

  • 6 authors
·
Oct 26, 2021

Evaluating Prompt-based Question Answering for Object Prediction in the Open Research Knowledge Graph

There have been many recent investigations into prompt-based training of transformer language models for new text genres in low-resource settings. The prompt-based training approach has been found to be effective in generalizing pre-trained or fine-tuned models for transfer to resource-scarce settings. This work, for the first time, reports results on adopting prompt-based training of transformers for scholarly knowledge graph object prediction. The work is unique in the following two main aspects. 1) It deviates from the other works proposing entity and relation extraction pipelines for predicting objects of a scholarly knowledge graph. 2) While other works have tested the method on text genera relatively close to the general knowledge domain, we test the method for a significantly different domain, i.e. scholarly knowledge, in turn testing the linguistic, probabilistic, and factual generalizability of these large-scale transformer models. We find that (i) per expectations, transformer models when tested out-of-the-box underperform on a new domain of data, (ii) prompt-based training of the models achieve performance boosts of up to 40\% in a relaxed evaluation setting, and (iii) testing the models on a starkly different domain even with a clever training objective in a low resource setting makes evident the domain knowledge capture gap offering an empirically-verified incentive for investing more attention and resources to the scholarly domain in the context of transformer models.

  • 3 authors
·
May 22, 2023

Document AI: A Comparative Study of Transformer-Based, Graph-Based Models, and Convolutional Neural Networks For Document Layout Analysis

Document AI aims to automatically analyze documents by leveraging natural language processing and computer vision techniques. One of the major tasks of Document AI is document layout analysis, which structures document pages by interpreting the content and spatial relationships of layout, image, and text. This task can be image-centric, wherein the aim is to identify and label various regions such as authors and paragraphs, or text-centric, where the focus is on classifying individual words in a document. Although there are increasingly sophisticated methods for improving layout analysis, doubts remain about the extent to which their findings can be generalized to a broader context. Specifically, prior work developed systems based on very different architectures, such as transformer-based, graph-based, and CNNs. However, no work has mentioned the effectiveness of these models in a comparative analysis. Moreover, while language-independent Document AI models capable of knowledge transfer have been developed, it remains to be investigated to what degree they can effectively transfer knowledge. In this study, we aim to fill these gaps by conducting a comparative evaluation of state-of-the-art models in document layout analysis and investigating the potential of cross-lingual layout analysis by utilizing machine translation techniques.

  • 3 authors
·
Aug 29, 2023

Can Representation Gaps Be the Key to Enhancing Robustness in Graph-Text Alignment?

Representation learning on text-attributed graphs (TAGs) integrates structural connectivity with rich textual semantics, enabling applications in diverse domains. Current methods largely rely on contrastive learning to maximize cross-modal similarity, assuming tighter coupling between graph and text representations improves transfer performance. However, our empirical analysis reveals that both natural gap expansion and forced gap reduction result in performance degradation by disrupting pre-trained knowledge structures and impairing generalization. This arises from the geometric incompatibility between encoders, where graph encoders capture topological patterns, while text encoders capture semantic structures. Over-alignment compresses these distinct spaces into shared subspaces, causing structure collapse that diminishes both topological reasoning and semantic understanding. We propose LLM4GTA, a gap-aware alignment framework that preserves representation gaps as geometric necessities for maintaining modality-specific knowledge and improving transfer performance. LLM4GTA includes an adaptive gap preservation module to prevent over-alignment by monitoring similarity evolution and an intra-modal compensation mechanism that boosts discriminative power using auxiliary classifiers in graph space. Extensive experiments show significant improvements over existing methods in zero-shot and few-shot scenarios.

  • 9 authors
·
Oct 13, 2025

ShellElastic: Scalable Elastic Pretraining with Simultaneous Maximal Updates and Hyperparameter Transfer

Foundation models need to support diverse inference budgets, yet training a separate model for each budget duplicates pretraining effort. Elastic models train several nested sub-networks inside one weight-shared supernet, but existing recipes face three obstacles: variable per-step workloads that hinder distributed scaling, limited hyperparameter (HP) transfer across model sizes, and no guarantee that all sub-networks are maximally updated at once. We present \Ours, an elastic transformer that organizes hidden dimensions into a dense core and successive shells, so that every hidden matrix is block lower triangular. One full-width forward pass contains every sub-network's exact hidden states as prefixes, so joint training keeps a fixed computation graph and costs about as much per step as training the widest sub-network alone. We further introduce \muE, an extension of maximal update parameterization (\mup) to \Ours and other elastic architectures. Its scaling rules provably keep all sub-networks of a supernet maximally updated simultaneously (\muI), and keep doing so when the supernet is widened or given more shells; sweeps confirm that HPs tuned on a small non-elastic proxy stay near-optimal for elastic families and larger supernets (\muT). A single \Ours run produces sub-networks that outperform MatFormer and fully elastic baselines at matched parameter counts, and approach separately trained models that together take several times the steps.

  • 8 authors
·
Oct 9 1

From Instance Selection to Fixed-Pool Data Recipe Search for Supervised Fine-Tuning

Supervised fine-tuning (SFT) data selection is commonly formulated as instance ranking: score each example and retain a top-k subset. However, effective SFT training subsets are often produced through ordered curation recipes, where filtering, mixing, and deduplication operators jointly shape the final data distribution. We formulate this problem as fixed-pool data recipe search: given a raw instruction pool and a library of grounded operators, the goal is to discover an executable recipe that constructs a high-quality selected subset under a limited budget of full SFT evaluations, without generating, rewriting, or augmenting training samples. We introduce AutoSelection, a two-layer solver that decouples fixed-pool materialization based on cached task-, data-, and model-side signals from expensive full evaluation, using warmup probes, realized subset states, local recipe edits, Gaussian-process-assisted ranking, and stagnation-triggered reseeding. Experiments on a 90K instruction pool show that AutoSelection achieves the strongest in-distribution reasoning average across three base models, outperforming full-data training, random recipe search, random top-k, and single-operator selectors. Additional Out-of-distribution graph-reasoning results, search-stability analyses, structural ablations, and 1.5B-to-7B transfer checks further show that recipe structure matters beyond individual selection operators. Code is available at https://github.com/w253/AutoSelection.

  • 4 authors
·
May 12 1

Do Satellites See Commuters? A Critical Benchmark of Vision Foundation Models

Satellite foundation models offer a globally available alternative to census data for commuting origin-destination (OD) generation, yet no study has systematically compared encoder paradigms within a single downstream pipeline. We ablate four satellite vision encoders: language-supervised (RemoteCLIP), self-supervised (DINOv3), and geographically grounded (SatCLIP, AlphaEarth) within an identical WeDAN graph diffusion framework across 1,925 US counties, 325 UK districts, and 14 global cities under five random seeds. Three main findings emerge. First, language-supervised features achieve the strongest in-distribution performance (RemoteCLIP CPC 0.602), while geographically grounded encoders transfer more reliably zero-shot: AlphaEarth improves CPC by 33% over RemoteCLIP on UK districts. Second, pretraining corpus scale alone is insufficient: DINOv3, trained on a substantially larger satellite corpus, underperforms RemoteCLIP by 0.091 CPC in-distribution and collapses to CPC 0.022 globally. Third, no encoder transfers usefully to global cities (best CPC 0.122 for RemoteCLIP, 0.022 for DINOv3), confirming cross-continental OD generation remains an open problem. We additionally clarify the semantics of the census noise parameter η, whose ordering reverses under cross-continental evaluation, a distinction critical to correctly interpreting prior results. Training scripts and evaluation logs will be released.

A survey of synthetic data augmentation methods in computer vision

The standard approach to tackling computer vision problems is to train deep convolutional neural network (CNN) models using large-scale image datasets which are representative of the target task. However, in many scenarios, it is often challenging to obtain sufficient image data for the target task. Data augmentation is a way to mitigate this challenge. A common practice is to explicitly transform existing images in desired ways so as to create the required volume and variability of training data necessary to achieve good generalization performance. In situations where data for the target domain is not accessible, a viable workaround is to synthesize training data from scratch--i.e., synthetic data augmentation. This paper presents an extensive review of synthetic data augmentation techniques. It covers data synthesis approaches based on realistic 3D graphics modeling, neural style transfer (NST), differential neural rendering, and generative artificial intelligence (AI) techniques such as generative adversarial networks (GANs) and variational autoencoders (VAEs). For each of these classes of methods, we focus on the important data generation and augmentation techniques, general scope of application and specific use-cases, as well as existing limitations and possible workarounds. Additionally, we provide a summary of common synthetic datasets for training computer vision models, highlighting the main features, application domains and supported tasks. Finally, we discuss the effectiveness of synthetic data augmentation methods. Since this is the first paper to explore synthetic data augmentation methods in great detail, we are hoping to equip readers with the necessary background information and in-depth knowledge of existing methods and their attendant issues.

  • 3 authors
·
Mar 17, 2024

AIO-P: Expanding Neural Performance Predictors Beyond Image Classification

Evaluating neural network performance is critical to deep neural network design but a costly procedure. Neural predictors provide an efficient solution by treating architectures as samples and learning to estimate their performance on a given task. However, existing predictors are task-dependent, predominantly estimating neural network performance on image classification benchmarks. They are also search-space dependent; each predictor is designed to make predictions for a specific architecture search space with predefined topologies and set of operations. In this paper, we propose a novel All-in-One Predictor (AIO-P), which aims to pretrain neural predictors on architecture examples from multiple, separate computer vision (CV) task domains and multiple architecture spaces, and then transfer to unseen downstream CV tasks or neural architectures. We describe our proposed techniques for general graph representation, efficient predictor pretraining and knowledge infusion techniques, as well as methods to transfer to downstream tasks/spaces. Extensive experimental results show that AIO-P can achieve Mean Absolute Error (MAE) and Spearman's Rank Correlation (SRCC) below 1% and above 0.5, respectively, on a breadth of target downstream CV tasks with or without fine-tuning, outperforming a number of baselines. Moreover, AIO-P can directly transfer to new architectures not seen during training, accurately rank them and serve as an effective performance estimator when paired with an algorithm designed to preserve performance while reducing FLOPs.

  • 9 authors
·
Nov 30, 2022

Integrating Efficient Optimal Transport and Functional Maps For Unsupervised Shape Correspondence Learning

In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.

  • 5 authors
·
Mar 4, 2024

InfGraND: An Influence-Guided GNN-to-MLP Knowledge Distillation

Graph Neural Networks (GNNs) are the go-to model for graph data analysis. However, GNNs rely on two key operations - aggregation and update, which can pose challenges for low-latency inference tasks or resource-constrained scenarios. Simple Multi-Layer Perceptrons (MLPs) offer a computationally efficient alternative. Yet, training an MLP in a supervised setting often leads to suboptimal performance. Knowledge Distillation (KD) from a GNN teacher to an MLP student has emerged to bridge this gap. However, most KD methods either transfer knowledge uniformly across all nodes or rely on graph-agnostic indicators such as prediction uncertainty. We argue this overlooks a more fundamental, graph-centric inquiry: "How important is a node to the structure of the graph?" We introduce a framework, InfGraND, an Influence-guided Graph KNowledge Distillation from GNN to MLP that addresses this by identifying and prioritizing structurally influential nodes to guide the distillation process, ensuring that the MLP learns from the most critical parts of the graph. Additionally, InfGraND embeds structural awareness in MLPs through one-time multi-hop neighborhood feature pre-computation, which enriches the student MLP's input and thus avoids inference-time overhead. Our rigorous evaluation in transductive and inductive settings across seven homophilic graph benchmark datasets shows InfGraND consistently outperforms prior GNN to MLP KD methods, demonstrating its practicality for numerous latency-critical applications in real-world settings.

  • 4 authors
·
Jan 11

DexGrasp-Zero: A Morphology-Aligned Policy for Zero-Shot Cross-Embodiment Dexterous Grasping

To meet the demands of increasingly diverse dexterous hand hardware, it is crucial to develop a policy that enables zero-shot cross-embodiment grasping without redundant re-learning. Cross-embodiment alignment is challenging due to heterogeneous hand kinematics and physical constraints. Existing approaches typically predict intermediate motion targets and retarget them to each embodiment, which may introduce errors and violate embodiment-specific limits, hindering transfer across diverse hands. To overcome these limitations, we propose DexGrasp-Zero, a policy that learns universal grasping skills from diverse embodiments, enabling zero-shot transfer to unseen hands. We first introduce a morphology-aligned graph representation that maps each hand's kinematic keypoints to anatomically grounded nodes and equips each node with tri-axial orthogonal motion primitives, enabling structural and semantic alignment across different morphologies. Relying on this graph-based representation, we design a Morphology-Aligned Graph Convolutional Network (MAGCN) to encode the graph for policy learning. MAGCN incorporates a Physical Property Injection mechanism that fuses hand-specific physical constraints into the graph features, enabling adaptive compensation for varying link lengths and actuation limits for precise and stable grasping. Our extensive simulation evaluations on the YCB dataset demonstrate that our policy, jointly trained on four heterogeneous hands (Allegro, Shadow, Schunk, Ability), achieves an 85% zero-shot success rate on unseen hardware (LEAP, Inspire), outperforming the state-of-the-art method by 59.5%. Real-world experiments further evaluate our policy on three robot platforms (LEAP, Inspire, Revo2), achieving an 82% average success rate on unseen objects.

  • 7 authors
·
Mar 17

Agora: Git as Shared Memory for Collective AutoResearch

Autonomous research loops such as AutoResearch show that one coding agent can improve a training setup unattended. Run several of them and each session starts from scratch, so more agents tend to mean more duplicated search rather than more discovery. Agora is a shared memory for such agents: research is recorded as an append-only directed acyclic graph (DAG) stored in Git, so that every claim is a commit anyone can check out and rerun. Each result, insight, hypothesis, verification, and report is an immutable commit whose parent edges say what it builds on; a derived index exposes the frontier, the neglected branches, and the verification status of each claim, and a diversity-aware selection rule keeps the community from collapsing onto one leader. We describe the system and report its first sustained use: a run of nearly 12 days in which 13 language-model workers, with no assigned tasks and no central planner, worked on a weight-transfer problem. Given 141 pretrained donor models and a frozen 119.6M-parameter attention-SSM hybrid whose dimensions match no donor, the workers had to initialize the target without training data or gradient updates. They published 1,703 contributions and drove the evaluator from 3.39 to 1.899 bits per byte, closing 62% of the gap to a trained GPT-2 124M. The winning recipe compresses donor next-token statistics into the target's embedding and output head, then adds a short-range context signal through sparse edits to attention, feed-forward, and state-space blocks. Its 145-commit ancestry spans 15 accounts, and 165 independent reproductions were posted, none of which failed. We describe the single mid-run human intervention that pulled the community out of a monoculture, what the trace does and does not establish, and the controlled comparison that would settle whether shared research state improves discovery per unit of compute.

nvidia NVIDIA
·
Sep 15 3

p-Laplacian Adaptation for Generative Pre-trained Vision-Language Models

Vision-Language models (VLMs) pre-trained on large corpora have demonstrated notable success across a range of downstream tasks. In light of the rapidly increasing size of pre-trained VLMs, parameter-efficient transfer learning (PETL) has garnered attention as a viable alternative to full fine-tuning. One such approach is the adapter, which introduces a few trainable parameters into the pre-trained models while preserving the original parameters during adaptation. In this paper, we present a novel modeling framework that recasts adapter tuning after attention as a graph message passing process on attention graphs, where the projected query and value features and attention matrix constitute the node features and the graph adjacency matrix, respectively. Within this framework, tuning adapters in VLMs necessitates handling heterophilic graphs, owing to the disparity between the projected query and value space. To address this challenge, we propose a new adapter architecture, p-adapter, which employs p-Laplacian message passing in Graph Neural Networks (GNNs). Specifically, the attention weights are re-normalized based on the features, and the features are then aggregated using the calibrated attention matrix, enabling the dynamic exploitation of information with varying frequencies in the heterophilic attention graphs. We conduct extensive experiments on different pre-trained VLMs and multi-modal tasks, including visual question answering, visual entailment, and image captioning. The experimental results validate our method's significant superiority over other PETL methods.

  • 6 authors
·
Dec 17, 2023

Unified Work Embeddings: Contrastive Learning of a Bidirectional Multi-task Ranker

Workforce transformation across diverse industries has driven an increased demand for specialized natural language processing capabilities. Nevertheless, tasks derived from work-related contexts inherently reflect real-world complexities, characterized by long-tailed distributions, extreme multi-label target spaces, and scarce data availability. The rise of generalist embedding models prompts the question of their performance in the work domain, especially as progress in the field has focused mainly on individual tasks. To this end, we introduce WorkBench, the first unified evaluation suite spanning six work-related tasks formulated explicitly as ranking problems, establishing a common ground for multi-task progress. Based on this benchmark, we find significant positive cross-task transfer, and use this insight to compose task-specific bipartite graphs from real-world data, synthetically enriched through grounding. This leads to Unified Work Embeddings (UWE), a task-agnostic bi-encoder that exploits our training-data structure with a many-to-many InfoNCE objective, and leverages token-level embeddings with task-agnostic soft late interaction. UWE demonstrates zero-shot ranking performance on unseen target spaces in the work domain, enables low-latency inference by caching the task target space embeddings, and shows significant gains in macro-averaged MAP and RP@10 over generalist embedding models.

TechWolf TechWolf
·
Nov 11, 2025

TRAVELFRAUDBENCH: A Configurable Evaluation Framework for GNN Fraud Ring Detection in Travel Networks

We introduce TravelFraudBench (TFG), a configurable benchmark for evaluating graph neural networks (GNNs) on fraud ring detection in travel platform graphs. Existing benchmarks--YelpChi, Amazon-Fraud, Elliptic, PaySim--cover single node types or domain-generic patterns with no mechanism to evaluate across structurally distinct fraud ring topologies. TFG simulates three travel-specific ring types--ticketing fraud (star topology with shared device/IP clusters), ghost hotel schemes (reviewer x hotel bipartite cliques), and account takeover rings (loyalty transfer chains)--in a heterogeneous graph with 9 node types and 12 edge types. Ring size, count, fraud rate, scale (500 to 200,000 nodes), and composition are fully configurable. We evaluate six methods--MLP, GraphSAGE, RGCN-proj, HAN, RGCN, and PC-GNN--under a ring-based split where each ring appears entirely in one partition, eliminating transductive label leakage. GraphSAGE achieves AUC=0.992 and RGCN-proj AUC=0.987, outperforming the MLP baseline (AUC=0.938) by 5.5 and 5.0 pp, confirming graph structure adds substantial discriminative power. HAN (AUC=0.935) is a negative result, matching the MLP baseline. On the ring recovery task (>=80% of ring members flagged simultaneously), GraphSAGE achieves 100% recovery across all ring types; MLP recovers only 17-88%. The edge-type ablation shows device and IP co-occurrence are the primary signals: removing uses_device drops AUC by 5.2 pp. TFG is released as an open-source Python package (MIT license) with PyG, DGL, and NetworkX exporters and pre-generated datasets at https://huggingface.co/datasets/bsajja7/travel-fraud-graphs, with Croissant metadata including Responsible AI fields.

  • 1 authors
·
Apr 21

Disentangled Structural and Featural Representation for Task-Agnostic Graph Valuation

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

  • 2 authors
·
Aug 22, 2024