Rong Zhou

Zhiling Yan, Kai Zhang, Rong Zhou et al.

In this paper, we critically evaluate the capabilities of the state-of-the-art multimodal large language model, i.e., GPT-4 with Vision (GPT-4V), on Visual Question Answering (VQA) task. Our experiments thoroughly assess GPT-4V's proficiency in answering questions paired with images using both pathology and radiology datasets from 11 modalities (e.g. Microscopy, Dermoscopy, X-ray, CT, etc.) and fifteen objects of interests (brain, liver, lung, etc.). Our datasets encompass a comprehensive range of medical inquiries, including sixteen distinct question types. Throughout our evaluations, we devised textual prompts for GPT-4V, directing it to synergize visual and textual information. The experiments with accuracy score conclude that the current version of GPT-4V is not recommended for real-world diagnostics due to its unreliable and suboptimal accuracy in responding to diagnostic medical questions. In addition, we delineate seven unique facets of GPT-4V's behavior in medical VQA, highlighting its constraints within this complex arena. The complete details of our evaluation cases are accessible at https://github.com/ZhilingYan/GPT4V-Medical-Report.

Rong Zhou, Zhengqing Yuan, Zhiling Yan et al.

Biomedical image segmentation is crucial for accurately diagnosing and analyzing various diseases. However, Convolutional Neural Networks (CNNs) and Transformers, the most commonly used architectures for this task, struggle to effectively capture long-range dependencies due to the inherent locality of CNNs and the computational complexity of Transformers. To address this limitation, we introduce TTT-Unet, a novel framework that integrates Test-Time Training (TTT) layers into the traditional U-Net architecture for biomedical image segmentation. TTT-Unet dynamically adjusts model parameters during the testing time, enhancing the model's ability to capture both local and long-range features. We evaluate TTT-Unet on multiple medical imaging datasets, including 3D abdominal organ segmentation in CT and MR images, instrument segmentation in endoscopy images, and cell segmentation in microscopy images. The results demonstrate that TTT-Unet consistently outperforms state-of-the-art CNN-based and Transformer-based segmentation models across all tasks. The code is available at https://github.com/rongzhou7/TTT-Unet.

Yuemeng Li, Miguel Romanello Joaquim, Stephen Pickup et al.

Purpose: To accelerate radially sampled diffusion weighted spin-echo (Rad-DW-SE) acquisition method for generating high quality apparent diffusion coefficient (ADC) maps. Methods: A deep learning method was developed to generate accurate ADC maps from accelerated DWI data acquired with the Rad-DW-SE method. The deep learning method integrates convolutional neural networks (CNNs) with vision transformers to generate high quality ADC maps from accelerated DWI data, regularized by a monoexponential ADC model fitting term. A model was trained on DWI data of 147 mice and evaluated on DWI data of 36 mice, with acceleration factors of 4x and 8x compared to the original acquisition parameters. We have made our code publicly available at GitHub: https://github.com/ymli39/DeepADC-Net-Learning-Apparent-Diffusion-Coefficient-Maps, and our dataset can be downloaded at https://pennpancreaticcancerimagingresource.github.io/data.html. Results: Ablation studies and experimental results have demonstrated that the proposed deep learning model generates higher quality ADC maps from accelerated DWI data than alternative deep learning methods under comparison when their performance is quantified in whole images as well as in regions of interest, including tumors, kidneys, and muscles. Conclusions: The deep learning method with integrated CNNs and transformers provides an effective means to accurately compute ADC maps from accelerated DWI data acquired with the Rad-DW-SE method.

Rong Zhou, Houliang Zhou, Yao Su et al.

Multimodal neuroimaging provides complementary insights for Alzheimer's disease diagnosis, yet clinical datasets frequently suffer from missing modalities. We propose ACADiff, a framework that synthesizes missing brain imaging modalities through adaptive clinical-aware diffusion. ACADiff learns mappings between incomplete multimodal observations and target modalities by progressively denoising latent representations while attending to available imaging data and clinical metadata. The framework employs adaptive fusion that dynamically reconfigures based on input availability, coupled with semantic clinical guidance via GPT-4o-encoded prompts. Three specialized generators enable bidirectional synthesis among sMRI, FDG-PET, and AV45-PET. Evaluated on ADNI subjects, ACADiff achieves superior generation quality and maintains robust diagnostic performance even under extreme 80\% missing scenarios, outperforming all existing baselines. To promote reproducibility, code is available at https://github.com/rongzhou7/ACADiff

Zhiling Yan, Weixiang Sun, Rong Zhou et al.

Medical image segmentation and video object segmentation are essential for diagnosing and analyzing diseases by identifying and measuring biological structures. Recent advances in natural domain have been driven by foundation models like the Segment Anything Model 2 (SAM-2). To explore the performance of SAM-2 in biomedical applications, we designed three evaluation pipelines for single-frame 2D image segmentation, multi-frame 3D image segmentation and multi-frame video segmentation with varied prompt designs, revealing SAM-2's limitations in medical contexts. Consequently, we developed BioSAM-2, an enhanced foundation model optimized for biomedical data based on SAM-2. Our experiments show that BioSAM-2 not only surpasses the performance of existing state-of-the-art foundation models but also matches or even exceeds specialist models, demonstrating its efficacy and potential in the medical domain.

Xuetong Wang, Kanhao Zhao, Rong Zhou et al.

Normative modeling is an emerging and promising approach to effectively study disorder heterogeneity in individual participants. In this study, we propose a novel normative modeling method by combining conditional variational autoencoder with adversarial learning (ACVAE) to identify brain dysfunction in Alzheimer's Disease (AD). Specifically, we first train a conditional VAE on the healthy control (HC) group to create a normative model conditioned on covariates like age, gender and intracranial volume. Then we incorporate an adversarial training process to construct a discriminative feature space that can better generalize to unseen data. Finally, we compute deviations from the normal criterion at the patient level to determine which brain regions were associated with AD. Our experiments on OASIS-3 database show that the deviation maps generated by our model exhibit higher sensitivity to AD compared to other deep normative models, and are able to better identify differences between the AD and HC groups.

Jun Yu, Yutong Dai, Xiaokang Liu et al.

MTL is a learning paradigm that effectively leverages both task-specific and shared information to address multiple related tasks simultaneously. In contrast to STL, MTL offers a suite of benefits that enhance both the training process and the inference efficiency. MTL's key advantages encompass streamlined model architecture, performance enhancement, and cross-domain generalizability. Over the past twenty years, MTL has become widely recognized as a flexible and effective approach in various fields, including CV, NLP, recommendation systems, disease prognosis and diagnosis, and robotics. This survey provides a comprehensive overview of the evolution of MTL, encompassing the technical aspects of cutting-edge methods from traditional approaches to deep learning and the latest trend of pretrained foundation models. Our survey methodically categorizes MTL techniques into five key areas: regularization, relationship learning, feature propagation, optimization, and pre-training. This categorization not only chronologically outlines the development of MTL but also dives into various specialized strategies within each category. Furthermore, the survey reveals how the MTL evolves from handling a fixed set of tasks to embracing a more flexible approach free from task or modality constraints. It explores the concepts of task-promptable and -agnostic training, along with the capacity for ZSL, which unleashes the untapped potential of this historically coveted learning paradigm. Overall, we hope this survey provides the research community with a comprehensive overview of the advancements in MTL from its inception in 1997 to the present in 2023. We address present challenges and look ahead to future possibilities, shedding light on the opportunities and potential avenues for MTL research in a broad manner. This project is publicly available at https://github.com/junfish/Awesome-Multitask-Learning.

Zhiling Yan, Sifan Song, Dingjie Song et al.

Recent "segment anything" efforts show promise by learning from large-scale data, but adapting such models directly to medical images remains challenging due to the complexity of medical data, noisy annotations, and continual learning requirements across diverse modalities and anatomical structures. In this work, we propose SAMed-2, a new foundation model for medical image segmentation built upon the SAM-2 architecture. Specifically, we introduce a temporal adapter into the image encoder to capture image correlations and a confidence-driven memory mechanism to store high-certainty features for later retrieval. This memory-based strategy counters the pervasive noise in large-scale medical datasets and mitigates catastrophic forgetting when encountering new tasks or modalities. To train and evaluate SAMed-2, we curate MedBank-100k, a comprehensive dataset spanning seven imaging modalities and 21 medical segmentation tasks. Our experiments on both internal benchmarks and 10 external datasets demonstrate superior performance over state-of-the-art baselines in multi-task scenarios. The code is available at: https://github.com/ZhilingYan/Medical-SAM-Bench.

Zhengqing Yuan, Rong Zhou, Hongyi Wang et al.

Vision Transformers (ViTs) have achieved remarkable performance in various image classification tasks by leveraging the attention mechanism to process image patches as tokens. However, the high computational and memory demands of ViTs pose significant challenges for deployment in resource-constrained environments. This paper introduces ViT-1.58b, a novel 1.58-bit quantized ViT model designed to drastically reduce memory and computational overhead while preserving competitive performance. ViT-1.58b employs ternary quantization, which refines the balance between efficiency and accuracy by constraining weights to {-1, 0, 1} and quantizing activations to 8-bit precision. Our approach ensures efficient scaling in terms of both memory and computation. Experiments on CIFAR-10 and ImageNet-1k demonstrate that ViT-1.58b maintains comparable accuracy to full-precision Vit, with significant reductions in memory usage and computational costs. This paper highlights the potential of extreme quantization techniques in developing sustainable AI solutions and contributes to the broader discourse on efficient model deployment in practical applications. Our code and weights are available at https://github.com/DLYuanGod/ViT-1.58b.

Songlin Zhao, Rong Zhou, Yu Zhang et al.

In this paper, we introduce a novel normative modeling approach that incorporates focal loss and adversarial autoencoders (FAAE) for Alzheimer's Disease (AD) diagnosis and biomarker identification. Our method is an end-to-end approach that embeds an adversarial focal loss discriminator within the autoencoder structure, specifically designed to effectively target and capture more complex and challenging cases. We first use the enhanced autoencoder to create a normative model based on data from healthy control (HC) individuals. We then apply this model to estimate total and regional neuroanatomical deviation in AD patients. Through extensive experiments on the OASIS-3 and ADNI datasets, our approach significantly outperforms previous state-of-the-art methods. This advancement not only streamlines the detection process but also provides a greater insight into the biomarker potential for AD. Our code can be found at \url{https://github.com/soz223/FAAE}.

Kai Zhang, Rong Zhou, Eashan Adhikarla et al.

Traditional biomedical artificial intelligence (AI) models, designed for specific tasks or modalities, often exhibit limited flexibility in real-world deployment and struggle to utilize holistic information. Generalist AI holds the potential to address these limitations due to its versatility in interpreting different data types and generating tailored outputs for diverse needs. However, existing biomedical generalist AI solutions are typically heavyweight and closed source to researchers, practitioners, and patients. Here, we propose BiomedGPT, the first open-source and lightweight vision-language foundation model, designed as a generalist capable of performing various biomedical tasks. BiomedGPT achieved state-of-the-art results in 16 out of 25 experiments while maintaining a computing-friendly model scale. We also conducted human evaluations to assess the capabilities of BiomedGPT in radiology visual question answering, report generation, and summarization. BiomedGPT exhibits robust prediction ability with a low error rate of 3.8% in question answering, satisfactory performance with an error rate of 8.3% in writing complex radiology reports, and competitive summarization ability with a nearly equivalent preference score to human experts. Our method demonstrates that effective training with diverse data can lead to more practical biomedical AI for improving diagnosis and workflow efficiency.

Xinxu Wei, Rong Zhou, Lifang He et al.

With the growing interest in foundation models for brain signals, graph-based pretraining has emerged as a promising paradigm for learning transferable representations from connectome data. However, existing contrastive and masked autoencoder methods typically rely on naive random dropping or masking for augmentation, which is ill-suited for brain graphs and hypergraphs as it disrupts semantically meaningful connectivity patterns. Moreover, commonly used graph-level readout and reconstruction schemes fail to capture global structural information, limiting the robustness of learned representations. In this work, we propose a unified diffusion-based pretraining framework that addresses both limitations. First, diffusion is designed to guide structure-aware dropping and masking strategies, preserving brain graph semantics while maintaining effective pretraining diversity. Second, diffusion enables topology-aware graph-level readout and node-level global reconstruction by allowing graph embeddings and masked nodes to aggregate information from globally related regions. Extensive experiments across multiple neuroimaging datasets with over 25,000 subjects and 60,000 scans involving various mental disorders and brain atlases demonstrate consistent performance improvements.

Guiyao Tie, Zeli Zhao, Dingjie Song et al.

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained architectures often reveal limitations in specialized contexts, including restricted reasoning capacities, ethical uncertainties, and suboptimal domain-specific performance. These challenges necessitate advanced post-training language models (PoLMs) to address these shortcomings, such as OpenAI-o1/o3 and DeepSeek-R1 (collectively known as Large Reasoning Models, or LRMs). This paper presents the first comprehensive survey of PoLMs, systematically tracing their evolution across five core paradigms: Fine-tuning, which enhances task-specific accuracy; Alignment, which ensures ethical coherence and alignment with human preferences; Reasoning, which advances multi-step inference despite challenges in reward design; Efficiency, which optimizes resource utilization amidst increasing complexity; Integration and Adaptation, which extend capabilities across diverse modalities while addressing coherence issues. Charting progress from ChatGPT's alignment strategies to DeepSeek-R1's innovative reasoning advancements, we illustrate how PoLMs leverage datasets to mitigate biases, deepen reasoning capabilities, and enhance domain adaptability. Our contributions include a pioneering synthesis of PoLM evolution, a structured taxonomy categorizing techniques and datasets, and a strategic agenda emphasizing the role of LRMs in improving reasoning proficiency and domain flexibility. As the first survey of its scope, this work consolidates recent PoLM advancements and establishes a rigorous intellectual framework for future research, fostering the development of LLMs that excel in precision, ethical robustness, and versatility across scientific and societal applications.

Xirui Liu, Sihang Zhou, Yanning Hou et al.

Web agents require both high-level reasoning (for task decomposition) and low-level interactions (for page elements manipulation) to conduct different tasks. However, these knowledge types differ fundamentally: reasoning knowledge (e.g., booking a flight requires first searching for routes) is abstract and transferable across websites, while interaction knowledge (e.g., clicking the Search button at a specific coordinate on Site A) depends heavily on page-specific contexts. Existing methods store experiences uniformly. This creates a dilemma: abstract representations lose executability on concrete pages, while concrete representations fail to generalize across domains. This entanglement limits capability accumulation: on new websites, agents either fail to recognize reusable task logic due to surface-level differences or attempt infeasible actions from outdated page structures. To disentangle them, we propose DRIVE, a dual-level skill modeling framework separating historical experience into natural language reasoning skills, which capture transferable task logic, and programmatic interaction skills, grounding abstract actions to executable operations. A scene-aware coordination mechanism adaptively retrieves and invokes these dual-level skills based on task semantics. DRIVE also uses skill-level reflection to identify hierarchy-specific failure modes, enabling targeted skill library expansion and refinement. Experiments across five WebArena domains show DRIVE attains an average task success rate of 52.8%, exceeding the skill-free baseline by 7.3 percentage points. Further ablations show reasoning and interaction skills provide distinct, complementary benefits, supporting separation of transferable task logic from executable page-level operations.

Xinpeng Wang, Rong Zhou, Han Xie et al.

Multimodal Federated Learning (MFL) has emerged as a promising approach for collaboratively training multimodal models across distributed clients, particularly in healthcare domains. In the context of brain imaging analysis, modality incompleteness presents a significant challenge, where some institutions may lack specific imaging modalities (e.g., PET, MRI, or CT) due to privacy concerns, device limitations, or data availability issues. While existing work typically assumes modality completeness or oversimplifies missing-modality scenarios, we simulate a more realistic setting by considering both client-level and instance-level modality incompleteness in this study. Building on this realistic simulation, we propose ClusMFL, a novel MFL framework that leverages feature clustering for cross-institutional brain imaging analysis under modality incompleteness. Specifically, ClusMFL utilizes the FINCH algorithm to construct a pool of cluster centers for the feature embeddings of each modality-label pair, effectively capturing fine-grained data distributions. These cluster centers are then used for feature alignment within each modality through supervised contrastive learning, while also acting as proxies for missing modalities, allowing cross-modal knowledge transfer. Furthermore, ClusMFL employs a modality-aware aggregation strategy, further enhancing the model's performance in scenarios with severe modality incompleteness. We evaluate the proposed framework on the ADNI dataset, utilizing structural MRI and PET scans. Extensive experimental results demonstrate that ClusMFL achieves state-of-the-art performance compared to various baseline methods across varying levels of modality incompleteness, providing a scalable solution for cross-institutional brain imaging analysis.

Rong Zhou, Dongping Chen, Zihan Jia et al.

Digital twins, as precise digital representations of physical systems, have evolved from passive simulation tools into intelligent and autonomous entities through the integration of artificial intelligence technologies. This paper presents a unified four-stage framework that systematically characterizes AI integration across the digital twin lifecycle, spanning modeling, mirroring, intervention, and autonomous management. By synthesizing existing technologies and practices, we distill a unified four-stage framework that systematically characterizes how AI methodologies are embedded across the digital twin lifecycle: (1) modeling the physical twin through physics-based and physics-informed AI approaches, (2) mirroring the physical system into a digital twin with real-time synchronization, (3) intervening in the physical twin through predictive modeling, anomaly detection, and optimization strategies, and (4) achieving autonomous management through large language models, foundation models, and intelligent agents. We analyze the synergy between physics-based modeling and data-driven learning, highlighting the shift from traditional numerical solvers to physics-informed and foundation models for physical systems. Furthermore, we examine how generative AI technologies, including large language models and generative world models, transform digital twins into proactive and self-improving cognitive systems capable of reasoning, communication, and creative scenario generation. Through a cross-domain review spanning eleven application domains, including healthcare, aerospace, smart manufacturing, robotics, and smart cities, we identify common challenges related to scalability, explainability, and trustworthiness, and outline directions for responsible AI-driven digital twin systems.

Houliang Zhou, Rong Zhou, Yangying Liu et al.

Identifying objective neuroimaging biomarkers to forecast Alzheimer's disease (AD) progression is crucial for timely intervention. However, this task remains challenging due to the complex dysfunctions in the spatio-temporal characteristics of underlying brain networks, which are often overlooked by existing methods. To address these limitations, we develop an interpretable spatio-temporal graph neural network framework to predict future AD progression, leveraging dual Stochastic Differential Equations (SDEs) to model the irregularly-sampled longitudinal functional magnetic resonance imaging (fMRI) data. We validate our approach on two independent cohorts, including the Open Access Series of Imaging Studies (OASIS-3) and the Alzheimer's Disease Neuroimaging Initiative (ADNI). Our framework effectively learns sparse regional and connective importance probabilities, enabling the identification of key brain circuit abnormalities associated with disease progression. Notably, we detect the parahippocampal cortex, prefrontal cortex, and parietal lobule as salient regions, with significant disruptions in the ventral attention, dorsal attention, and default mode networks. These abnormalities correlate strongly with longitudinal AD-related clinical symptoms. Moreover, our interpretability strategy reveals both established and novel neural systems-level and sex-specific biomarkers, offering new insights into the neurobiological mechanisms underlying AD progression. Our findings highlight the potential of spatio-temporal graph-based learning for early, individualized prediction of AD progression, even in the context of irregularly-sampled longitudinal imaging data.

Zhengqing Yuan, Weixiang Sun, Yixin Liu et al.

Large Language Models (LLMs) have driven significant progress, yet their growing parameter counts and context windows incur prohibitive compute, energy, and monetary costs. We introduce EfficientLLM, a novel benchmark and the first comprehensive empirical study evaluating efficiency techniques for LLMs at scale. Conducted on a production-class cluster (48xGH200, 8xH200 GPUs), our study systematically explores three key axes: (1) architecture pretraining (efficient attention variants: MQA, GQA, MLA, NSA; sparse Mixture-of-Experts (MoE)), (2) fine-tuning (parameter-efficient methods: LoRA, RSLoRA, DoRA), and (3) inference (quantization methods: int4, float16). We define six fine-grained metrics (Memory Utilization, Compute Utilization, Latency, Throughput, Energy Consumption, Compression Rate) to capture hardware saturation, latency-throughput balance, and carbon cost. Evaluating over 100 model-technique pairs (0.5B-72B parameters), we derive three core insights: (i) Efficiency involves quantifiable trade-offs: no single method is universally optimal; e.g., MoE reduces FLOPs and improves accuracy but increases VRAM by 40%, while int4 quantization cuts memory/energy by up to 3.9x at a 3-5% accuracy drop. (ii) Optima are task- and scale-dependent: MQA offers optimal memory-latency trade-offs for constrained devices, MLA achieves lowest perplexity for quality-critical tasks, and RSLoRA surpasses LoRA efficiency only beyond 14B parameters. (iii) Techniques generalize across modalities: we extend evaluations to Large Vision Models (Stable Diffusion 3.5, Wan 2.1) and Vision-Language Models (Qwen2.5-VL), confirming effective transferability. By open-sourcing datasets, evaluation pipelines, and leaderboards, EfficientLLM provides essential guidance for researchers and engineers navigating the efficiency-performance landscape of next-generation foundation models.

Zhangyu Wang, Siyuan Gao, Rong Zhou et al.

Large Language Models (LLMs) have achieved impressive progress in natural language processing, but their limited ability to retain long-term context constrains performance on document-level or multi-turn tasks. Retrieval-Augmented Generation (RAG) mitigates this by retrieving relevant information from an external corpus. However, existing RAG systems often rely on embedding-based retrieval trained on corpus-level semantic similarity, which can lead to retrieving content that is semantically similar in form but misaligned with the question's true intent. Furthermore, recent RAG variants construct graph- or hierarchy-based structures to improve retrieval accuracy, resulting in significant computation and storage overhead. In this paper, we propose an embedding-free retrieval framework. Our method leverages the logical inferencing ability of LLMs in retrieval using iterative search space refinement guided by our novel importance measure and extend our retrieval results with logically related information without explicit graph construction. Experiments on long-context QA benchmarks, including NovelQA and Marathon, show that our approach outperforms strong baselines while reducing storage and runtime by over an order of magnitude.

Yeqi Fang, Rong Zhou

Positron Emission Tomography (PET) is an important molecular imaging tool widely used in medicine. Traditional PET systems rely on complete detector rings for full angular coverage and reliable data collection. However, incomplete-ring PET scanners have emerged due to hardware failures, cost constraints, or specific clinical needs. Standard reconstruction algorithms often suffer from performance degradation with these systems because of reduced data completeness and geometric inconsistencies. We present a two-stage deep-learning framework that, without incorporating any time-of-flight (TOF) information, restores high-quality images from data with about 50% missing coincidences - double the loss levels previously addressed by CNN-based methods. The pipeline operates in two stages: a projection-domain Attention U-Net first predicts the missing sections of the sinogram by leveraging spatial context from neighbouring slices, after which the completed data are reconstructed with OSEM algorithm and passed to a U-Net-diffusion module that removes residual artefacts while reinstating high-frequency detail. Using 206 brain volumes from a public dataset, the result shows that our model successfully preserves most anatomical structures and tracer distribution features with PSNR of 30.92 dB and SSIM of 0.9708. We also achieve higher inference speed, thus providing an effective solution for incomplete-ring PET imaging.

Yiren Chen, Yaming Yang, Hong Sun et al.

Large-scale pre-trained models have attracted extensive attention in the research community and shown promising results on various tasks of natural language processing. However, these pre-trained models are memory and computation intensive, hindering their deployment into industrial online systems like Ad Relevance. Meanwhile, how to design an effective yet efficient model architecture is another challenging problem in online Ad Relevance. Recently, AutoML shed new lights on architecture design, but how to integrate it with pre-trained language models remains unsettled. In this paper, we propose AutoADR (Automatic model design for AD Relevance) -- a novel end-to-end framework to address this challenge, and share our experience to ship these cutting-edge techniques into online Ad Relevance system at Microsoft Bing. Specifically, AutoADR leverages a one-shot neural architecture search algorithm to find a tailored network architecture for Ad Relevance. The search process is simultaneously guided by knowledge distillation from a large pre-trained teacher model (e.g. BERT), while taking the online serving constraints (e.g. memory and latency) into consideration. We add the model designed by AutoADR as a sub-model into the production Ad Relevance model. This additional sub-model improves the Precision-Recall AUC (PR AUC) on top of the original Ad Relevance model by 2.65X of the normalized shipping bar. More importantly, adding this automatically designed sub-model leads to a statistically significant 4.6% Bad-Ad ratio reduction in online A/B testing. This model has been shipped into Microsoft Bing Ad Relevance Production model.

Nesreen K. Ahmed, Ryan Rossi, John Boaz Lee et al.

Random walks are at the heart of many existing network embedding methods. However, such algorithms have many limitations that arise from the use of random walks, e.g., the features resulting from these methods are unable to transfer to new nodes and graphs as they are tied to vertex identity. In this work, we introduce the Role2Vec framework which uses the flexible notion of attributed random walks, and serves as a basis for generalizing existing methods such as DeepWalk, node2vec, and many others that leverage random walks. Our proposed framework enables these methods to be more widely applicable for both transductive and inductive learning as well as for use on graphs with attributes (if available). This is achieved by learning functions that generalize to new nodes and graphs. We show that our proposed framework is effective with an average AUC improvement of 16.55% while requiring on average 853x less space than existing methods on a variety of graphs.

Ryan A. Rossi, Nesreen K. Ahmed, Hoda Eldardiry et al.

Multi-label classification is an important learning problem with many applications. In this work, we propose a principled similarity-based approach for multi-label learning called SML. We also introduce a similarity-based approach for predicting the label set size. The experimental results demonstrate the effectiveness of SML for multi-label classification where it is shown to compare favorably with a wide variety of existing algorithms across a range of evaluation criterion.

Nesreen K. Ahmed, Ryan A. Rossi, Rong Zhou et al.

Graphs (networks) are ubiquitous and allow us to model entities (nodes) and the dependencies (edges) between them. Learning a useful feature representation from graph data lies at the heart and success of many machine learning tasks such as classification, anomaly detection, link prediction, among many others. Many existing techniques use random walks as a basis for learning features or estimating the parameters of a graph model for a downstream prediction task. Examples include recent node embedding methods such as DeepWalk, node2vec, as well as graph-based deep learning algorithms. However, the simple random walk used by these methods is fundamentally tied to the identity of the node. This has three main disadvantages. First, these approaches are inherently transductive and do not generalize to unseen nodes and other graphs. Second, they are not space-efficient as a feature vector is learned for each node which is impractical for large graphs. Third, most of these approaches lack support for attributed graphs. To make these methods more generally applicable, we propose a framework for inductive network representation learning based on the notion of attributed random walk that is not tied to node identity and is instead based on learning a function $Φ: \mathrm{\rm \bf x} \rightarrow w$ that maps a node attribute vector $\mathrm{\rm \bf x}$ to a type $w$. This framework serves as a basis for generalizing existing methods such as DeepWalk, node2vec, and many other previous methods that leverage traditional random walks.

Nesreen K. Ahmed, Ryan A. Rossi, Rong Zhou et al.

Random walks are at the heart of many existing deep learning algorithms for graph data. However, such algorithms have many limitations that arise from the use of random walks, e.g., the features resulting from these methods are unable to transfer to new nodes and graphs as they are tied to node identity. In this work, we introduce the notion of attributed random walks which serves as a basis for generalizing existing methods such as DeepWalk, node2vec, and many others that leverage random walks. Our proposed framework enables these methods to be more widely applicable for both transductive and inductive learning as well as for use on graphs with attributes (if available). This is achieved by learning functions that generalize to new nodes and graphs. We show that our proposed framework is effective with an average AUC improvement of 16.1% while requiring on average 853 times less space than existing methods on a variety of graphs from several domains.

Ryan A. Rossi, Rong Zhou, Nesreen K. Ahmed

This paper presents a general graph representation learning framework called DeepGL for learning deep node and edge representations from large (attributed) graphs. In particular, DeepGL begins by deriving a set of base features (e.g., graphlet features) and automatically learns a multi-layered hierarchical graph representation where each successive layer leverages the output from the previous layer to learn features of a higher-order. Contrary to previous work, DeepGL learns relational functions (each representing a feature) that generalize across-networks and therefore useful for graph-based transfer learning tasks. Moreover, DeepGL naturally supports attributed graphs, learns interpretable features, and is space-efficient (by learning sparse feature vectors). In addition, DeepGL is expressive, flexible with many interchangeable components, efficient with a time complexity of $\mathcal{O}(|E|)$, and scalable for large networks via an efficient parallel implementation. Compared with the state-of-the-art method, DeepGL is (1) effective for across-network transfer learning tasks and attributed graph representation learning, (2) space-efficient requiring up to 6x less memory, (3) fast with up to 182x speedup in runtime performance, and (4) accurate with an average improvement of 20% or more on many learning tasks.

Ryan A. Rossi, Rong Zhou, Nesreen K. Ahmed

Graphlets are induced subgraphs of a large network and are important for understanding and modeling complex networks. Despite their practical importance, graphlets have been severely limited to applications and domains with relatively small graphs. Most previous work has focused on exact algorithms, however, it is often too expensive to compute graphlets exactly in massive networks with billions of edges, and finding an approximate count is usually sufficient for many applications. In this work, we propose an unbiased graphlet estimation framework that is (a) fast with significant speedups compared to the state-of-the-art, (b) parallel with nearly linear-speedups, (c) accurate with <1% relative error, (d) scalable and space-efficient for massive networks with billions of edges, and (e) flexible for a variety of real-world settings, as well as estimating macro and micro-level graphlet statistics (e.g., counts) of both connected and disconnected graphlets. In addition, an adaptive approach is introduced that finds the smallest sample size required to obtain estimates within a given user-defined error bound. On 300 networks from 20 domains, we obtain <1% relative error for all graphlets. This is significantly more accurate than existing methods while using less data. Moreover, it takes a few seconds on billion edge graphs (as opposed to days/weeks). These are by far the largest graphlet computations to date.

Nesreen K. Ahmed, Ryan A. Rossi, Theodore L. Willke et al.

Previous work in network analysis has focused on modeling the mixed-memberships of node roles in the graph, but not the roles of edges. We introduce the edge role discovery problem and present a generalizable framework for learning and extracting edge roles from arbitrary graphs automatically. Furthermore, while existing node-centric role models have mainly focused on simple degree and egonet features, this work also explores graphlet features for role discovery. In addition, we also develop an approach for automatically learning and extracting important and useful edge features from an arbitrary graph. The experimental results demonstrate the utility of edge roles for network analysis tasks on a variety of graphs from various problem domains.

Ryan A. Rossi, Rong Zhou

Massively parallel architectures such as the GPU are becoming increasingly important due to the recent proliferation of data. In this paper, we propose a key class of hybrid parallel graphlet algorithms that leverages multiple CPUs and GPUs simultaneously for computing k-vertex induced subgraph statistics (called graphlets). In addition to the hybrid multi-core CPU-GPU framework, we also investigate single GPU methods (using multiple cores) and multi-GPU methods that leverage all available GPUs simultaneously for computing induced subgraph statistics. Both methods leverage GPU devices only, whereas the hybrid multi-core CPU-GPU framework leverages all available multi-core CPUs and multiple GPUs for computing graphlets in large networks. Compared to recent approaches, our methods are orders of magnitude faster, while also more cost effective enjoying superior performance per capita and per watt. In particular, the methods are up to 300 times faster than the recent state-of-the-art method. To the best of our knowledge, this is the first work to leverage multiple CPUs and GPUs simultaneously for computing induced subgraph statistics.

Ryan A. Rossi, Rong Zhou, Nesreen K. Ahmed

This paper proposes Relational Similarity Machines (RSM): a fast, accurate, and flexible relational learning framework for supervised and semi-supervised learning tasks. Despite the importance of relational learning, most existing methods are hard to adapt to different settings, due to issues with efficiency, scalability, accuracy, and flexibility for handling a wide variety of classification problems, data, constraints, and tasks. For instance, many existing methods perform poorly for multi-class classification problems, graphs that are sparsely labeled or network data with low relational autocorrelation. In contrast, the proposed relational learning framework is designed to be (i) fast for learning and inference at real-time interactive rates, and (ii) flexible for a variety of learning settings (multi-class problems), constraints (few labeled instances), and application domains. The experiments demonstrate the effectiveness of RSM for a variety of tasks and data.

Wheeler Ruml, Minh Binh Do, Rong Zhou et al.

We present a case study of artificial intelligence techniques applied to the control of production printing equipment. Like many other real-world applications, this complex domain requires high-speed autonomous decision-making and robust continual operation. To our knowledge, this work represents the first successful industrial application of embedded domain-independent temporal planning. Our system handles execution failures and multi-objective preferences. At its heart is an on-line algorithm that combines techniques from state-space planning and partial-order scheduling. We suggest that this general architecture may prove useful in other applications as more intelligent systems operate in continual, on-line settings. Our system has been used to drive several commercial prototypes and has enabled a new product architecture for our industrial partner. When compared with state-of-the-art off-line planners, our system is hundreds of times faster and often finds better plans. Our experience demonstrates that domain-independent AI planning based on heuristic search can flexibly handle time, resources, replanning, and multiple objectives in a high-speed practical application without requiring hand-coded control knowledge.

Ethan Burns, Sofia Lemons, Wheeler Ruml et al.

To harness modern multicore processors, it is imperative to develop parallel versions of fundamental algorithms. In this paper, we compare different approaches to parallel best-first search in a shared-memory setting. We present a new method, PBNF, that uses abstraction to partition the state space and to detect duplicate states without requiring frequent locking. PBNF allows speculative expansions when necessary to keep threads busy. We identify and fix potential livelock conditions in our approach, proving its correctness using temporal logic. Our approach is general, allowing it to extend easily to suboptimal and anytime heuristic search. In an empirical comparison on STRIPS planning, grid pathfinding, and sliding tile puzzle problems using 8-core machines, we show that A*, weighted A* and Anytime weighted A* implemented using PBNF yield faster search than improved versions of previous parallel search proposals.