Bowen Liu

Youting Wang, Yuan Tang, Bowen Liu et al.

For sparse, structured reinforcement-learning tasks with semantic reward-function interfaces, LLM-generated reward shaping is better framed as debugging than one-shot generation. We study PPO-trained agents using MiniGrid as core evaluation and MuJoCo as boundary stress test. Our audit finds two dominant one-shot failure modes -- reward flooding and semantic/API misunderstanding -- plus a rarer weak-shaping case. We propose diagnostic-driven iterative refinement, where training diagnostics and a failure-mode taxonomy guide targeted reward-function revision. Refinement improves DoorKey-8x8 from 2.3% to 97.6% and KeyCorridor from 31.2% to 86.7% with high seed-to-seed variance. Controls show these gains are not from retrying or extra training: metrics-only re-prompting yields large drops, while a static-vocabulary control recovers much of the gap (87.6%; 70.7%), showing the taxonomy prompt is a major mechanism and dynamic labels provide only partially isolated incremental evidence. Budget-matched and Best-of-3 comparisons separate refinement from selection and training-time effects. Component-removal tests, sensitivity analyses, and an audit against author labels provide converging evidence for the debugging interpretation while revealing calibration limits. Continuous-control results show the boundary: success-based diagnostics can misfire in dense-reward locomotion, and return-trend feedback removes one false-positive mechanism without robust gains. The low-call protocol is a cost contrast with population-based reward search, not a benchmark comparison. In four crossed-variance-design environments, point estimates suggest larger gains when LLM reward-function variance dominates but bootstrap intervals are wide. The method is bounded to sparse structured tasks with reliable interfaces under PPO; fields like event_text may help, hurt, or be neutral.

Ziyu Gao, Xinyuan Wu, Xiaolan Chen et al.

Ophthalmic decision-making depends on subtle lesion-scale cues interpreted across multimodal imaging and over time, yet most medical foundation models remain static and degrade under modality and acquisition shifts. Here we introduce EyeWorld, a generative world model that conceptualizes the eye as a partially observed dynamical system grounded in clinical imaging. EyeWorld learns an observation-stable latent ocular state shared across modalities, unifying fine-grained parsing, structure-preserving cross-modality translation and quality-robust enhancement within a single framework. Longitudinal supervision further enables time-conditioned state transitions, supporting forecasting of clinically meaningful progression while preserving stable anatomy. By moving from static representation learning to explicit dynamical modeling, EyeWorld provides a unified approach to robust multimodal interpretation and prognosis-oriented simulation in medicine.

Peisong Wang, Bowen Liu, Zehua Li et al.

Large language models still struggle with contest-level programming, while many agentic remedies rely on massive inference-time sampling or expensive multi-stage post-training. We study when execution feedback reliably helps an LLM CP solver and which mechanisms govern the gains. We model feedback-driven solving as a calibrated stopped process and identify three quantities: false-admission risk, program-level evidence against bad programs, and the active-state success hazard. Under held-out trace calibration and selection from a pre-declared finite controller manifest, the resulting structural certificate lower-bounds the clean success probability before false admission. We instantiate mechanisms targeting these quantities as Dual-Granularity Verification, Test Augmentation, and Experience-Driven Self-Evolving, yielding CP-Agent. Without updating any parameters, CP-Agent raises Pass@1 from 25.8\% to 48.5\% on LiveCodeBench Pro and improves Refine@5 by 11.0\% on ICPC-Eval. Across three LLM backbones, CP-Agent lies on the cost--accuracy efficiency frontier, and ablations show that each component primarily affects its corresponding certificate quantity.

Bowen Liu, Yu Chen, Rakesh Chowdary Machineni et al.

Learning-based video compression has been extensively studied over the past years, but it still has limitations in adapting to various motion patterns and entropy models. In this paper, we propose multi-mode video compression (MMVC), a block wise mode ensemble deep video compression framework that selects the optimal mode for feature domain prediction adapting to different motion patterns. Proposed multi-modes include ConvLSTM-based feature domain prediction, optical flow conditioned feature domain prediction, and feature propagation to address a wide range of cases from static scenes without apparent motions to dynamic scenes with a moving camera. We partition the feature space into blocks for temporal prediction in spatial block-based representations. For entropy coding, we consider both dense and sparse post-quantization residual blocks, and apply optional run-length coding to sparse residuals to improve the compression rate. In this sense, our method uses a dual-mode entropy coding scheme guided by a binary density map, which offers significant rate reduction surpassing the extra cost of transmitting the binary selection map. We validate our scheme with some of the most popular benchmarking datasets. Compared with state-of-the-art video compression schemes and standard codecs, our method yields better or competitive results measured with PSNR and MS-SSIM.

Ruyi Feng, Zhibin Li, Bowen Liu et al.

Understanding trajectory diversity is a fundamental aspect of addressing practical traffic tasks. However, capturing the diversity of trajectories presents challenges, particularly with traditional machine learning and recurrent neural networks due to the requirement of large-scale parameters. The emerging Transformer technology, renowned for its parallel computation capabilities enabling the utilization of models with hundreds of millions of parameters, offers a promising solution. In this study, we apply the Transformer architecture to traffic tasks, aiming to learn the diversity of trajectories within vehicle populations. We analyze the Transformer's attention mechanism and its adaptability to the goals of traffic tasks, and subsequently, design specific pre-training tasks. To achieve this, we create a data structure tailored to the attention mechanism and introduce a set of noises that correspond to spatio-temporal demands, which are incorporated into the structured data during the pre-training process. The designed pre-training model demonstrates excellent performance in capturing the spatial distribution of the vehicle population, with no instances of vehicle overlap and an RMSE of 0.6059 when compared to the ground truth values. In the context of time series prediction, approximately 95% of the predicted trajectories' speeds closely align with the true speeds, within a deviation of 7.5144m/s. Furthermore, in the stability test, the model exhibits robustness by continuously predicting a time series ten times longer than the input sequence, delivering smooth trajectories and showcasing diverse driving behaviors. The pre-trained model also provides a good basis for downstream fine-tuning tasks. The number of parameters of our model is over 50 million.

Boyang Wang, Bowen Liu, Shiyu Liu et al.

In the blind single image super-resolution (SISR) task, existing works have been successful in restoring image-level unknown degradations. However, when a single video frame becomes the input, these works usually fail to address degradations caused by video compression, such as mosquito noise, ringing, blockiness, and staircase noise. In this work, we for the first time, present a video compression-based degradation model to synthesize low-resolution image data in the blind SISR task. Our proposed image synthesizing method is widely applicable to existing image datasets, so that a single degraded image can contain distortions caused by the lossy video compression algorithms. This overcomes the leak of feature diversity in video data and thus retains the training efficiency. By introducing video coding artifacts to SISR degradation models, neural networks can super-resolve images with the ability to restore video compression degradations, and achieve better results on restoring generic distortions caused by image compression as well. Our proposed approach achieves superior performance in SOTA no-reference Image Quality Assessment, and shows better visual quality on various datasets. In addition, we evaluate the SISR neural network trained with our degradation model on video super-resolution (VSR) datasets. Compared to architectures specifically designed for the VSR purpose, our method exhibits similar or better performance, evidencing that the presented strategy on infusing video-based degradation is generalizable to address more complicated compression artifacts even without temporal cues.

Bowen Liu, Jiankun Li

DNA storage technology offers new possibilities for addressing massive data storage due to its high storage density, long-term preservation, low maintenance cost, and compact size. To improve the reliability of stored information, base errors and missing storage sequences are challenges that must be faced. Currently, clustering and comparison of sequenced sequences are employed to recover the original sequence information as much as possible. Nonetheless, extracting DNA sequences of different lengths as features leads to the curse of dimensionality, which needs to be overcome. To address this, techniques like PCA, UMAP, and t-SNE are commonly employed to project high-dimensional features into low-dimensional space. Considering that these methods exhibit varying effectiveness in dimensionality reduction when dealing with different datasets, this paper proposes training a multilayer perceptron model to classify input DNA sequence features and adaptively select the most suitable dimensionality reduction method to enhance subsequent clustering results. Through testing on open-source datasets and comparing our approach with various baseline methods, experimental results demonstrate that our model exhibits superior classification performance and significantly improves clustering outcomes. This displays that our approach effectively mitigates the impact of the curse of dimensionality on clustering models.

Jiancheng Dong, Pengyue Jia, Derong Xu et al.

LLMs typically linearize 2D tables into 1D sequences to fit their autoregressive architecture, which weakens row-column adjacency and other layout cues. In contrast, purely visual encoders can capture spatial cues, yet often struggle to preserve exact cell text. Our analysis reveals that these two modalities provide highly distinct information to LLMs and exhibit strong complementarity. However, direct concatenation and other fusion methods yield limited gains and frequently introduce cross-modal interference. To address this issue, we propose DiVA-Former, a lightweight architecture designed to effectively integrate vision and text information. DiVA-Former leverages visual tokens as dynamic queries to distill long textual sequences into digest vectors, thereby effectively exploiting complementary vision--text information. Evaluated across 13 table benchmarks, DiVA-Former improves upon the pure-text baseline by 23.9\% and achieves consistent gains over existing baselines using visual inputs, textual inputs, or a combination of both.

Bowen Yu, Maolin Wang, Sheng Zhang et al.

Distilling Chain-of-Thought (CoT) reasoning from large language models into compact student models presents a fundamental challenge: teacher rationales are often too verbose for smaller models to faithfully reproduce. Existing approaches either compress reasoning into single-step, losing the interpretability that makes CoT valuable. We present a three-stage curriculum learning framework that addresses this capacity mismatch through progressive skill acquisition. First, we establish structural understanding via masked shuffled reconstruction. Second, we apply Group Relative Policy Optimization (GRPO) on masked completion tasks, enabling the model to discover its own balance between accuracy and brevity. Third, we identify persistent failure cases and guide the student to internalize teacher knowledge through targeted rewriting, again optimized with GRPO. Experiments on GSM8K demonstrate that our approach enables Qwen2.5-3B-Base to achieve an 11.29 percent accuracy improvement while reducing output length by 27.4 percent, surpassing both instruction-tuned variants and prior distillation methods.

Bowen Liu, Zhi Wu, Runquan Xie et al.

Scaling verifiable training signals remains a key bottleneck for Reinforcement Learning from Verifiable Rewards (RLVR). Logical reasoning is a natural substrate: constraints are formal and answers are programmatically checkable. However, prior synthesis pipelines either depend on expert-written code or operate within fixed templates/skeletons, which limits growth largely to instance-level perturbations. We propose SSLogic, an agentic meta-synthesis framework that scales at the task-family level by iteratively synthesizing and repairing executable Generator--Validator program pairs in a closed Generate--Validate--Repair loop, enabling continuous family evolution with controllable difficulty. To ensure reliability, we introduce a Multi-Gate Validation Protocol that combines multi-strategy consistency checks with Adversarial Blind Review, where independent agents must solve instances by writing and executing code to filter ambiguous or ill-posed tasks. Starting from 400 seed families, two evolution rounds expand to 953 families and 21,389 verifiable instances (from 5,718). Training on SSLogic-evolved data yields consistent gains over the seed baseline at matched training steps, improving SynLogic by +5.2, BBEH by +1.4, AIME25 by +3.0, and Brumo25 by +3.7.

Xiaofeng Deng, Defu Chen, Bowen Liu et al.

Accurate classification of port wine stains (PWS, vascular malformations present at birth), is critical for subsequent treatment planning. However, the current method of classifying PWS based on the external skin appearance rarely reflects the underlying angiopathological heterogeneity of PWS lesions, resulting in inconsistent outcomes with the common vascular-targeted photodynamic therapy (V-PDT) treatments. Conversely, optical coherence tomography angiography (OCTA) is an ideal tool for visualizing the vascular malformations of PWS. Previous studies have shown no significant correlation between OCTA quantitative metrics and the PWS subtypes determined by the current classification approach. This study proposes a new classification approach for PWS using both OCT and OCTA. By examining the hypodermic histopathology and vascular structure of PWS, we have devised a fine-grained classification method that subdivides PWS into five distinct types. To assess the angiopathological differences of various PWS subtypes, we have analyzed six metrics related to vascular morphology and depth information of PWS lesions. The five PWS types present significant differences across all metrics compared to the conventional subtypes. Our findings suggest that an angiopathology-based classification accurately reflects the heterogeneity in PWS lesions. This research marks the first attempt to classify PWS based on angiopathology, potentially guiding more effective subtyping and treatment strategies for PWS.

Hao Wei, Bowen Liu, Minqing Zhang et al.

Generalist foundation model has ushered in newfound capabilities in medical domain. However, the contradiction between the growing demand for high-quality annotated data with patient privacy continues to intensify. The utilization of medical artificial intelligence generated content (Med-AIGC) as an inexhaustible resource repository arises as a potential solution to address the aforementioned challenge. Here we harness 1 million open-source synthetic fundus images paired with natural language descriptions, to curate an ethical language-image foundation model for retina image analysis named VisionCLIP. VisionCLIP achieves competitive performance on three external datasets compared with the existing method pre-trained on real-world data in a zero-shot fashion. The employment of artificially synthetic images alongside corresponding textual data for training enables the medical foundation model to successfully assimilate knowledge of disease symptomatology, thereby circumventing potential breaches of patient confidentiality.

Henan Sun, Kaichi Yu, Yuyao Wang et al.

Reasoning ability has become a central focus in the advancement of Large Reasoning Models (LRMs). Although notable progress has been achieved on several reasoning benchmarks such as MATH500 and LiveCodeBench, existing benchmarks for algorithmic reasoning remain limited, failing to answer a critical question: Do LRMs truly master algorithmic reasoning? To answer this question, we propose AlgBench, an expert-curated benchmark that evaluates LRMs under an algorithm-centric paradigm. AlgBench consists of over 3,000 original problems spanning 27 algorithms, constructed by ACM algorithmic experts and organized under a comprehensive taxonomy, including Euclidean-structured, non-Euclidean-structured, non-optimized, local-optimized, global-optimized, and heuristic-optimized categories. Empirical evaluations on leading LRMs (e.g., Gemini-3-Pro, DeepSeek-v3.2-Speciale and GPT-o3) reveal substantial performance heterogeneity: while models perform well on non-optimized tasks (up to 92%), accuracy drops sharply to around 49% on globally optimized algorithms such as dynamic programming. Further analysis uncovers \textbf{strategic over-shifts}, wherein models prematurely abandon correct algorithmic designs due to necessary low-entropy tokens. These findings expose fundamental limitations of problem-centric reinforcement learning and highlight the necessity of an algorithm-centric training paradigm for robust algorithmic reasoning.

Haijian Lai, Bowen Liu, Man Xu et al.

We introduce an empowered transposed Fully Connected Weighted (t-FCW) graph representation to embed point clouds into a metric space. While original t-FCW has shown promising results for point cloud classification, the reasons behind its effectiveness and its broader applicability remained unclear. In this work, we analyze the properties that make the empowered and original t-FCW effective and design a network that uses the empowered t-FCW exclusively as feature extractors. From an interpretability perspective, we build memory banks for classification, part segmentation, and semantic segmentation using the empowered t-FCW. Our analysis reveals that the empowered t-FCW inherits robustness from surface descriptors, provides interpretability through dimension-wise relations. These properties enable a highly efficient and interpretable network, which processes the ModelNet40 classification problem in approximately 7 seconds on an NVIDIA RTX A5000 GPU. Importantly, empowered t-FCW can function both as a lightweight standalone baseline and as a complementary plug-in to existing deep models.

Ling Li, Bowen Liu, Zinuo Zhan et al.

Traditional Visual Grounding (VG) predominantly relies on textual descriptions to localize objects, a paradigm that inherently struggles with linguistic ambiguity and often ignores non-verbal deictic cues prevalent in real-world interactions. In natural egocentric engagements, hand-pointing combined with speech forms the most intuitive referring mechanism. To bridge this gap, we introduce EgoPoint-Ground, the first large-scale multimodal dataset dedicated to egocentric deictic visual grounding. Comprising over \textbf{15k} interactive samples in complex scenes, the dataset provides rich, multi-grained annotations including hand-target bounding box pairs and dense semantic captions. We establish a comprehensive benchmark for hand-pointing referring expression resolution, evaluating a wide spectrum of mainstream Multimodal Large Language Models (MLLMs) and state-of-the-art VG architectures. Furthermore, we propose SV-CoT, a novel baseline framework that reformulates grounding as a structured inference process, synergizing gestural and linguistic cues through a Visual Chain-of-Thought paradigm. Extensive experiments demonstrate that SV-CoT achieves an $\textbf{11.7\%}$ absolute improvement over existing methods, effectively mitigating semantic ambiguity and advancing the capability of agents to comprehend multimodal physical intents. The dataset and code will be made publicly available.

Yuyao Wang, Bowen Liu, Jianheng Tang et al.

Reasoning Large Language Models (RLLMs) have recently achieved remarkable progress on complex reasoning tasks, largely enabled by their long chain-of-thought (Long CoT) capabilities. However, developing these Long CoT behaviors relies heavily on post-training with high-quality datasets, which are typically costly and human-curated (e.g., mathematics and code), leaving scalable alternatives unexplored. In this work, we introduce NP-hard (NPH) graph problems as a novel synthetic training corpus, as they inherently require deep reasoning, extensive exploration, and reflective strategies, which are core characteristics of Long CoT reasoning. Building on this insight, we develop a two-stage post-training framework: (i) Long CoT Supervised Fine-Tuning (SFT) on rejection-sampled NPH graph instances, which substantially enhances reasoning depth, and (ii) Reinforcement Learning (RL) with a fine-grained reward design, which sharpens reasoning efficiency. Our flagship model, Graph-R1-7B, demonstrates strong generalization across mathematics, coding, STEM, and logic, and surpasses QwQ-32B on NPH graph problems in both accuracy and reasoning efficiency. These results position NPH graph problems as an effective and scalable resource for advancing Long CoT reasoning in LLMs, opening a new frontier for LLM post-training. Our implementation is available at https://github.com/Graph-Reasoner/Graph-R1, with models and datasets hosted in our Hugging Face collection HKUST-DSAIL/Graph-R1.

Bowen Liu, Chunlei Meng, Wei Lin et al.

Accurate vascular segmentation is essential for coronary visualization and the diagnosis of coronary heart disease. This task involves the extraction of sparse tree-like vascular branches from the volumetric space. However, existing methods have faced significant challenges due to discontinuous vascular segmentation and missing endpoints. To address this issue, a 3D vision graph neural network framework, named ViG3D-UNet, was introduced. This method integrates 3D graph representation and aggregation within a U-shaped architecture to facilitate continuous vascular segmentation. The ViG3D module captures volumetric vascular connectivity and topology, while the convolutional module extracts fine vascular details. These two branches are combined through channel attention to form the encoder feature. Subsequently, a paperclip-shaped offset decoder minimizes redundant computations in the sparse feature space and restores the feature map size to match the original input dimensions. To evaluate the effectiveness of the proposed approach for continuous vascular segmentation, evaluations were performed on two public datasets, ASOCA and ImageCAS. The segmentation results show that the ViG3D-UNet surpassed competing methods in maintaining vascular segmentation connectivity while achieving high segmentation accuracy. Our code will be available soon.

Bowen Liu, Dongjie Chen, Xiao Qi

With the rapid growth of the PCB manufacturing industry, there is an increasing demand for computer vision inspection to detect defects during production. Improving the accuracy and generalization of PCB defect detection models remains a significant challenge. This paper proposes a high-precision, robust, and real-time end-to-end method for PCB defect detection based on deep Convolutional Neural Networks (CNN). Traditional methods often suffer from low accuracy and limited applicability. We propose a novel approach combining YOLOv5 and multiscale modules for hierarchical residual-like connections. In PCB defect detection, noise can confuse the background and small targets. The YOLOv5 model provides a strong foundation with its real-time processing and accurate object detection capabilities. The multi-scale module extends traditional approaches by incorporating hierarchical residual-like connections within a single block, enabling multiscale feature extraction. This plug-and-play module significantly enhances performance by extracting features at multiple scales and levels, which are useful for identifying defects of varying sizes and complexities. Our multi-scale architecture integrates feature extraction, defect localization, and classification into a unified network. Experiments on a large-scale PCB dataset demonstrate significant improvements in precision, recall, and F1-score compared to existing methods. This work advances computer vision inspection for PCB defect detection, providing a reliable solution for high-precision, robust, real-time, and domain-adaptive defect detection in the PCB manufacturing industry.

Bowen Liu, Haijian Lai, Chan-Tong Lam et al.

Although many complex models were proposed to analyze time series data, some studies have demonstrated remarkable performance with simpler structures. A recent study proposed a non-parametric framework for 3D point cloud classification, which has the potential to be adapted for time series forecasting and enable interpretability. Inspired by the previous works, we present TSNN, a non-parametric and interpretable framework for traffic time series forecasting. TSNN consists of multiple layers that decouple the time series by matching the entries in a memory bank, where the memory bank is constructed using a similar matching process within the training set. It leverages the periodicity in traffic data to enhance forecasting accuracy while maintaining a simple model architecture. The proposed model operates without trainable parameters, preserving its inherent interpretability. In the experiments, TSNN achieves competitive performance compared to the typical deep learning models in four real-world traffic flow datasets. We also visualize the decoupling process to show the effectiveness of the components. Finally, we demonstrate the interpretability of the model and illustrate the contribution of each time step within the memory bank.

Bowen Liu, Haoyang Li, Shuning Wang et al.

Out-of-distribution (OOD) generalization in Graph Neural Networks (GNNs) has gained significant attention due to its critical importance in graph-based predictions in real-world scenarios. Existing methods primarily focus on extracting a single causal subgraph from the input graph to achieve generalizable predictions. However, relying on a single subgraph can lead to susceptibility to spurious correlations and is insufficient for learning invariant patterns behind graph data. Moreover, in many real-world applications, such as molecular property prediction, multiple critical subgraphs may influence the target label property. To address these challenges, we propose a novel framework, SubGraph Aggregation (SuGAr), designed to learn a diverse set of subgraphs that are crucial for OOD generalization on graphs. Specifically, SuGAr employs a tailored subgraph sampler and diversity regularizer to extract a diverse set of invariant subgraphs. These invariant subgraphs are then aggregated by averaging their representations, which enriches the subgraph signals and enhances coverage of the underlying causal structures, thereby improving OOD generalization. Extensive experiments on both synthetic and real-world datasets demonstrate that \ours outperforms state-of-the-art methods, achieving up to a 24% improvement in OOD generalization on graphs. To the best of our knowledge, this is the first work to study graph OOD generalization by learning multiple invariant subgraphs. code: https://github.com/Nanolbw/SuGAr

Jing Zhang, Xin Yu, Aixuan Li et al.

Compared with laborious pixel-wise dense labeling, it is much easier to label data by scribbles, which only costs 1$\sim$2 seconds to label one image. However, using scribble labels to learn salient object detection has not been explored. In this paper, we propose a weakly-supervised salient object detection model to learn saliency from such annotations. In doing so, we first relabel an existing large-scale salient object detection dataset with scribbles, namely S-DUTS dataset. Since object structure and detail information is not identified by scribbles, directly training with scribble labels will lead to saliency maps of poor boundary localization. To mitigate this problem, we propose an auxiliary edge detection task to localize object edges explicitly, and a gated structure-aware loss to place constraints on the scope of structure to be recovered. Moreover, we design a scribble boosting scheme to iteratively consolidate our scribble annotations, which are then employed as supervision to learn high-quality saliency maps. As existing saliency evaluation metrics neglect to measure structure alignment of the predictions, the saliency map ranking metric may not comply with human perception. We present a new metric, termed saliency structure measure, to measure the structure alignment of the predicted saliency maps, which is more consistent with human perception. Extensive experiments on six benchmark datasets demonstrate that our method not only outperforms existing weakly-supervised/unsupervised methods, but also is on par with several fully-supervised state-of-the-art models. Our code and data is publicly available at https://github.com/JingZhang617/Scribble_Saliency.

Ran Zhang, Yucong Lin, Zhaoli Su et al.

Chest X-ray report generation and automated evaluation are limited by poor recognition of low-prevalence abnormalities and inadequate handling of clinically important language, including negation and ambiguity. We develop a clinician-guided framework combining human expertise and large language models for multi-label finding extraction from free-text chest X-ray reports and use it to define Ran Score, a finding-level metric for report evaluation. Using three non-overlapping MIMIC-CXR-EN cohorts from a public chest X-ray dataset and an independent ChestX-CN validation cohort, we optimize prompts, establish radiologist-derived reference labels and evaluate report generation models. The optimized framework improves the macro-averaged score from 0.753 to 0.956 on the MIMIC-CXR-EN development cohort, exceeds the CheXbert benchmark by 15.7 percentage points on directly comparable labels, and shows robust generalization on the ChestX-CN validation cohort. Here we show that clinician-guided prompt optimization improves agreement with a radiologist-derived reference standard and that Ran Score enables finding-level evaluation of report fidelity, particularly for low-prevalence abnormalities.

Bodong Du, Bowen Liu, Yang Yu et al.

Medical multimodal large language models (MLLMs) have advanced image understanding and short-video analysis, but real clinical review often requires full-procedure video understanding. Unlike general long videos, medical procedures contain highly redundant anatomical views, while decisive evidence is temporally sparse, spatially subtle, and context dependent. Existing benchmarks often assume this evidence has already been localized through images, short clips, or pre-segmented videos, leaving the retrieval-before-reasoning problem under-tested. We introduce MedHorizon, an in-the-wild benchmark for long-context medical video understanding. MedHorizon preserves 759 hours of full-length clinical procedures and provides 1,253 evidence-grounded multiple-choice questionsthat jointly evaluate sparse evidence understanding and multi-hop clinical reasoning. Its evidence is extremely sparse, with only 0.166% evidence frames on average, requiring models to search noisy procedural streams before interpreting and aggregating findings. We evaluate representative general-domain, medical-domain, and long-video MLLMs. The best model reaches only 41.1% accuracy, showing that current systems remain far from robust full-procedure understanding. Further analysis yields four key findings: performance does not scale reliably with more frames, evidence retrieval and clinical interpretation remain primary bottlenecks; these bottlenecks are rooted in weak procedural reasoning and attention drift under redundancy, and generic sampling methods only partially balances local detail with global coverage. MedHorizon provides a rigorous testbed for MLLMs that retrieve sparse evidence and reason over complete clinical workflows.

Rundong Wang, Wei Ba, Ying Zhou et al.

Recent methods for pathology report generation from whole-slide image (WSI) are capable of producing slide-level diagnostic descriptions but fail to ground fine-grained statements in localized visual evidence. Furthermore, they lack control over which diagnostic details to include and how to verify them. Inspired by emerging agentic analysis paradigms and the diagnostic workflow of pathologists,who selectively examine multiple fields of view, we propose QCAgent, an agentic framework for quality-controllable WSI report generation. The core innovations of this framework are as follows: (i) it incorporates a customized critique mechanism guided by a user-defined checklist specifying required diagnostic details and constraints; (ii) it re-identifies informative regions in the WSI based on the critique feedback and text-patch semantic retrieval, a process that iteratively enriches and reconciles the report. Experiments demonstrate that by making report requirements explicitly prompt-defined, constraint-aware, and verifiable through evidence-grounded refinement, QCAgent enables controllable generation of clinically meaningful and high-coverage pathology reports from WSI.

Bowen Liu, Li Yang, Shanshan Song et al.

Capsule endoscopy (CE) enables non-invasive gastrointestinal screening, but current CE research remains largely limited to frame-level classification and detection, leaving video-level analysis underexplored. To bridge this gap, we introduce and formally define a new task, diagnosis-driven CE video summarization, which requires extracting key evidence frames that covers clinically meaningful findings and making accurate diagnoses from those evidence frames. This setting is challenging because diagnostically relevant events are extremely sparse and can be overwhelmed by tens of thousands of redundant normal frames, while individual observations are often ambiguous due to motion blur, debris, specular highlights, and rapid viewpoint changes. To facilitate research in this direction, we introduce VideoCAP, the first CE dataset with diagnosis-driven annotations derived from real clinical reports. VideoCAP comprises 240 full-length videos and provides realistic supervision for both key evidence frame extraction and diagnosis. To address this task, we further propose DiCE, a clinician-inspired framework that mirrors the standard CE reading workflow. DiCE first performs efficient candidate screening over the raw video, then uses a Context Weaver to organize candidates into coherent diagnostic contexts that preserve distinct lesion events, and an Evidence Converger to aggregate multi-frame evidence within each context into robust clip-level judgments. Experiments show that DiCE consistently outperforms state-of-the-art methods, producing concise and clinically reliable diagnostic summaries. These results highlight diagnosis-driven contextual reasoning as a promising paradigm for ultra-long CE video summarization.

Mingyu Yang, Bowen Liu, Boyang Wang et al.

Deep learning-based joint source-channel coding (deep JSCC) has been demonstrated to be an effective approach for wireless image transmission. Nevertheless, most existing work adopts an autoencoder framework to optimize conventional criteria such as Mean Squared Error (MSE) and Structural Similarity Index (SSIM) which do not suffice to maintain the perceptual quality of reconstructed images. Such an issue is more prominent under stringent bandwidth constraints or low signal-to-noise ratio (SNR) conditions. To tackle this challenge, we propose DiffJSCC, a novel framework that leverages the prior knowledge of the pre-trained Statble Diffusion model to produce high-realism images via the conditional diffusion denoising process. Our DiffJSCC first extracts multimodal spatial and textual features from the noisy channel symbols in the generation phase. Then, it produces an initial reconstructed image as an intermediate representation to aid robust feature extraction and a stable training process. In the following diffusion step, DiffJSCC uses the derived multimodal features, together with channel state information such as the signal-to-noise ratio (SNR), as conditions to guide the denoising diffusion process, which converts the initial random noise to the final reconstruction. DiffJSCC employs a novel control module to fine-tune the Stable Diffusion model and adjust it to the multimodal conditions. Extensive experiments on diverse datasets reveal that our method significantly surpasses prior deep JSCC approaches on both perceptual metrics and downstream task performance, showcasing its ability to preserve the semantics of the original transmitted images. Notably, DiffJSCC can achieve highly realistic reconstructions for 768x512 pixel Kodak images with only 3072 symbols (<0.008 symbols per pixel) under 1dB SNR channels.

Ruoyu Chen, Weiyi Zhang, Bowen Liu et al.

The rising prevalence of vision-threatening retinal diseases poses a significant burden on the global healthcare systems. Deep learning (DL) offers a promising solution for automatic disease screening but demands substantial data. Collecting and labeling large volumes of ophthalmic images across various modalities encounters several real-world challenges, especially for rare diseases. Here, we introduce EyeDiff, a text-to-image model designed to generate multimodal ophthalmic images from natural language prompts and evaluate its applicability in diagnosing common and rare diseases. EyeDiff is trained on eight large-scale datasets using the advanced latent diffusion model, covering 14 ophthalmic image modalities and over 80 ocular diseases, and is adapted to ten multi-country external datasets. The generated images accurately capture essential lesional characteristics, achieving high alignment with text prompts as evaluated by objective metrics and human experts. Furthermore, integrating generated images significantly enhances the accuracy of detecting minority classes and rare eye diseases, surpassing traditional oversampling methods in addressing data imbalance. EyeDiff effectively tackles the issue of data imbalance and insufficiency typically encountered in rare diseases and addresses the challenges of collecting large-scale annotated images, offering a transformative solution to enhance the development of expert-level diseases diagnosis models in ophthalmic field.

Xiaoyu Xia, Ziqi Wang, Ruoxi Sun et al.

The right to be forgotten mandates that machine learning models enable the erasure of a data owner's data and information from a trained model. Removing data from the dataset alone is inadequate, as machine learning models can memorize information from the training data, increasing the potential privacy risk to users. To address this, multiple machine unlearning techniques have been developed and deployed. Among them, approximate unlearning is a popular solution, but recent studies report that its unlearning effectiveness is not fully guaranteed. Another approach, exact unlearning, tackles this issue by discarding the data and retraining the model from scratch, but at the cost of considerable computational and memory resources. However, not all devices have the capability to perform such retraining. In numerous machine learning applications, such as edge devices, Internet-of-Things (IoT), mobile devices, and satellites, resources are constrained, posing challenges for deploying existing exact unlearning methods. In this study, we propose a Constraint-aware Adaptive Exact Unlearning System at the network Edge (CAUSE), an approach to enabling exact unlearning on resource-constrained devices. Aiming to minimize the retrain overhead by storing sub-models on the resource-constrained device, CAUSE innovatively applies a Fibonacci-based replacement strategy and updates the number of shards adaptively in the user-based data partition process. To further improve the effectiveness of memory usage, CAUSE leverages the advantage of model pruning to save memory via compression with minimal accuracy sacrifice. The experimental results demonstrate that CAUSE significantly outperforms other representative systems in realizing exact unlearning on the resource-constrained device by 9.23%-80.86%, 66.21%-83.46%, and 5.26%-194.13% in terms of unlearning speed, energy consumption, and accuracy.

Kai Ye, Haidi Tang, Bowen Liu et al.

Applications of unmanned aerial vehicle (UAV) in logistics, agricultural automation, urban management, and emergency response are highly dependent on oriented object detection (OOD) to enhance visual perception. Although existing datasets for OOD in UAV provide valuable resources, they are often designed for specific downstream tasks.Consequently, they exhibit limited generalization performance in real flight scenarios and fail to thoroughly demonstrate algorithm effectiveness in practical environments. To bridge this critical gap, we introduce CODrone, a comprehensive oriented object detection dataset for UAVs that accurately reflects real-world conditions. It also serves as a new benchmark designed to align with downstream task requirements, ensuring greater applicability and robustness in UAV-based OOD.Based on application requirements, we identify four key limitations in current UAV OOD datasets-low image resolution, limited object categories, single-view imaging, and restricted flight altitudes-and propose corresponding improvements to enhance their applicability and robustness.Furthermore, CODrone contains a broad spectrum of annotated images collected from multiple cities under various lighting conditions, enhancing the realism of the benchmark. To rigorously evaluate CODrone as a new benchmark and gain deeper insights into the novel challenges it presents, we conduct a series of experiments based on 22 classical or SOTA methods.Our evaluation not only assesses the effectiveness of CODrone in real-world scenarios but also highlights key bottlenecks and opportunities to advance OOD in UAV applications.Overall, CODrone fills the data gap in OOD from UAV perspective and provides a benchmark with enhanced generalization capability, better aligning with practical applications and future algorithm development.

Runqiu Shu, Bowen Liu, Zhaoping Xiong et al.

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide spatial range. Traditional docking by searching for possible binding sites and conformations is computationally complex and results poorly under blind docking. Quantum-inspired algorithms combining quantum properties and annealing show great advantages in solving combinatorial optimization problems. Inspired by this, we achieve an improved in blind docking by using quantum-inspired combined with gradients learned by deep learning in the encoded molecular space. Numerical simulation shows that our method outperforms traditional docking algorithms and deep learning-based algorithms over 10\%. Compared to the current state-of-the-art deep learning-based docking algorithm DiffDock, the success rate of Top-1 (RMSD<2) achieves an improvement from 33\% to 35\% in our same setup. In particular, a 6\% improvement is realized in the high-precision region(RMSD<1) on molecules data unseen in DiffDock, which demonstrates the well-generalized of our method.

Chunlei Meng, Jiacheng Yang, Wei Lin et al.

Convolutional neural networks (CNNs) and vision transformers (ViTs) have become essential in computer vision for local and global feature extraction. However, aggregating these architectures in existing methods often results in inefficiencies. To address this, the CNN-Transformer Aggregation Network (CTA-Net) was developed. CTA-Net combines CNNs and ViTs, with transformers capturing long-range dependencies and CNNs extracting localized features. This integration enables efficient processing of detailed local and broader contextual information. CTA-Net introduces the Light Weight Multi-Scale Feature Fusion Multi-Head Self-Attention (LMF-MHSA) module for effective multi-scale feature integration with reduced parameters. Additionally, the Reverse Reconstruction CNN-Variants (RRCV) module enhances the embedding of CNNs within the transformer architecture. Extensive experiments on small-scale datasets with fewer than 100,000 samples show that CTA-Net achieves superior performance (TOP-1 Acc 86.76\%), fewer parameters (20.32M), and greater efficiency (FLOPs 2.83B), making it a highly efficient and lightweight solution for visual tasks on small-scale datasets (fewer than 100,000).

Xinyuan Wu, Lili Wang, Ruoyu Chen et al.

Fundus fluorescein angiography (FFA) is critical for diagnosing retinal vascular diseases, but beginners often struggle with image interpretation. This study develops FFA Sora, a text-to-video model that converts FFA reports into dynamic videos via a Wavelet-Flow Variational Autoencoder (WF-VAE) and a diffusion transformer (DiT). Trained on an anonymized dataset, FFA Sora accurately simulates disease features from the input text, as confirmed by objective metrics: Frechet Video Distance (FVD) = 329.78, Learned Perceptual Image Patch Similarity (LPIPS) = 0.48, and Visual-question-answering Score (VQAScore) = 0.61. Specific evaluations showed acceptable alignment between the generated videos and textual prompts, with BERTScore of 0.35. Additionally, the model demonstrated strong privacy-preserving performance in retrieval evaluations, achieving an average Recall@K of 0.073. Human assessments indicated satisfactory visual quality, with an average score of 1.570(scale: 1 = best, 5 = worst). This model addresses privacy concerns associated with sharing large-scale FFA data and enhances medical education.

Bowen Liu, Wei Liu, Siang Chen et al.

The goal of object pose estimation is to visually determine the pose of a specific object in the RGB-D input. Unfortunately, when faced with new categories, both instance-based and category-based methods are unable to deal with unseen objects of unseen categories, which is a challenge for pose estimation. To address this issue, this paper proposes a method to introduce geometric features for pose estimation of point clouds without requiring category information. The method is based only on the patch feature of the point cloud, a geometric feature with rotation invariance. After training without category information, our method achieves as good results as other category-based methods. Our method successfully achieved pose annotation of no category information instances on the CAMERA25 dataset and ModelNet40 dataset.

Bowen Liu, Weiyi Zhang, Peranut Chotcomwongse et al.

Optical Coherence Tomography (OCT) provides high-resolution, 3D, and non-invasive visualization of retinal layers in vivo, serving as a critical tool for lesion localization and disease diagnosis. However, its widespread adoption is limited by equipment costs and the need for specialized operators. In comparison, 2D color fundus photography offers faster acquisition and greater accessibility with less dependence on expensive devices. Although generative artificial intelligence has demonstrated promising results in medical image synthesis, translating 2D fundus images into 3D OCT images presents unique challenges due to inherent differences in data dimensionality and biological information between modalities. To advance generative models in the fundus-to-3D-OCT setting, the Asia Pacific Tele-Ophthalmology Society (APTOS-2024) organized a challenge titled Artificial Intelligence-based OCT Generation from Fundus Images. This paper details the challenge framework (referred to as APTOS-2024 Challenge), including: the benchmark dataset, evaluation methodology featuring two fidelity metrics-image-based distance (pixel-level OCT B-scan similarity) and video-based distance (semantic-level volumetric consistency), and analysis of top-performing solutions. The challenge attracted 342 participating teams, with 42 preliminary submissions and 9 finalists. Leading methodologies incorporated innovations in hybrid data preprocessing or augmentation (cross-modality collaborative paradigms), pre-training on external ophthalmic imaging datasets, integration of vision foundation models, and model architecture improvement. The APTOS-2024 Challenge is the first benchmark demonstrating the feasibility of fundus-to-3D-OCT synthesis as a potential solution for improving ophthalmic care accessibility in under-resourced healthcare settings, while helping to expedite medical research and clinical applications.

Danli Shi, Bowen Liu, Zhen Tian et al.

Myopia, projected to affect 50% population globally by 2050, is a leading cause of vision loss. Eyes with pathological myopia exhibit distinctive shape distributions, which are closely linked to the progression of vision-threatening complications. Recent understanding of eye-shape-based biomarkers requires magnetic resonance imaging (MRI), however, it is costly and unrealistic in routine ophthalmology clinics. We present Fundus2Globe, the first AI framework that synthesizes patient-specific 3D eye globes from ubiquitous 2D color fundus photographs (CFPs) and routine metadata (axial length, spherical equivalent), bypassing MRI dependency. By integrating a 3D morphable eye model (encoding biomechanical shape priors) with a latent diffusion model, our approach achieves submillimeter accuracy in reconstructing posterior ocular anatomy efficiently. Fundus2Globe uniquely quantifies how vision-threatening lesions (e.g., staphylomas) in CFPs correlate with MRI-validated 3D shape abnormalities, enabling clinicians to simulate posterior segment changes in response to refractive shifts. External validation demonstrates its robust generation performance, ensuring fairness across underrepresented groups. By transforming 2D fundus imaging into 3D digital replicas of ocular structures, Fundus2Globe is a gateway for precision ophthalmology, laying the foundation for AI-driven, personalized myopia management.

Bowen Liu, Pengyue Jia, Wanyu Wang et al.

The primary objective of cross-view UAV geolocalization is to identify the exact spatial coordinates of drone-captured imagery by aligning it with extensive, geo-referenced satellite databases. Current approaches typically extract features independently from each perspective and rely on basic heuristics to compute similarity, thereby failing to explicitly capture the essential interactions between different views. To address this limitation, we introduce a novel, plug-and-play ranking architecture designed to explicitly perform joint relational modeling for improved UAV-to-satellite image matching. By harnessing the capabilities of a Large Vision-Language Model (LVLM), our framework effectively learns the deep visual-semantic correlations linking UAV and satellite imagery. Furthermore, we present a novel relational-aware loss function to optimize the training phase. By employing soft labels, this loss provides fine-grained supervision that avoids overly penalizing near-positive matches, ultimately boosting both the model's discriminative power and training stability. Comprehensive evaluations across various baseline architectures and standard benchmarks reveal that the proposed method substantially boosts the retrieval accuracy of existing models, yielding superior performance even under highly demanding conditions.

Kai Ye, Bowen Liu, Jianghang Lin et al.

Referring Remote Sensing Image Segmentation (RRSIS) aims to segment instances in remote sensing images according to referring expressions. Unlike Referring Image Segmentation on general images, acquiring high-quality referring expressions in the remote sensing domain is particularly challenging due to the prevalence of small, densely distributed objects and complex backgrounds. This paper introduces a new learning paradigm, Weakly Referring Expression Learning (WREL) for RRSIS, which leverages abundant class names as weakly referring expressions together with a small set of accurate ones to enable efficient training under limited annotation conditions. Furthermore, we provide a theoretical analysis showing that mixed-referring training yields a provable upper bound on the performance gap relative to training with fully annotated referring expressions, thereby establishing the validity of this new setting. We also propose LRB-WREL, which integrates a Learnable Reference Bank (LRB) to refine weakly referring expressions through sample-specific prompt embeddings that enrich coarse class-name inputs. Combined with a teacher-student optimization framework using dynamically scheduled EMA updates, LRB-WREL stabilizes training and enhances cross-modal generalization under noisy weakly referring supervision. Extensive experiments on our newly constructed benchmark with varying weakly referring data ratios validate both the theoretical insights and the practical effectiveness of WREL and LRB-WREL, demonstrating that they can approach or even surpass models trained with fully annotated referring expressions.

Ruilang Wang, Shuotong Xu, Bowen Liu et al.

The scarcity of annotated data in specialized domains such as medical imaging presents significant challenges to training robust vision models. While self-supervised masked image modeling (MIM) offers a promising solution, existing approaches largely rely on random high-ratio masking, leading to inefficiency and poor semantic alignment. Moreover, region-aware variants typically depend on reconstruction heuristics or supervised signals, limiting their adaptability across tasks and modalities. We propose Mask What Matters, a controllable text-guided masking framework for self-supervised medical image analysis. By leveraging vision-language models for prompt-based region localization, our method flexibly applies differentiated masking to emphasize diagnostically relevant regions while reducing redundancy in background areas. This controllable design enables better semantic alignment, improved representation learning, and stronger cross-task generalizability. Comprehensive evaluation across multiple medical imaging modalities, including brain MRI, chest CT, and lung X-ray, shows that Mask What Matters consistently outperforms existing MIM methods (e.g., SparK), achieving gains of up to +3.1 percentage points in classification accuracy, +1.3 in box average precision (BoxAP), and +1.1 in mask average precision (MaskAP) for detection. Notably, it achieves these improvements with substantially lower overall masking ratios (e.g., 40\% vs. 70\%). This work demonstrates that controllable, text-driven masking can enable semantically aligned self-supervised learning, advancing the development of robust vision models for medical image analysis.

Liuhui Ding, Dachuan Li, Bowen Liu et al.

Uncertainties in Deep Neural Network (DNN)-based perception and vehicle's motion pose challenges to the development of safe autonomous driving vehicles. In this paper, we propose a safe motion planning framework featuring the quantification and propagation of DNN-based perception uncertainties and motion uncertainties. Contributions of this work are twofold: (1) A Bayesian Deep Neural network model which detects 3D objects and quantitatively captures the associated aleatoric and epistemic uncertainties of DNNs; (2) An uncertainty-aware motion planning algorithm (PU-RRT) that accounts for uncertainties in object detection and ego-vehicle's motion. The proposed approaches are validated via simulated complex scenarios built in CARLA. Experimental results show that the proposed motion planning scheme can cope with uncertainties of DNN-based perception and vehicle motion, and improve the operational safety of autonomous vehicles while still achieving desirable efficiency.

Yangguang Tian, Bowen Liu, Yingjiu Li et al.

Blockchain rewriting with fine-grained access control allows a user to create a transaction associated with a set of attributes, while another user (or modifier) who possesses enough rewriting privileges from a trusted authority satisfying the attribute set can rewrite the transaction. However, it lacks accountability and is not designed for open blockchains that require no trust assumptions. In this work, we introduce accountable fine-grained blockchain rewriting in a permissionless setting. The property of accountability allows the modifier's identity and her rewriting privileges to be held accountable for the modified transactions in case of malicious rewriting (e.g., modify the registered content from good to bad). We first present a generic framework to secure blockchain rewriting in the permissionless setting. Second, we present an instantiation of our approach and show its practicality through evaluation analysis. Last, we demonstrate that our proof-of-concept implementation can be effectively integrated into open blockchains.

Aixuan Li, Jing Zhang, Yunqiu Lv et al.

Visual salient object detection (SOD) aims at finding the salient object(s) that attract human attention, while camouflaged object detection (COD) on the contrary intends to discover the camouflaged object(s) that hidden in the surrounding. In this paper, we propose a paradigm of leveraging the contradictory information to enhance the detection ability of both salient object detection and camouflaged object detection. We start by exploiting the easy positive samples in the COD dataset to serve as hard positive samples in the SOD task to improve the robustness of the SOD model. Then, we introduce a similarity measure module to explicitly model the contradicting attributes of these two tasks. Furthermore, considering the uncertainty of labeling in both tasks' datasets, we propose an adversarial learning network to achieve both higher order similarity measure and network confidence estimation. Experimental results on benchmark datasets demonstrate that our solution leads to state-of-the-art (SOTA) performance for both tasks.

Yunqiu Lv, Jing Zhang, Yuchao Dai et al.

Camouflage is a key defence mechanism across species that is critical to survival. Common strategies for camouflage include background matching, imitating the color and pattern of the environment, and disruptive coloration, disguising body outlines [35]. Camouflaged object detection (COD) aims to segment camouflaged objects hiding in their surroundings. Existing COD models are built upon binary ground truth to segment the camouflaged objects without illustrating the level of camouflage. In this paper, we revisit this task and argue that explicitly modeling the conspicuousness of camouflaged objects against their particular backgrounds can not only lead to a better understanding about camouflage and evolution of animals, but also provide guidance to design more sophisticated camouflage techniques. Furthermore, we observe that it is some specific parts of the camouflaged objects that make them detectable by predators. With the above understanding about camouflaged objects, we present the first ranking based COD network (Rank-Net) to simultaneously localize, segment and rank camouflaged objects. The localization model is proposed to find the discriminative regions that make the camouflaged object obvious. The segmentation model segments the full scope of the camouflaged objects. And, the ranking model infers the detectability of different camouflaged objects. Moreover, we contribute a large COD testing set to evaluate the generalization ability of COD models. Experimental results show that our model achieves new state-of-the-art, leading to a more interpretable COD network.

Bowen Liu, Pawel Szalachowski, Jianying Zhou

Recently emerging Decentralized Finance (DeFi) takes the promise of cryptocurrencies a step further, leveraging their decentralized networks to transform traditional financial products into trustless and transparent protocols that run without intermediaries. However, these protocols often require critical external information, like currency or commodity exchange rates, and in this respect they rely on special oracle nodes. In this paper, we present the first study of DeFi oracles deployed in practice. First, we investigate designs of mainstream DeFi platforms that rely on data from oracles. We find that these designs, surprisingly, position oracles as trusted parties with no or low accountability. Then, we present results of large-scale measurements of deployed oracles. We find and report that prices reported by oracles regularly deviate from current exchange rates, oracles are not free from operational issues, and their reports include anomalies. Finally, we compare the oracle designs and propose potential improvements.

Weihua Hu, Matthias Fey, Marinka Zitnik et al.

We present the Open Graph Benchmark (OGB), a diverse set of challenging and realistic benchmark datasets to facilitate scalable, robust, and reproducible graph machine learning (ML) research. OGB datasets are large-scale, encompass multiple important graph ML tasks, and cover a diverse range of domains, ranging from social and information networks to biological networks, molecular graphs, source code ASTs, and knowledge graphs. For each dataset, we provide a unified evaluation protocol using meaningful application-specific data splits and evaluation metrics. In addition to building the datasets, we also perform extensive benchmark experiments for each dataset. Our experiments suggest that OGB datasets present significant challenges of scalability to large-scale graphs and out-of-distribution generalization under realistic data splits, indicating fruitful opportunities for future research. Finally, OGB provides an automated end-to-end graph ML pipeline that simplifies and standardizes the process of graph data loading, experimental setup, and model evaluation. OGB will be regularly updated and welcomes inputs from the community. OGB datasets as well as data loaders, evaluation scripts, baseline code, and leaderboards are publicly available at https://ogb.stanford.edu .

Bowen Liu, Siwei Sun, Pawel Szalachowski

Although blockchain-based smart contracts promise a ``trustless'' way of enforcing agreements even with monetary consequences, they suffer from multiple security issues. Many of these issues could be mitigated via an effective access control system, however, its realization is challenging due to the properties of current blockchain platforms (like lack of privacy, costly on-chain resources, or latency). To address this problem, we propose the SMACS framework, where updatable and sophisticated Access Control Rules (ACRs)} for smart contracts can be realized with low cost. SMACS shifts the burden of expensive ACRs validation and management operations to an off-chain infrastructure, while implementing on-chain only lightweight token-based access control. SMACS is flexible and in addition to simple access control lists can easily implement rules enhancing the runtime security of smart contracts. With dedicated ACRs backed by vulnerability-detection tools, SMACS can protect vulnerable contracts after deployment. We fully implement SMACS and evaluate it.

Bowen Liu, Pawel Szalachowski, Siwei Sun

The recent development of payment channels and their extensions (e.g., state channels) provides a promising scalability solution for blockchains which allows untrusting parties to transact off-chain and resolve potential disputes via on-chain smart contracts. To protect participants who have no constant access to the blockchain, a watching service named as watchtower is proposed -- a third-party entity obligated to monitor channel states (on behalf of the participants) and correct them on-chain if necessary. Unfortunately, currently proposed watchtower schemes suffer from multiple security and efficiency drawbacks. In this paper, we explore the design space behind watchtowers. We propose a novel watching service named as fail-safe watchtowers. In contrast to prior proposed watching services, our fail-safe watchtower does not watch on-chain smart contracts constantly. Instead, it only sends a single on-chain message periodically confirming or denying the final states of channels being closed. Our watchtowers can easily handle a large number of channels, are privacy-preserving, and fail-safe tolerating multiple attack vectors. Furthermore, we show that watchtowers (in general) may be an option economically unjustified for multiple payment scenarios and we introduce a simple, yet powerful concept of short-lived assertions which can mitigate misbehaving parties in these scenarios.

Yujian Li, Bowen Liu, Zhaoying Liu et al.

K-means is a classical clustering algorithm with wide applications. However, soft K-means, or fuzzy c-means at m=1, remains unsolved since 1981. To address this challenging open problem, we propose a novel clustering model, i.e. Probabilistic K-Means (PKM), which is also a nonlinear programming model constrained on linear equalities and linear inequalities. In theory, we can solve the model by active gradient projection, while inefficiently. Thus, we further propose maximum-step active gradient projection and fast maximum-step active gradient projection to solve it more efficiently. By experiments, we evaluate the performance of PKM and how well the proposed methods solve it in five aspects: initialization robustness, clustering performance, descending stability, iteration number, and convergence speed.

Weihua Hu, Bowen Liu, Joseph Gomes et al.

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.

Jiaxuan You, Bowen Liu, Rex Ying et al.

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph generation, whose goal is to discover novel molecules with desired properties such as drug-likeness and synthetic accessibility, while obeying physical laws such as chemical valency. However, designing models to find molecules that optimize desired properties while incorporating highly complex and non-differentiable rules remains to be a challenging task. Here we propose Graph Convolutional Policy Network (GCPN), a general graph convolutional network based model for goal-directed graph generation through reinforcement learning. The model is trained to optimize domain-specific rewards and adversarial loss through policy gradient, and acts in an environment that incorporates domain-specific rules. Experimental results show that GCPN can achieve 61% improvement on chemical property optimization over state-of-the-art baselines while resembling known molecules, and achieve 184% improvement on the constrained property optimization task.

Bowen Liu, Bharath Ramsundar, Prasad Kawthekar et al.

We describe a fully data driven model that learns to perform a retrosynthetic reaction prediction task, which is treated as a sequence-to-sequence mapping problem. The end-to-end trained model has an encoder-decoder architecture that consists of two recurrent neural networks, which has previously shown great success in solving other sequence-to-sequence prediction tasks such as machine translation. The model is trained on 50,000 experimental reaction examples from the United States patent literature, which span 10 broad reaction types that are commonly used by medicinal chemists. We find that our model performs comparably with a rule-based expert system baseline model, and also overcomes certain limitations associated with rule-based expert systems and with any machine learning approach that contains a rule-based expert system component. Our model provides an important first step towards solving the challenging problem of computational retrosynthetic analysis.