31.7LGApr 20Code
Fisher Decorator: Refining Flow Policy via A Local Transport MapXiaoyuan Cheng, Haoyu Wang, Wenxuan Yuan et al. · cmu
Recent advances in flow-based offline reinforcement learning (RL) have achieved strong performance by parameterizing policies via flow matching. However, they still face critical trade-offs among expressiveness, optimality, and efficiency. In particular, existing flow policies interpret the $L_2$ regularization as an upper bound of the 2-Wasserstein distance ($W_2$), which can be problematic in offline settings. This issue stems from a fundamental geometric mismatch: the behavioral policy manifold is inherently anisotropic, whereas the $L_2$ (or upper bound of $W_2$) regularization is isotropic and density-insensitive, leading to systematically misaligned optimization directions. To address this, we revisit offline RL from a geometric perspective and show that policy refinement can be formulated as a local transport map: an initial flow policy augmented by a residual displacement. By analyzing the induced density transformation, we derive a local quadratic approximation of the KL-constrained objective governed by the Fisher information matrix, enabling a tractable anisotropic optimization formulation. By leveraging the score function embedded in the flow velocity, we obtain a corresponding quadratic constraint for efficient optimization. Our results reveal that the optimality gap in prior methods arises from their isotropic approximation. In contrast, our framework achieves a controllable approximation error within a provable neighborhood of the optimal solution. Extensive experiments demonstrate state-of-the-art performance across diverse offline RL benchmarks. See project page: https://github.com/ARC0127/Fisher-Decorator.
LGJun 8, 2023
Comprehensive evaluation of deep and graph learning on drug-drug interactions predictionXuan Lin, Lichang Dai, Yafang Zhou et al.
Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in the effect of one drug to the presence of another drug in the human body, which plays an essential role in drug discovery and clinical research. DDIs prediction through traditional clinical trials and experiments is an expensive and time-consuming process. To correctly apply the advanced AI and deep learning, the developer and user meet various challenges such as the availability and encoding of data resources, and the design of computational methods. This review summarizes chemical structure based, network based, NLP based and hybrid methods, providing an updated and accessible guide to the broad researchers and development community with different domain knowledge. We introduce widely-used molecular representation and describe the theoretical frameworks of graph neural network models for representing molecular structures. We present the advantages and disadvantages of deep and graph learning methods by performing comparative experiments. We discuss the potential technical challenges and highlight future directions of deep and graph learning models for accelerating DDIs prediction.
LGOct 26, 2022
Adaptive deep density approximation for fractional Fokker-Planck equationsLi Zeng, Xiaoliang Wan, Tao Zhou
In this work, we propose adaptive deep learning approaches based on normalizing flows for solving fractional Fokker-Planck equations (FPEs). The solution of a FPE is a probability density function (PDF). Traditional mesh-based methods are ineffective because of the unbounded computation domain, a large number of dimensions and the nonlocal fractional operator. To this end, we represent the solution with an explicit PDF model induced by a flow-based deep generative model, simplified KRnet, which constructs a transport map from a simple distribution to the target distribution. We consider two methods to approximate the fractional Laplacian. One method is the Monte Carlo approximation. The other method is to construct an auxiliary model with Gaussian radial basis functions (GRBFs) to approximate the solution such that we may take advantage of the fact that the fractional Laplacian of a Gaussian is known analytically. Based on these two different ways for the approximation of the fractional Laplacian, we propose two models, MCNF and GRBFNF, to approximate stationary FPEs and MCTNF to approximate time-dependent FPEs. To further improve the accuracy, we refine the training set and the approximate solution alternately. A variety of numerical examples is presented to demonstrate the effectiveness of our adaptive deep density approaches.
CVSep 2, 2024
MaskMol: Knowledge-guided Molecular Image Pre-Training Framework for Activity CliffsZhixiang Cheng, Hongxin Xiang, Pengsen Ma et al.
Activity cliffs, which refer to pairs of molecules that are structurally similar but show significant differences in their potency, can lead to model representation collapse and make the model challenging to distinguish them. Our research indicates that as molecular similarity increases, graph-based methods struggle to capture these nuances, whereas image-based approaches effectively retain the distinctions. Thus, we developed MaskMol, a knowledge-guided molecular image self-supervised learning framework. MaskMol accurately learns the representation of molecular images by considering multiple levels of molecular knowledge, such as atoms, bonds, and substructures. By utilizing pixel masking tasks, MaskMol extracts fine-grained information from molecular images, overcoming the limitations of existing deep learning models in identifying subtle structural changes. Experimental results demonstrate MaskMol's high accuracy and transferability in activity cliff estimation and compound potency prediction across 20 different macromolecular targets, outperforming 25 state-of-the-art deep learning and machine learning approaches. Visualization analyses reveal MaskMol's high biological interpretability in identifying activity cliff-relevant molecular substructures. Notably, through MaskMol, we identified candidate EP4 inhibitors that could be used to treat tumors. This study not only raises awareness about activity cliffs but also introduces a novel method for molecular image representation learning and virtual screening, advancing drug discovery and providing new insights into structure-activity relationships (SAR).
LGNov 4, 2025
RoME: Domain-Robust Mixture-of-Experts for MILP Solution Prediction across DomainsTianle Pu, Zijie Geng, Haoyang Liu et al.
Mixed-Integer Linear Programming (MILP) is a fundamental and powerful framework for modeling complex optimization problems across diverse domains. Recently, learning-based methods have shown great promise in accelerating MILP solvers by predicting high-quality solutions. However, most existing approaches are developed and evaluated in single-domain settings, limiting their ability to generalize to unseen problem distributions. This limitation poses a major obstacle to building scalable and general-purpose learning-based solvers. To address this challenge, we introduce RoME, a domain-Robust Mixture-of-Experts framework for predicting MILP solutions across domains. RoME dynamically routes problem instances to specialized experts based on learned task embeddings. The model is trained using a two-level distributionally robust optimization strategy: inter-domain to mitigate global shifts across domains, and intra-domain to enhance local robustness by introducing perturbations on task embeddings. We reveal that cross-domain training not only enhances the model's generalization capability to unseen domains but also improves performance within each individual domain by encouraging the model to capture more general intrinsic combinatorial patterns. Specifically, a single RoME model trained on three domains achieves an average improvement of 67.7% then evaluated on five diverse domains. We further test the pretrained model on MIPLIB in a zero-shot setting, demonstrating its ability to deliver measurable performance gains on challenging real-world instances where existing learning-based approaches often struggle to generalize.
18.0AIMay 7
Saliency-Aware Regularized Quantization Calibration for Large Language ModelsYanlong Zhao, Xiaoyuan Cheng, Huihang Liu et al.
Post-training quantization (PTQ) is an effective approach for deploying large language models (LLMs) under memory and latency constraints. Most existing PTQ methods determine quantization parameters by minimizing a layer-wise reconstruction error on a predetermined calibration dataset, usually optimized via either scale search or Gram-based methods. However, from the perspective of generalization risk, existing calibration objectives of PTQ based only on empirical reconstruction error on limited or unrepresentative calibration data could move the quantized weights away from the original weights. This may cause the generalization risk to diverge, potentially degrading downstream performance. To address this issue, we propose \emph{Saliency-Aware Regularized Quantization Calibration} (SARQC) a unified framework that augments the standard PTQ objective with a saliency-aware regularization term. This term encourages quantized weights to stay close to the original weights during calibration, leading to improved generalization during inference. SARQC integrates seamlessly into existing PTQ pipelines, enhancing both scale search and Gram-based methods under a unified formulation. Extensive experiments on dense and Mixture-of-Experts LLMs demonstrate consistent improvements in perplexity and zero-shot accuracy, without additional computational overhead during inference.
LGNov 8, 2022
Gradient-enhanced deep neural network approximationsXiaodong Feng, Li Zeng
We propose in this work the gradient-enhanced deep neural networks (DNNs) approach for function approximations and uncertainty quantification. More precisely, the proposed approach adopts both the function evaluations and the associated gradient information to yield enhanced approximation accuracy. In particular, the gradient information is included as a regularization term in the gradient-enhanced DNNs approach, for which we present similar posterior estimates (by the two-layer neural networks) as those in the path-norm regularized DNNs approximations. We also discuss the application of this approach to gradient-enhanced uncertainty quantification, and present several numerical experiments to show that the proposed approach can outperform the traditional DNNs approach in many cases of interests.
13.6MLApr 21
Beyond Bellman: High-Order Generator Regression for Continuous-Time Policy EvaluationYaowei Zheng, Richong Zhang, Shenxi Wu et al.
We study finite-horizon continuous-time policy evaluation from discrete closed-loop trajectories under time-inhomogeneous dynamics. The target value surface solves a backward parabolic equation, but the Bellman baseline obtained from one-step recursion is only first-order in the grid width. We estimate the time-dependent generator from multi-step transitions using moment-matching coefficients that cancel lower-order truncation terms, and combine the resulting surrogate with backward regression. The main theory gives an end-to-end decomposition into generator misspecification, projection error, pooling bias, finite-sample error, and start-up error, together with a decision-frequency regime map explaining when higher-order gains should be visible. Across calibration studies, four-scale benchmarks, feature and start-up ablations, and gain-mismatch stress tests, the second-order estimator consistently improves on the Bellman baseline and remains stable in the regime where the theory predicts visible gains. These results position high-order generator regression as an interpretable continuous-time policy-evaluation method with a clear operating region.
4.1CVMay 8
UniISP: A Unified ISP Framework for Both Human and Machine VisionHanxi Li, Yao Cheng, Bo Zhang et al.
Compared to RGB images, raw sensor data provides a richer representation of information, which is crucial for accurate recognition, particularly under challenging conditions such as low-light environments. The traditional Image Signal Processing (ISP) pipeline generates visually pleasing RGB images for human perception through a series of steps, but some of these operations may adversely impact the information integrity by introducing compression and loss. Furthermore, in computer vision tasks that directly utilize raw camera data, most existing methods integrate minimal ISP processing with downstream networks, yet the resulting images are often difficult to visualize or do not align with human aesthetic preferences. This paper proposes UniISP, a novel ISP framework designed to simultaneously meet the requirements of both human visual perception and computer vision applications. By incorporating a carefully designed Hybrid Attention Module (HAM) and employing supervised learning, the proposed method ensures that the generated images are visually appealing. Additionally, a Feature Adapter module is introduced to effectively propagate informative features from the ISP stage to subsequent downstream networks. Extensive experiments demonstrate that our approach achieves state-of-the-art performance across various scenarios and multiple datasets, proving its generalizability and effectiveness.
19.3CVMay 3
Dual-branch Robust Unlearnable ExamplesXianlong Wang, Hangtao Zhang, Wenbo Pan et al.
Unlearnable examples (UEs) aim to compromise model training by injecting imperceptible perturbations to clean samples. However, existing UE schemes exhibit limited robustness against advanced defenses due to their heuristic design or narrowly scoped domain perturbations. To address this, we propose \texttt{DUNE}, a \underline{\textbf{D}}ual-branch \underline{\textbf{UN}}learnable \underline{\textbf{E}}nsemble perturbation optimization approach. Specifically, \texttt{DUNE} separately optimizes perturbations in the spatial and color domains to establish the mapping between perturbations and shift-induced labels. This design extends the perturbation domain to increase noise intensity for improving robustness and drives the models to learn perturbation-oriented features with degraded generalization, thereby achieving unlearnability. To strengthen \texttt{DUNE}'s performance, we further propose an unlearnability-enhancing ensemble strategy that aggregates diverse pre-trained models during the dual-branch optimization. Extensive experiments on benchmark datasets CIFAR-10 and ImageNet verify that \texttt{DUNE}'s robustness outperforms 12 SOTA UE schemes under 7 mainstream defenses, yielding a lower average test accuracy of 14.95\% to 50.82\%.
SPApr 2, 2024
Satellite Federated Edge Learning: Architecture Design and Convergence AnalysisYuanming Shi, Li Zeng, Jingyang Zhu et al.
The proliferation of low-earth-orbit (LEO) satellite networks leads to the generation of vast volumes of remote sensing data which is traditionally transferred to the ground server for centralized processing, raising privacy and bandwidth concerns. Federated edge learning (FEEL), as a distributed machine learning approach, has the potential to address these challenges by sharing only model parameters instead of raw data. Although promising, the dynamics of LEO networks, characterized by the high mobility of satellites and short ground-to-satellite link (GSL) duration, pose unique challenges for FEEL. Notably, frequent model transmission between the satellites and ground incurs prolonged waiting time and large transmission latency. This paper introduces a novel FEEL algorithm, named FEDMEGA, tailored to LEO mega-constellation networks. By integrating inter-satellite links (ISL) for intra-orbit model aggregation, the proposed algorithm significantly reduces the usage of low data rate and intermittent GSL. Our proposed method includes a ring all-reduce based intra-orbit aggregation mechanism, coupled with a network flow-based transmission scheme for global model aggregation, which enhances transmission efficiency. Theoretical convergence analysis is provided to characterize the algorithm performance. Extensive simulations show that our FEDMEGA algorithm outperforms existing satellite FEEL algorithms, exhibiting an approximate 30% improvement in convergence rate.
CYJan 16
Beyond Static Question Banks: Dynamic Knowledge Expansion via LLM-Automated Graph Construction and Adaptive GenerationYingquan Wang, Tianyu Wei, Qinsi Li et al.
Personalized education systems increasingly rely on structured knowledge representations to support adaptive learning and question generation. However, existing approaches face two fundamental limitations. First, constructing and maintaining knowledge graphs for educational content largely depends on manual curation, resulting in high cost and poor scalability. Second, most personalized education systems lack effective support for state-aware and systematic reasoning over learners' knowledge, and therefore rely on static question banks with limited adaptability. To address these challenges, this paper proposes a Generative GraphRAG framework for automated knowledge modeling and personalized exercise generation. It consists of two core modules. The first module, Automated Hierarchical Knowledge Graph Constructor (Auto-HKG), leverages LLMs to automatically construct hierarchical knowledge graphs that capture structured concepts and their semantic relations from educational resources. The second module, Cognitive GraphRAG (CG-RAG), performs graph-based reasoning over a learner mastery graph and combines it with retrieval-augmented generation to produce personalized exercises that adapt to individual learning states. The proposed framework has been deployed in real-world educational scenarios, where it receives favorable user feedback, suggesting its potential to support practical personalized education systems.
CLApr 8, 2024
EFSA: Towards Event-Level Financial Sentiment AnalysisTianyu Chen, Yiming Zhang, Guoxin Yu et al.
In this paper, we extend financial sentiment analysis~(FSA) to event-level since events usually serve as the subject of the sentiment in financial text. Though extracting events from the financial text may be conducive to accurate sentiment predictions, it has specialized challenges due to the lengthy and discontinuity of events in a financial text. To this end, we reconceptualize the event extraction as a classification task by designing a categorization comprising coarse-grained and fine-grained event categories. Under this setting, we formulate the \textbf{E}vent-Level \textbf{F}inancial \textbf{S}entiment \textbf{A}nalysis~(\textbf{EFSA} for short) task that outputs quintuples consisting of (company, industry, coarse-grained event, fine-grained event, sentiment) from financial text. A large-scale Chinese dataset containing $12,160$ news articles and $13,725$ quintuples is publicized as a brand new testbed for our task. A four-hop Chain-of-Thought LLM-based approach is devised for this task. Systematically investigations are conducted on our dataset, and the empirical results demonstrate the benchmarking scores of existing methods and our proposed method can reach the current state-of-the-art. Our dataset and framework implementation are available at https://anonymous.4open.science/r/EFSA-645E
CHEM-PHMay 14, 2025
EDBench: Large-Scale Electron Density Data for Molecular ModelingHongxin Xiang, Ke Li, Mingquan Liu et al.
Existing molecular machine learning force fields (MLFFs) generally focus on the learning of atoms, molecules, and simple quantum chemical properties (such as energy and force), but ignore the importance of electron density (ED) $ρ(r)$ in accurately understanding molecular force fields (MFFs). ED describes the probability of finding electrons at specific locations around atoms or molecules, which uniquely determines all ground state properties (such as energy, molecular structure, etc.) of interactive multi-particle systems according to the Hohenberg-Kohn theorem. However, the calculation of ED relies on the time-consuming first-principles density functional theory (DFT) which leads to the lack of large-scale ED data and limits its application in MLFFs. In this paper, we introduce EDBench, a large-scale, high-quality dataset of ED designed to advance learning-based research at the electronic scale. Built upon the PCQM4Mv2, EDBench provides accurate ED data, covering 3.3 million molecules. To comprehensively evaluate the ability of models to understand and utilize electronic information, we design a suite of ED-centric benchmark tasks spanning prediction, retrieval, and generation. Our evaluation on several state-of-the-art methods demonstrates that learning from EDBench is not only feasible but also achieves high accuracy. Moreover, we show that learning-based method can efficiently calculate ED with comparable precision while significantly reducing the computational cost relative to traditional DFT calculations. All data and benchmarks from EDBench will be freely available, laying a robust foundation for ED-driven drug discovery and materials science.
CLMay 26, 2025
DocMEdit: Towards Document-Level Model EditingLi Zeng, Zeming Liu, Chong Feng et al.
Model editing aims to correct errors and outdated knowledge in the Large language models (LLMs) with minimal cost. Prior research has proposed a variety of datasets to assess the effectiveness of these model editing methods. However, most existing datasets only require models to output short phrases or sentences, overlooks the widespread existence of document-level tasks in the real world, raising doubts about their practical usability. Aimed at addressing this limitation and promoting the application of model editing in real-world scenarios, we propose the task of document-level model editing. To tackle such challenges and enhance model capabilities in practical settings, we introduce \benchmarkname, a dataset focused on document-level model editing, characterized by document-level inputs and outputs, extrapolative, and multiple facts within a single edit. We propose a series of evaluation metrics and experiments. The results show that the difficulties in document-level model editing pose challenges for existing model editing methods.
DCApr 18, 2025
High-Throughput LLM inference on Heterogeneous ClustersYi Xiong, Jinqi Huang, Wenjie Huang et al.
Nowadays, many companies possess various types of AI accelerators, forming heterogeneous clusters. Efficiently leveraging these clusters for high-throughput large language model (LLM) inference services can significantly reduce costs and expedite task processing. However, LLM inference on heterogeneous clusters presents two main challenges. Firstly, different deployment configurations can result in vastly different performance. The number of possible configurations is large, and evaluating the effectiveness of a specific setup is complex. Thus, finding an optimal configuration is not an easy task. Secondly, LLM inference instances within a heterogeneous cluster possess varying processing capacities, leading to different processing speeds for handling inference requests. Evaluating these capacities and designing a request scheduling algorithm that fully maximizes the potential of each instance is challenging. In this paper, we propose a high-throughput inference service system on heterogeneous clusters. First, the deployment configuration is optimized by modeling the resource amount and expected throughput and using the exhaustive search method. Second, a novel mechanism is proposed to schedule requests among instances, which fully considers the different processing capabilities of various instances. Extensive experiments show that the proposed scheduler improves throughput by 122.5% and 33.6% on two heterogeneous clusters, respectively.
LGApr 6, 2024
Transform then Explore: a Simple and Effective Technique for Exploratory Combinatorial Optimization with Reinforcement LearningTianle Pu, Changjun Fan, Mutian Shen et al.
Many complex problems encountered in both production and daily life can be conceptualized as combinatorial optimization problems (COPs) over graphs. Recent years, reinforcement learning (RL) based models have emerged as a promising direction, which treat the COPs solving as a heuristic learning problem. However, current finite-horizon-MDP based RL models have inherent limitations. They are not allowed to explore adquately for improving solutions at test time, which may be necessary given the complexity of NP-hard optimization tasks. Some recent attempts solve this issue by focusing on reward design and state feature engineering, which are tedious and ad-hoc. In this work, we instead propose a much simpler but more effective technique, named gauge transformation (GT). The technique is originated from physics, but is very effective in enabling RL agents to explore to continuously improve the solutions during test. Morever, GT is very simple, which can be implemented with less than 10 lines of Python codes, and can be applied to a vast majority of RL models. Experimentally, we show that traditional RL models with GT technique produce the state-of-the-art performances on the MaxCut problem. Furthermore, since GT is independent of any RL models, it can be seamlessly integrated into various RL frameworks, paving the way of these models for more effective explorations in the solving of general COPs.
LGJan 25, 2024
LocMoE: A Low-Overhead MoE for Large Language Model TrainingJing Li, Zhijie Sun, Xuan He et al.
The Mixtures-of-Experts (MoE) model is a widespread distributed and integrated learning method for large language models (LLM), which is favored due to its ability to sparsify and expand models efficiently. However, the performance of MoE is limited by load imbalance and high latency of All-to-All communication, along with relatively redundant computation owing to large expert capacity. Load imbalance may result from existing routing policies that consistently tend to select certain experts. The frequent inter-node communication in the All-to-All procedure also significantly prolongs the training time. To alleviate the above performance problems, we propose a novel routing strategy that combines load balance and locality by converting partial inter-node communication to that of intra-node. Notably, we elucidate that there is a minimum threshold for expert capacity, calculated through the maximal angular deviation between the gating weights of the experts and the assigned tokens. We port these modifications on the PanGu-Sigma model based on the MindSpore framework with multi-level routing and conduct experiments on Ascend clusters. The experiment results demonstrate that the proposed LocMoE reduces training time per epoch by 12.68% to 22.24% compared to classical routers, such as hash router and switch router, without impacting the model accuracy.
LGMay 15, 2023
Bounded KRnet and its applications to density estimation and approximationLi Zeng, Xiaoliang Wan, Tao Zhou
In this paper, we develop an invertible mapping, called B-KRnet, on a bounded domain and apply it to density estimation/approximation for data or the solutions of PDEs such as the Fokker-Planck equation and the Keller-Segel equation. Similar to KRnet, B-KRnet consists of a series of coupling layers with progressively fewer active transformation dimensions, inspired by the triangular structure of the Knothe-Rosenblatt (KR) rearrangement. The main difference between B-KRnet and KRnet is that B-KRnet is defined on a hypercube while KRnet is defined on the whole space, in other words, a new mechanism is introduced in B-KRnet to maintain the exact invertibility. Using B-KRnet as a transport map, we obtain an explicit probability density function (PDF) model that corresponds to the pushforward of a base (uniform) distribution on the hypercube. It can be directly applied to density estimation when only data are available. By coupling KRnet and B-KRnet, we define a deep generative model on a high-dimensional domain where some dimensions are bounded and other dimensions are unbounded. A typical case is the solution of the stationary kinetic Fokker-Planck equation, which is a PDF of position and momentum. Based on B-KRnet, we develop an adaptive learning approach to approximate partial differential equations whose solutions are PDFs or can be treated as PDFs. A variety of numerical experiments is presented to demonstrate the effectiveness of B-KRnet.
LGDec 28, 2021
Solving time dependent Fokker-Planck equations via temporal normalizing flowXiaodong Feng, Li Zeng, Tao Zhou
In this work, we propose an adaptive learning approach based on temporal normalizing flows for solving time-dependent Fokker-Planck (TFP) equations. It is well known that solutions of such equations are probability density functions, and thus our approach relies on modelling the target solutions with the temporal normalizing flows. The temporal normalizing flow is then trained based on the TFP loss function, without requiring any labeled data. Being a machine learning scheme, the proposed approach is mesh-free and can be easily applied to high dimensional problems. We present a variety of test problems to show the effectiveness of the learning approach.
MLAug 26, 2020
A general kernel boosting framework integrating pathways for predictive modeling based on genomic dataLi Zeng, Zhaolong Yu, Yiliang Zhang et al.
Predictive modeling based on genomic data has gained popularity in biomedical research and clinical practice by allowing researchers and clinicians to identify biomarkers and tailor treatment decisions more efficiently. Analysis incorporating pathway information can boost discovery power and better connect new findings with biological mechanisms. In this article, we propose a general framework, Pathway-based Kernel Boosting (PKB), which incorporates clinical information and prior knowledge about pathways for prediction of binary, continuous and survival outcomes. We introduce appropriate loss functions and optimization procedures for different outcome types. Our prediction algorithm incorporates pathway knowledge by constructing kernel function spaces from the pathways and use them as base learners in the boosting procedure. Through extensive simulations and case studies in drug response and cancer survival datasets, we demonstrate that PKB can substantially outperform other competing methods, better identify biological pathways related to drug response and patient survival, and provide novel insights into cancer pathogenesis and treatment response.
SIMay 24, 2019
Learning to Identify High Betweenness Centrality Nodes from Scratch: A Novel Graph Neural Network ApproachChangjun Fan, Li Zeng, Yuhui Ding et al.
Betweenness centrality (BC) is one of the most used centrality measures for network analysis, which seeks to describe the importance of nodes in a network in terms of the fraction of shortest paths that pass through them. It is key to many valuable applications, including community detection and network dismantling. Computing BC scores on large networks is computationally challenging due to high time complexity. Many approximation algorithms have been proposed to speed up the estimation of BC, which are mainly sampling-based. However, these methods are still prone to considerable execution time on large-scale networks, and their results are often exacerbated when small changes happen to the network structures. In this paper, we focus on identifying nodes with high BC in a graph, since many application scenarios are built upon retrieving nodes with top-k BC. Different from previous heuristic methods, we turn this task into a learning problem and design an encoder-decoder based framework to resolve the problem. More specifcally, the encoder leverages the network structure to encode each node into an embedding vector, which captures the important structural information of the node. The decoder transforms the embedding vector for each node into a scalar, which captures the relative rank of this node in terms of BC. We use the pairwise ranking loss to train the model to identify the orders of nodes regarding their BC. By training on small-scale networks, the learned model is capable of assigning relative BC scores to nodes for any unseen networks, and thus identifying the highly-ranked nodes. Comprehensive experiments on both synthetic and real-world networks demonstrate that, compared to representative baselines, our model drastically speeds up the prediction without noticeable sacrifce in accuracy, and outperforms the state-of-the-art by accuracy on several large real-world networks.
MLMar 11, 2018
A pathway-based kernel boosting method for sample classification using genomic dataLi Zeng, Zhaolong Yu, Hongyu Zhao
The analysis of cancer genomic data has long suffered "the curse of dimensionality". Sample sizes for most cancer genomic studies are a few hundreds at most while there are tens of thousands of genomic features studied. Various methods have been proposed to leverage prior biological knowledge, such as pathways, to more effectively analyze cancer genomic data. Most of the methods focus on testing marginal significance of the associations between pathways and clinical phenotypes. They can identify relevant pathways, but do not involve predictive modeling. In this article, we propose a Pathway-based Kernel Boosting (PKB) method for integrating gene pathway information for sample classification, where we use kernel functions calculated from each pathway as base learners and learn the weights through iterative optimization of the classification loss function. We apply PKB and several competing methods to three cancer studies with pathological and clinical information, including tumor grade, stage, tumor sites, and metastasis status. Our results show that PKB outperforms other methods, and identifies pathways relevant to the outcome variables.
CRSep 17, 2014
Cryptanalyzing an image encryption algorithm based on scrambling and Veginere cipherLi Zeng, Renren Liu, Leo Yu Zhang et al.
Recently, an image encryption algorithm based on scrambling and Vegin`ere cipher has been proposed. However, it was soon cryptanalyzed by Zhang et al. using a combination of chosen-plaintext attack and differential attack. This paper briefly reviews the two attack methods proposed by Zhang et al. and outlines the mathematical interpretations of them. Based on their work, we present an improved chosen-plaintext attack to further reduce the number of chosen-plaintexts required, which is proved to be optimal. Moreover, it is found that an elaborately designed known-plaintex attack can efficiently compromise the image cipher under study. This finding is verified by both mathematical analysis and numerical simulations. The cryptanalyzing techniques described in this paper may provide some insights for designing secure and efficient multimedia ciphers.