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Large Language Models (LLMs) demonstrate remarkable generalizability across diverse tasks, yet genomic foundation models (GFMs) still require separate finetuning for each downstream application, creating significant overhead as model sizes grow. Moreover, existing GFMs are constrained by rigid output formats, limiting their applicability to various genomic tasks. In this work, we revisit the transformer-based auto-regressive models and introduce Omni-DNA, a family of cross-modal multi-task models ranging from 20 million to 1 billion parameters. Our approach consists of two stages: (i) pretraining on DNA sequences with next token prediction objective, and (ii) expanding the multi-modal task-specific tokens and finetuning for multiple downstream tasks simultaneously. When evaluated on the Nucleotide Transformer and GB benchmarks, Omni-DNA achieves state-of-the-art performance on 18 out of 26 tasks. Through multi-task finetuning, Omni-DNA addresses 10 acetylation and methylation tasks at once, surpassing models trained on each task individually. Finally, we design two complex genomic tasks, DNA2Function and Needle-in-DNA, which map DNA sequences to textual functional descriptions and images, respectively, indicating Omni-DNA's cross-modal capabilities to broaden the scope of genomic applications. All the models are available through https://huggingface.co/collections/zehui127

Node classification is a fundamental task in graph analysis, with broad applications across various fields. Recent breakthroughs in Large Language Models (LLMs) have enabled LLM-based approaches for this task. Although many studies demonstrate the impressive performance of LLM-based methods, the lack of clear design guidelines may hinder their practical application. In this work, we aim to establish such guidelines through a fair and systematic comparison of these algorithms. As a first step, we developed LLMNodeBed, a comprehensive codebase and testbed for node classification using LLMs. It includes ten datasets, eight LLM-based algorithms, and three learning paradigms, and is designed for easy extension with new methods and datasets. Subsequently, we conducted extensive experiments, training and evaluating over 2,200 models, to determine the key settings (e.g., learning paradigms and homophily) and components (e.g., model size) that affect performance. Our findings uncover eight insights, e.g., (1) LLM-based methods can significantly outperform traditional methods in a semi-supervised setting, while the advantage is marginal in a supervised setting; (2) Graph Foundation Models can beat open-source LLMs but still fall short of strong LLMs like GPT-4o in a zero-shot setting. We hope that the release of LLMNodeBed, along with our insights, will facilitate reproducible research and inspire future studies in this field. Codes and datasets are released at \href{https://llmnodebed.github.io/}{https://llmnodebed.github.io/}.

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to understand graph structures and node features. However, the potential of LLMs in graph pattern mining remains largely unexplored. This is a key component in fields such as computational chemistry, biology, and social network analysis. To bridge this gap, this work introduces a comprehensive benchmark to assess LLMs' capabilities in graph pattern tasks. We have developed a benchmark that evaluates whether LLMs can understand graph patterns based on either terminological or topological descriptions. Additionally, our benchmark tests the LLMs' capacity to autonomously discover graph patterns from data. The benchmark encompasses both synthetic and real datasets, and a variety of models, with a total of 11 tasks and 7 models. Our experimental framework is designed for easy expansion to accommodate new models and datasets. Our findings reveal that: (1) LLMs have preliminary abilities to understand graph patterns, with O1-mini outperforming in the majority of tasks; (2) Formatting input data to align with the knowledge acquired during pretraining can enhance performance; (3) The strategies employed by LLMs may differ from those used in conventional algorithms.

Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks, empirical evaluations reveal numerous failures. To deepen our understanding on this discrepancy, we revisit the ability of LLMs on three fundamental graph tasks: graph description translation, graph connectivity, and the shortest-path problem. Our findings suggest that LLMs can fail to understand graph structures through text descriptions and exhibit varying performance for all these three fundamental tasks. Meanwhile, we perform a real-world investigation on knowledge graphs and make consistent observations with our findings. The codes and datasets are available.

Task planning in language agents is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests in natural language into solvable sub-tasks, thereby fulfilling the original requests. In this context, the sub-tasks can be naturally viewed as a graph, where the nodes represent the sub-tasks, and the edges denote the dependencies among them. Consequently, task planning is a decision-making problem that involves selecting a connected path or subgraph within the corresponding graph and invoking it. In this paper, we explore graph learning-based methods for task planning, a direction that is orthogonal to the prevalent focus on prompt design. Our interest in graph learning stems from a theoretical discovery: the biases of attention and auto-regressive loss impede LLMs' ability to effectively navigate decision-making on graphs, which is adeptly addressed by graph neural networks (GNNs). This theoretical insight led us to integrate GNNs with LLMs to enhance overall performance. Extensive experiments demonstrate that GNN-based methods surpass existing solutions even without training, and minimal training can further enhance their performance. The performance gain increases with a larger task graph size., Comment: Accepted by NeurIPS 2024

Graphs are structured data that models complex relations between real-world entities. Heterophilic graphs, where linked nodes are prone to be with different labels or dissimilar features, have recently attracted significant attention and found many real-world applications. Meanwhile, increasing efforts have been made to advance learning from graphs with heterophily. Various graph heterophily measures, benchmark datasets, and learning paradigms are emerging rapidly. In this survey, we comprehensively review existing works on learning from graphs with heterophily. First, we overview over 500 publications, of which more than 340 are directly related to heterophilic graphs. After that, we survey existing metrics of graph heterophily and list recent benchmark datasets. Further, we systematically categorize existing methods based on a hierarchical taxonomy including GNN models, learning paradigms and practical applications. In addition, broader topics related to graph heterophily are also included. Finally, we discuss the primary challenges of existing studies and highlight promising avenues for future research., Comment: 64 pages

Precision medicine tailored to individual patients has gained significant attention in recent times. Machine learning techniques are now employed to process personalized data from various sources, including images, genetics, and assessments. These techniques have demonstrated good outcomes in many clinical prediction tasks. Notably, the approach of constructing graphs by linking similar patients and then applying graph neural networks (GNNs) stands out, because related information from analogous patients are aggregated and considered for prediction. However, selecting the appropriate edge feature to define patient similarity and construct the graph is challenging, given that each patient is depicted by high-dimensional features from diverse sources. Previous studies rely on human expertise to select the edge feature, which is neither scalable nor efficient in pinpointing crucial edge features for complex diseases. In this paper, we propose a novel algorithm named \ours, which can automatically select important features to construct multiple patient similarity graphs, and train GNNs based on these graphs as weak learners in adaptive boosting. \ours{} is evaluated on two real-world medical scenarios and shows superiors performance., Comment: Extended Abstract presented at Machine Learning for Health (ML4H) symposium 2023, December 10th, 2023, New Orleans, United States, 9 pages

Graph neural networks (GNNs) have recently received significant attention. Learning node-wise message propagation in GNNs aims to set personalized propagation steps for different nodes in the graph. Despite the success, existing methods ignore node priority that can be reflected by node influence and heterophily. In this paper, we propose a versatile framework PPro, which can be integrated with most existing GNN models and aim to learn prioritized node-wise message propagation in GNNs. Specifically, the framework consists of three components: a backbone GNN model, a propagation controller to determine the optimal propagation steps for nodes, and a weight controller to compute the priority scores for nodes. We design a mutually enhanced mechanism to compute node priority, optimal propagation step and label prediction. We also propose an alternative optimization strategy to learn the parameters in the backbone GNN model and two parametric controllers. We conduct extensive experiments to compare our framework with other 11 state-of-the-art competitors on 8 benchmark datasets. Experimental results show that our framework can lead to superior performance in terms of propagation strategies and node representations.

Label noise is a common challenge in large datasets, as it can significantly degrade the generalization ability of deep neural networks. Most existing studies focus on noisy labels in computer vision; however, graph models encompass both node features and graph topology as input, and become more susceptible to label noise through message-passing mechanisms. Recently, only a few works have been proposed to tackle the label noise on graphs. One significant limitation is that they operate under the assumption that the graph exhibits homophily and that the labels are distributed smoothly. However, real-world graphs can exhibit varying degrees of heterophily, or even be dominated by heterophily, which results in the inadequacy of the current methods. In this paper, we study graph label noise in the context of arbitrary heterophily, with the aim of rectifying noisy labels and assigning labels to previously unlabeled nodes. We begin by conducting two empirical analyses to explore the impact of graph homophily on graph label noise. Following observations, we propose a efficient algorithm, denoted as $R^{2}LP$. Specifically, $R^{2}LP$ is an iterative algorithm with three steps: (1) reconstruct the graph to recover the homophily property, (2) utilize label propagation to rectify the noisy labels, (3) select high-confidence labels to retain for the next iteration. By iterating these steps, we obtain a set of correct labels, ultimately achieving high accuracy in the node classification task. The theoretical analysis is also provided to demonstrate its remarkable denoising effect. Finally, we perform experiments on ten benchmark datasets with different levels of graph heterophily and various types of noise. In these experiments, we compare the performance of $R^{2}LP$ against ten typical baseline methods. Our results illustrate the superior performance of the proposed $R^{2}LP$., Comment: To appear in KDD2024

LSM-trees are widely adopted as the storage backend of key-value stores. However, optimizing the system performance under dynamic workloads has not been sufficiently studied or evaluated in previous work. To fill the gap, we present RusKey, a key-value store with the following new features: (1) RusKey is a first attempt to orchestrate LSM-tree structures online to enable robust performance under the context of dynamic workloads; (2) RusKey is the first study to use Reinforcement Learning (RL) to guide LSM-tree transformations; (3) RusKey includes a new LSM-tree design, named FLSM-tree, for an efficient transition between different compaction policies -- the bottleneck of dynamic key-value stores. We justify the superiority of the new design with theoretical analysis; (4) RusKey requires no prior workload knowledge for system adjustment, in contrast to state-of-the-art techniques. Experiments show that RusKey exhibits strong performance robustness in diverse workloads, achieving up to 4x better end-to-end performance than the RocksDB system under various settings., Comment: 25 pages, 13 figures

Genes are fundamental for analyzing biological systems and many recent works proposed to utilize gene expression for various biological tasks by deep learning models. Despite their promising performance, it is hard for deep neural networks to provide biological insights for humans due to their black-box nature. Recently, some works integrated biological knowledge with neural networks to improve the transparency and performance of their models. However, these methods can only incorporate partial biological knowledge, leading to suboptimal performance. In this paper, we propose the Biological Factor Regulatory Neural Network (BFReg-NN), a generic framework to model relations among biological factors in cell systems. BFReg-NN starts from gene expression data and is capable of merging most existing biological knowledge into the model, including the regulatory relations among genes or proteins (e.g., gene regulatory networks (GRN), protein-protein interaction networks (PPI)) and the hierarchical relations among genes, proteins and pathways (e.g., several genes/proteins are contained in a pathway). Moreover, BFReg-NN also has the ability to provide new biologically meaningful insights because of its white-box characteristics. Experimental results on different gene expression-based tasks verify the superiority of BFReg-NN compared with baselines. Our case studies also show that the key insights found by BFReg-NN are consistent with the biological literature.

Generative graph self-supervised learning (SSL) aims to learn node representations by reconstructing the input graph data. However, most existing methods focus on unsupervised learning tasks only and very few work has shown its superiority over the state-of-the-art graph contrastive learning (GCL) models, especially on the classification task. While a very recent model has been proposed to bridge the gap, its performance on unsupervised learning tasks is still unknown. In this paper, to comprehensively enhance the performance of generative graph SSL against other GCL models on both unsupervised and supervised learning tasks, we propose the SeeGera model, which is based on the family of self-supervised variational graph auto-encoder (VGAE). Specifically, SeeGera adopts the semi-implicit variational inference framework, a hierarchical variational framework, and mainly focuses on feature reconstruction and structure/feature masking. On the one hand, SeeGera co-embeds both nodes and features in the encoder and reconstructs both links and features in the decoder. Since feature embeddings contain rich semantic information on features, they can be combined with node embeddings to provide fine-grained knowledge for feature reconstruction. On the other hand, SeeGera adds an additional layer for structure/feature masking to the hierarchical variational framework, which boosts the model generalizability. We conduct extensive experiments comparing SeeGera with 9 other state-of-the-art competitors. Our results show that SeeGera can compare favorably against other state-of-the-art GCL methods in a variety of unsupervised and supervised learning tasks., Comment: Accepted by WebConf 2023

Community detection refers to the task of discovering closely related subgraphs to understand the networks. However, traditional community detection algorithms fail to pinpoint a particular kind of community. This limits its applicability in real-world networks, e.g., distinguishing fraud groups from normal ones in transaction networks. Recently, semi-supervised community detection emerges as a solution. It aims to seek other similar communities in the network with few labeled communities as training data. Existing works can be regarded as seed-based: locate seed nodes and then develop communities around seeds. However, these methods are quite sensitive to the quality of selected seeds since communities generated around a mis-detected seed may be irrelevant. Besides, they have individual issues, e.g., inflexibility and high computational overhead. To address these issues, we propose CLARE, which consists of two key components, Community Locator and Community Rewriter. Our idea is that we can locate potential communities and then refine them. Therefore, the community locator is proposed for quickly locating potential communities by seeking subgraphs that are similar to training ones in the network. To further adjust these located communities, we devise the community rewriter. Enhanced by deep reinforcement learning, it suggests intelligent decisions, such as adding or dropping nodes, to refine community structures flexibly. Extensive experiments verify both the effectiveness and efficiency of our work compared with prior state-of-the-art approaches on multiple real-world datasets., Comment: Accepted by KDD'2022

Risk scoring systems have been widely deployed in many applications, which assign risk scores to users according to their behavior sequences. Though many deep learning methods with sophisticated designs have achieved promising results, the black-box nature hinders their applications due to fairness, explainability, and compliance consideration. Rule-based systems are considered reliable in these sensitive scenarios. However, building a rule system is labor-intensive. Experts need to find informative statistics from user behavior sequences, design rules based on statistics and assign weights to each rule. In this paper, we bridge the gap between effective but black-box models and transparent rule models. We propose a two-stage method, RuDi, that distills the knowledge of black-box teacher models into rule-based student models. We design a Monte Carlo tree search-based statistics generation method that can provide a set of informative statistics in the first stage. Then statistics are composed into logical rules with our proposed neural logical networks by mimicking the outputs of teacher models. We evaluate RuDi on three real-world public datasets and an industrial dataset to demonstrate its effectiveness., Comment: CIKM'2022. Codes: https://github.com/yzhang1918/cikm2022rudi

Vector graphics (VG) have been ubiquitous in our daily life with vast applications in engineering, architecture, designs, etc. The VG recognition process of most existing methods is to first render the VG into raster graphics (RG) and then conduct recognition based on RG formats. However, this procedure discards the structure of geometries and loses the high resolution of VG. Recently, another category of algorithms is proposed to recognize directly from the original VG format. But it is affected by the topological errors that can be filtered out by RG rendering. Instead of looking at one format, it is a good solution to utilize the formats of VG and RG together to avoid these shortcomings. Besides, we argue that the VG-to-RG rendering process is essential to effectively combine VG and RG information. By specifying the rules on how to transfer VG primitives to RG pixels, the rendering process depicts the interaction and correlation between VG and RG. As a result, we propose RendNet, a unified architecture for recognition on both 2D and 3D scenarios, which considers both VG/RG representations and exploits their interaction by incorporating the VG-to-RG rasterization process. Experiments show that RendNet can achieve state-of-the-art performance on 2D and 3D object recognition tasks on various VG datasets., Comment: CVPR 2022 Oral

We investigate graph neural networks on graphs with heterophily. Some existing methods amplify a node's neighborhood with multi-hop neighbors to include more nodes with homophily. However, it is a significant challenge to set personalized neighborhood sizes for different nodes. Further, for other homophilous nodes excluded in the neighborhood, they are ignored for information aggregation. To address these problems, we propose two models GloGNN and GloGNN++, which generate a node's embedding by aggregating information from global nodes in the graph. In each layer, both models learn a coefficient matrix to capture the correlations between nodes, based on which neighborhood aggregation is performed. The coefficient matrix allows signed values and is derived from an optimization problem that has a closed-form solution. We further accelerate neighborhood aggregation and derive a linear time complexity. We theoretically explain the models' effectiveness by proving that both the coefficient matrix and the generated node embedding matrix have the desired grouping effect. We conduct extensive experiments to compare our models against 11 other competitors on 15 benchmark datasets in a wide range of domains, scales and graph heterophilies. Experimental results show that our methods achieve superior performance and are also very efficient., Comment: To appear in ICML 2022

In large-scale online services, crucial metrics, a.k.a., key performance indicators (KPIs), are monitored periodically to check their running statuses. Generally, KPIs are aggregated along multiple dimensions and derived by complex calculations among fundamental metrics from the raw data. Once abnormal KPI values are observed, root cause analysis (RCA) can be applied to identify the reasons for anomalies, so that we can troubleshoot quickly. Recently, several automatic RCA techniques were proposed to localize the related dimensions (or a combination of dimensions) to explain the anomalies. However, their analyses are limited to the data on the abnormal metric and ignore the data of other metrics which may be also related to the anomalies, leading to imprecise or even incorrect root causes. To this end, we propose a cross-metric multi-dimensional root cause analysis method, named CMMD, which consists of two key components: 1) relationship modeling, which utilizes graph neural network (GNN) to model the unknown complex calculation among metrics and aggregation function among dimensions from historical data; 2) root cause localization, which adopts the genetic algorithm to efficiently and effectively dive into the raw data and localize the abnormal dimension(s) once the KPI anomalies are detected. Experiments on synthetic datasets, public datasets and online production environment demonstrate the superiority of our proposed CMMD method compared with baselines. Currently, CMMD is running as an online service in Microsoft Azure.

In this paper, we consider a different data format for images: vector graphics. In contrast to raster graphics which are widely used in image recognition, vector graphics can be scaled up or down into any resolution without aliasing or information loss, due to the analytic representation of the primitives in the document. Furthermore, vector graphics are able to give extra structural information on how low-level elements group together to form high level shapes or structures. These merits of graphic vectors have not been fully leveraged in existing methods. To explore this data format, we target on the fundamental recognition tasks: object localization and classification. We propose an efficient CNN-free pipeline that does not render the graphic into pixels (i.e. rasterization), and takes textual document of the vector graphics as input, called YOLaT (You Only Look at Text). YOLaT builds multi-graphs to model the structural and spatial information in vector graphics, and a dual-stream graph neural network is proposed to detect objects from the graph. Our experiments show that by directly operating on vector graphics, YOLaT out-performs raster-graphic based object detection baselines in terms of both average precision and efficiency., Comment: Accepted by NeurIPS2021

Graph convolutional networks (GCNs) have recently enabled a popular class of algorithms for collaborative filtering (CF). Nevertheless, the theoretical underpinnings of their empirical successes remain elusive. In this paper, we endeavor to obtain a better understanding of GCN-based CF methods via the lens of graph signal processing. By identifying the critical role of smoothness, a key concept in graph signal processing, we develop a unified graph convolution-based framework for CF. We prove that many existing CF methods are special cases of this framework, including the neighborhood-based methods, low-rank matrix factorization, linear auto-encoders, and LightGCN, corresponding to different low-pass filters. Based on our framework, we then present a simple and computationally efficient CF baseline, which we shall refer to as Graph Filter based Collaborative Filtering (GF-CF). Given an implicit feedback matrix, GF-CF can be obtained in a closed form instead of expensive training with back-propagation. Experiments will show that GF-CF achieves competitive or better performance against deep learning-based methods on three well-known datasets, notably with a $70\%$ performance gain over LightGCN on the Amazon-book dataset.

We study the problem of applying spectral clustering to cluster multi-scale data, which is data whose clusters are of various sizes and densities. Traditional spectral clustering techniques discover clusters by processing a similarity matrix that reflects the proximity of objects. For multi-scale data, distance-based similarity is not effective because objects of a sparse cluster could be far apart while those of a dense cluster have to be sufficiently close. Following [16], we solve the problem of spectral clustering on multi-scale data by integrating the concept of objects' "reachability similarity" with a given distance-based similarity to derive an objects' coefficient matrix. We propose the algorithm CAST that applies trace Lasso to regularize the coefficient matrix. We prove that the resulting coefficient matrix has the "grouping effect" and that it exhibits "sparsity". We show that these two characteristics imply very effective spectral clustering. We evaluate CAST and 10 other clustering methods on a wide range of datasets w.r.t. various measures. Experimental results show that CAST provides excellent performance and is highly robust across test cases of multi-scale data.

Crowdsourcing can be used to determine a total order for an object set (e.g., the top-10 NBA players) based on crowd opinions. This ranking problem is often decomposed into a set of microtasks (e.g., pairwise comparisons). These microtasks are passed to a large number of workers and their answers are aggregated to infer the ranking. The number of microtasks depends on the budget allocated for the problem. Intuitively, the higher the number of microtask answers, the more accurate the ranking becomes. However, it is often hard to decide the budget required for an accurate ranking. We study how a ranking process can be terminated early, and yet achieve a high-quality ranking and great savings in the budget. We use statistical tools to estimate the quality of the ranking result at any stage of the crowdsourcing process and terminate the process as soon as the desired quality is achieved. Our proposed early-stopping module can be seamlessly integrated with most existing inference algorithms and task assignment methods. We conduct extensive experiments and show that our early-stopping module is better than other existing general stopping criteria. We also implement a prototype system to demonstrate the usability and effectiveness of our approach in practice.

In this paper, we propose a Deep Reinforcement Learning (RL) framework for task arrangement, which is a critical problem for the success of crowdsourcing platforms. Previous works conduct the personalized recommendation of tasks to workers via supervised learning methods. However, the majority of them only consider the benefit of either workers or requesters independently. In addition, they cannot handle the dynamic environment and may produce sub-optimal results. To address these issues, we utilize Deep Q-Network (DQN), an RL-based method combined with a neural network to estimate the expected long-term return of recommending a task. DQN inherently considers the immediate and future reward simultaneously and can be updated in real-time to deal with evolving data and dynamic changes. Furthermore, we design two DQNs that capture the benefit of both workers and requesters and maximize the profit of the platform. To learn value functions in DQN effectively, we also propose novel state representations, carefully design the computation of Q values, and predict transition probabilities and future states. Experiments on synthetic and real datasets demonstrate the superior performance of our framework.

Crowdsourcing employs human workers to solve computer-hard problems, such as data cleaning, entity resolution, and sentiment analysis. When crowdsourcing tabular data, e.g., the attribute values of an entity set, a worker's answers on the different attributes (e.g., the nationality and age of a celebrity star) are often treated independently. This assumption is not always true and can lead to suboptimal crowdsourcing performance. In this paper, we present the T-Crowd system, which takes into consideration the intricate relationships among tasks, in order to converge faster to their true values. Particularly, T-Crowd integrates each worker's answers on different attributes to effectively learn his/her trustworthiness and the true data values. The attribute relationship information is also used to guide task allocation to workers. Finally, T-Crowd seamlessly supports categorical and continuous attributes, which are the two main datatypes found in typical databases. Our extensive experiments on real and synthetic datasets show that T-Crowd outperforms state-of-the-art methods in terms of truth inference and reducing the cost of crowdsourcing.