Daochen Zha

Daochen Zha, Zaid Pervaiz Bhat, Kwei-Herng Lai et al.

Artificial Intelligence (AI) is making a profound impact in almost every domain. A vital enabler of its great success is the availability of abundant and high-quality data for building machine learning models. Recently, the role of data in AI has been significantly magnified, giving rise to the emerging concept of data-centric AI. The attention of researchers and practitioners has gradually shifted from advancing model design to enhancing the quality and quantity of the data. In this survey, we discuss the necessity of data-centric AI, followed by a holistic view of three general data-centric goals (training data development, inference data development, and data maintenance) and the representative methods. We also organize the existing literature from automation and collaboration perspectives, discuss the challenges, and tabulate the benchmarks for various tasks. We believe this is the first comprehensive survey that provides a global view of a spectrum of tasks across various stages of the data lifecycle. We hope it can help the readers efficiently grasp a broad picture of this field, and equip them with the techniques and further research ideas to systematically engineer data for building AI systems. A companion list of data-centric AI resources will be regularly updated on https://github.com/daochenzha/data-centric-AI

Daochen Zha, Zaid Pervaiz Bhat, Kwei-Herng Lai et al.

The role of data in building AI systems has recently been significantly magnified by the emerging concept of data-centric AI (DCAI), which advocates a fundamental shift from model advancements to ensuring data quality and reliability. Although our community has continuously invested efforts into enhancing data in different aspects, they are often isolated initiatives on specific tasks. To facilitate the collective initiative in our community and push forward DCAI, we draw a big picture and bring together three general missions: training data development, inference data development, and data maintenance. We provide a top-level discussion on representative DCAI tasks and share perspectives. Finally, we list open challenges. More resources are summarized at https://github.com/daochenzha/data-centric-AI

Xiao-Yang Liu, Guoxuan Wang, Hongyang Yang et al.

Large language models (LLMs) have demonstrated remarkable proficiency in understanding and generating human-like texts, which may potentially revolutionize the finance industry. However, existing LLMs often fall short in the financial field, which is mainly attributed to the disparities between general text data and financial text data. Unfortunately, there is only a limited number of financial text datasets available, and BloombergGPT, the first financial LLM (FinLLM), is close-sourced (only the training logs were released). In light of this, we aim to democratize Internet-scale financial data for LLMs, which is an open challenge due to diverse data sources, low signal-to-noise ratio, and high time-validity. To address the challenges, we introduce an open-sourced and data-centric framework, Financial Generative Pre-trained Transformer (FinGPT), that automates the collection and curation of real-time financial data from 34 diverse sources on the Internet, providing researchers and practitioners with accessible and transparent resources to develop their FinLLMs. Additionally, we propose a simple yet effective strategy for fine-tuning FinLLM using the inherent feedback from the market, dubbed Reinforcement Learning with Stock Prices (RLSP). We also adopt the Low-rank Adaptation (LoRA, QLoRA) method that enables users to customize their own FinLLMs from general-purpose LLMs at a low cost. Finally, we showcase several FinGPT applications, including robo-advisor, sentiment analysis for algorithmic trading, and low-code development. FinGPT aims to democratize FinLLMs, stimulate innovation, and unlock new opportunities in open finance. The codes have been open-sourced.

Zhiyao Zhou, Sheng Zhou, Bochao Mao et al.

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

Xiao-Yang Liu, Ziyi Xia, Hongyang Yang et al.

The financial market is a particularly challenging playground for deep reinforcement learning due to its unique feature of dynamic datasets. Building high-quality market environments for training financial reinforcement learning (FinRL) agents is difficult due to major factors such as the low signal-to-noise ratio of financial data, survivorship bias of historical data, and model overfitting. In this paper, we present FinRL-Meta, a data-centric and openly accessible library that processes dynamic datasets from real-world markets into gym-style market environments and has been actively maintained by the AI4Finance community. First, following a DataOps paradigm, we provide hundreds of market environments through an automatic data curation pipeline. Second, we provide homegrown examples and reproduce popular research papers as stepping stones for users to design new trading strategies. We also deploy the library on cloud platforms so that users can visualize their own results and assess the relative performance via community-wise competitions. Third, we provide dozens of Jupyter/Python demos organized into a curriculum and a documentation website to serve the rapidly growing community. The open-source codes for the data curation pipeline are available at https://github.com/AI4Finance-Foundation/FinRL-Meta

Qiaoyu Tan, Xin Zhang, Ninghao Liu et al.

Graph neural networks (GNNs) have received remarkable success in link prediction (GNNLP) tasks. Existing efforts first predefine the subgraph for the whole dataset and then apply GNNs to encode edge representations by leveraging the neighborhood structure induced by the fixed subgraph. The prominence of GNNLP methods significantly relies on the adhoc subgraph. Since node connectivity in real-world graphs is complex, one shared subgraph is limited for all edges. Thus, the choices of subgraphs should be personalized to different edges. However, performing personalized subgraph selection is nontrivial since the potential selection space grows exponentially to the scale of edges. Besides, the inference edges are not available during training in link prediction scenarios, so the selection process needs to be inductive. To bridge the gap, we introduce a Personalized Subgraph Selector (PS2) as a plug-and-play framework to automatically, personally, and inductively identify optimal subgraphs for different edges when performing GNNLP. PS2 is instantiated as a bi-level optimization problem that can be efficiently solved differently. Coupling GNNLP models with PS2, we suggest a brand-new angle towards GNNLP training: by first identifying the optimal subgraphs for edges; and then focusing on training the inference model by using the sampled subgraphs. Comprehensive experiments endorse the effectiveness of our proposed method across various GNNLP backbones (GCN, GraphSage, NGCF, LightGCN, and SEAL) and diverse benchmarks (Planetoid, OGB, and Recommendation datasets). Our code is publicly available at \url{https://github.com/qiaoyu-tan/PS2}

Yu-Neng Chuang, Guanchu Wang, Chia-Yuan Chang et al.

The exponential growth in scholarly publications necessitates advanced tools for efficient article retrieval, especially in interdisciplinary fields where diverse terminologies are used to describe similar research. Traditional keyword-based search engines often fall short in assisting users who may not be familiar with specific terminologies. To address this, we present a knowledge graph-based paper search engine for biomedical research to enhance the user experience in discovering relevant queries and articles. The system, dubbed DiscoverPath, employs Named Entity Recognition (NER) and part-of-speech (POS) tagging to extract terminologies and relationships from article abstracts to create a KG. To reduce information overload, DiscoverPath presents users with a focused subgraph containing the queried entity and its neighboring nodes and incorporates a query recommendation system, enabling users to iteratively refine their queries. The system is equipped with an accessible Graphical User Interface that provides an intuitive visualization of the KG, query recommendations, and detailed article information, enabling efficient article retrieval, thus fostering interdisciplinary knowledge exploration. DiscoverPath is open-sourced at https://github.com/ynchuang/DiscoverPath.

Daochen Zha, Louis Feng, Qiaoyu Tan et al.

We study embedding table placement for distributed recommender systems, which aims to partition and place the tables on multiple hardware devices (e.g., GPUs) to balance the computation and communication costs. Although prior work has explored learning-based approaches for the device placement of computational graphs, embedding table placement remains to be a challenging problem because of 1) the operation fusion of embedding tables, and 2) the generalizability requirement on unseen placement tasks with different numbers of tables and/or devices. To this end, we present DreamShard, a reinforcement learning (RL) approach for embedding table placement. DreamShard achieves the reasoning of operation fusion and generalizability with 1) a cost network to directly predict the costs of the fused operation, and 2) a policy network that is efficiently trained on an estimated Markov decision process (MDP) without real GPU execution, where the states and the rewards are estimated with the cost network. Equipped with sum and max representation reductions, the two networks can directly generalize to any unseen tasks with different numbers of tables and/or devices without fine-tuning. Extensive experiments show that DreamShard substantially outperforms the existing human expert and RNN-based strategies with up to 19% speedup over the strongest baseline on large-scale synthetic tables and our production tables. The code is available at https://github.com/daochenzha/dreamshard

Daochen Zha, Louis Feng, Bhargav Bhushanam et al.

Embedding learning is an important technique in deep recommendation models to map categorical features to dense vectors. However, the embedding tables often demand an extremely large number of parameters, which become the storage and efficiency bottlenecks. Distributed training solutions have been adopted to partition the embedding tables into multiple devices. However, the embedding tables can easily lead to imbalances if not carefully partitioned. This is a significant design challenge of distributed systems named embedding table sharding, i.e., how we should partition the embedding tables to balance the costs across devices, which is a non-trivial task because 1) it is hard to efficiently and precisely measure the cost, and 2) the partition problem is known to be NP-hard. In this work, we introduce our novel practice in Meta, namely AutoShard, which uses a neural cost model to directly predict the multi-table costs and leverages deep reinforcement learning to solve the partition problem. Experimental results on an open-sourced large-scale synthetic dataset and Meta's production dataset demonstrate the superiority of AutoShard over the heuristics. Moreover, the learned policy of AutoShard can transfer to sharding tasks with various numbers of tables and different ratios of the unseen tables without any fine-tuning. Furthermore, AutoShard can efficiently shard hundreds of tables in seconds. The effectiveness, transferability, and efficiency of AutoShard make it desirable for production use. Our algorithms have been deployed in Meta production environment. A prototype is available at https://github.com/daochenzha/autoshard

Daochen Zha, Kwei-Herng Lai, Qiaoyu Tan et al.

Imbalanced learning is a fundamental challenge in data mining, where there is a disproportionate ratio of training samples in each class. Over-sampling is an effective technique to tackle imbalanced learning through generating synthetic samples for the minority class. While numerous over-sampling algorithms have been proposed, they heavily rely on heuristics, which could be sub-optimal since we may need different sampling strategies for different datasets and base classifiers, and they cannot directly optimize the performance metric. Motivated by this, we investigate developing a learning-based over-sampling algorithm to optimize the classification performance, which is a challenging task because of the huge and hierarchical decision space. At the high level, we need to decide how many synthetic samples to generate. At the low level, we need to determine where the synthetic samples should be located, which depends on the high-level decision since the optimal locations of the samples may differ for different numbers of samples. To address the challenges, we propose AutoSMOTE, an automated over-sampling algorithm that can jointly optimize different levels of decisions. Motivated by the success of SMOTE~\cite{chawla2002smote} and its extensions, we formulate the generation process as a Markov decision process (MDP) consisting of three levels of policies to generate synthetic samples within the SMOTE search space. Then we leverage deep hierarchical reinforcement learning to optimize the performance metric on the validation data. Extensive experiments on six real-world datasets demonstrate that AutoSMOTE significantly outperforms the state-of-the-art resampling algorithms. The code is at https://github.com/daochenzha/autosmote

Jiajin Liu, Dongzhe Fan, Chuanhao Ji et al.

Vision-Language Models (VLMs) have demonstrated remarkable capabilities in aligning and understanding multimodal signals, yet their potential to reason over structured data, where multimodal entities are connected through explicit relational graphs, remains largely underexplored. Unlocking this capability is crucial for real-world applications such as social networks, recommendation systems, and scientific discovery, where multimodal information is inherently structured. To bridge this gap, we present GraphVLM, a systematic benchmark designed to evaluate and harness the capabilities of VLMs for multimodal graph learning (MMGL). GraphVLM investigates three complementary paradigms for integrating VLMs with graph reasoning: (1) VLM-as-Encoder, which enriches graph neural networks through multimodal feature fusion; (2) VLM-as-Aligner, which bridges modalities in latent or linguistic space to facilitate LLM-based structured reasoning; and (3) VLM-as-Predictor, which directly employs VLMs as multimodal backbones for graph learning tasks. Extensive experiments across six datasets from diverse domains demonstrate that VLMs enhance multimodal graph learning via all three roles. Among these paradigms, VLM-as-Predictor achieves the most substantial and consistent performance gains, revealing the untapped potential of vision-language models as a new foundation for multimodal graph learning. The benchmark code is publicly available at https://github.com/oamyjin/GraphVLM.

Shuang Zhou, Zidu Xu, Mian Zhang et al.

Automatic disease diagnosis has become increasingly valuable in clinical practice. The advent of large language models (LLMs) has catalyzed a paradigm shift in artificial intelligence, with growing evidence supporting the efficacy of LLMs in diagnostic tasks. Despite the increasing attention in this field, a holistic view is still lacking. Many critical aspects remain unclear, such as the diseases and clinical data to which LLMs have been applied, the LLM techniques employed, and the evaluation methods used. In this article, we perform a comprehensive review of LLM-based methods for disease diagnosis. Our review examines the existing literature across various dimensions, including disease types and associated clinical specialties, clinical data, LLM techniques, and evaluation methods. Additionally, we offer recommendations for applying and evaluating LLMs for diagnostic tasks. Furthermore, we assess the limitations of current research and discuss future directions. To our knowledge, this is the first comprehensive review for LLM-based disease diagnosis.

Yicheng Wang, Xiaotian Han, Chia-Yuan Chang et al.

Physics-informed neural networks (PINNs) are revolutionizing science and engineering practice by bringing together the power of deep learning to bear on scientific computation. In forward modeling problems, PINNs are meshless partial differential equation (PDE) solvers that can handle irregular, high-dimensional physical domains. Naturally, the neural architecture hyperparameters have a large impact on the efficiency and accuracy of the PINN solver. However, this remains an open and challenging problem because of the large search space and the difficulty of identifying a proper search objective for PDEs. Here, we propose Auto-PINN, the first systematic, automated hyperparameter optimization approach for PINNs, which employs Neural Architecture Search (NAS) techniques to PINN design. Auto-PINN avoids manually or exhaustively searching the hyperparameter space associated with PINNs. A comprehensive set of pre-experiments using standard PDE benchmarks allows us to probe the structure-performance relationship in PINNs. We find that the different hyperparameters can be decoupled, and that the training loss function of PINNs is a good search objective. Comparison experiments with baseline methods demonstrate that Auto-PINN produces neural architectures with superior stability and accuracy over alternative baselines.

Aaron Ferber, Taoan Huang, Daochen Zha et al.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose $\textbf{SurCo}$ that learns linear $\underline{\text{Sur}}$rogate costs which can be used in existing $\underline{\text{Co}}$mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three $\texttt{SurCo}$ variants: $\texttt{SurCo}-\texttt{zero}$ for individual nonlinear problems, $\texttt{SurCo}-\texttt{prior}$ for problem distributions, and $\texttt{SurCo}-\texttt{hybrid}$ to combine both distribution and problem-specific information. We give theoretical intuition motivating $\texttt{SurCo}$, and evaluate it empirically. Experiments show that $\texttt{SurCo}$ finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Zirui Liu, Shengyuan Chen, Kaixiong Zhou et al.

The training of graph neural networks (GNNs) is extremely time consuming because sparse graph-based operations are hard to be accelerated by hardware. Prior art explores trading off the computational precision to reduce the time complexity via sampling-based approximation. Based on the idea, previous works successfully accelerate the dense matrix based operations (e.g., convolution and linear) with negligible accuracy drop. However, unlike dense matrices, sparse matrices are stored in the irregular data format such that each row/column may have different number of non-zero entries. Thus, compared to the dense counterpart, approximating sparse operations has two unique challenges (1) we cannot directly control the efficiency of approximated sparse operation since the computation is only executed on non-zero entries; (2) sub-sampling sparse matrices is much more inefficient due to the irregular data format. To address the issues, our key idea is to control the accuracy-efficiency trade off by optimizing computation resource allocation layer-wisely and epoch-wisely. Specifically, for the first challenge, we customize the computation resource to different sparse operations, while limit the total used resource below a certain budget. For the second challenge, we cache previous sampled sparse matrices to reduce the epoch-wise sampling overhead. Finally, we propose a switching mechanisms to improve the generalization of GNNs trained with approximated operations. To this end, we propose Randomized Sparse Computation, which for the first time demonstrate the potential of training GNNs with approximated operations. In practice, rsc can achieve up to $11.6\times$ speedup for a single sparse operation and a $1.6\times$ end-to-end wall-clock time speedup with negligible accuracy drop.

Sirui Ding, Ruixiang Tang, Daochen Zha et al.

Liver transplant is an essential therapy performed for severe liver diseases. The fact of scarce liver resources makes the organ assigning crucial. Model for End-stage Liver Disease (MELD) score is a widely adopted criterion when making organ distribution decisions. However, it ignores post-transplant outcomes and organ/donor features. These limitations motivate the emergence of machine learning (ML) models. Unfortunately, ML models could be unfair and trigger bias against certain groups of people. To tackle this problem, this work proposes a fair machine learning framework targeting graft failure prediction in liver transplant. Specifically, knowledge distillation is employed to handle dense and sparse features by combining the advantages of tree models and neural networks. A two-step debiasing method is tailored for this framework to enhance fairness. Experiments are conducted to analyze unfairness issues in existing models and demonstrate the superiority of our method in both prediction and fairness performance.

Diego Martinez, Daochen Zha, Qiaoyu Tan et al.

Feature preprocessing, which transforms raw input features into numerical representations, is a crucial step in automated machine learning (AutoML) systems. However, the existing systems often have a very small search space for feature preprocessing with the same preprocessing pipeline applied to all the numerical features. This may result in sub-optimal performance since different datasets often have various feature characteristics, and features within a dataset may also have their own preprocessing preferences. To bridge this gap, we explore personalized preprocessing pipeline search, where the search algorithm is allowed to adopt a different preprocessing pipeline for each feature. This is a challenging task because the search space grows exponentially with more features. To tackle this challenge, we propose ClusterP3S, a novel framework for Personalized Preprocessing Pipeline Search via Clustering. The key idea is to learn feature clusters such that the search space can be significantly reduced by using the same preprocessing pipeline for the features within a cluster. To this end, we propose a hierarchical search strategy to jointly learn the clusters and search for the optimal pipelines, where the upper-level search optimizes the feature clustering to enable better pipelines built upon the clusters, and the lower-level search optimizes the pipeline given a specific cluster assignment. We instantiate this idea with a deep clustering network that is trained with reinforcement learning at the upper level, and random search at the lower level. Experiments on benchmark classification datasets demonstrate the effectiveness of enabling feature-wise preprocessing pipeline search.

Alain Andres, Daochen Zha, Javier Del Ser

Exploration poses a fundamental challenge in Reinforcement Learning (RL) with sparse rewards, limiting an agent's ability to learn optimal decision-making due to a lack of informative feedback signals. Self-Imitation Learning (self-IL) has emerged as a promising approach for exploration, leveraging a replay buffer to store and reproduce successful behaviors. However, traditional self-IL methods, which rely on high-return transitions and assume singleton environments, face challenges in generalization, especially in procedurally-generated (PCG) environments. Therefore, new self-IL methods have been proposed to rank which experiences to persist, but they replay transitions uniformly regardless of their significance, and do not address the diversity of the stored demonstrations. In this work, we propose tailored self-IL sampling strategies by prioritizing transitions in different ways and extending prioritization techniques to PCG environments. We also address diversity loss through modifications to counteract the impact of generalization requirements and bias introduced by prioritization techniques. Our experimental analysis, conducted over three PCG sparse reward environments, including MiniGrid and ProcGen, highlights the benefits of our proposed modifications, achieving a new state-of-the-art performance in the MiniGrid-MultiRoom-N12-S10 environment.

Guanchu Wang, Ninghao Liu, Daochen Zha et al.

Anomaly detection, where data instances are discovered containing feature patterns different from the majority, plays a fundamental role in various applications. However, it is challenging for existing methods to handle the scenarios where the instances are systems whose characteristics are not readily observed as data. Appropriate interactions are needed to interact with the systems and identify those with abnormal responses. Detecting system-wise anomalies is a challenging task due to several reasons including: how to formally define the system-wise anomaly detection problem; how to find the effective activation signal for interacting with systems to progressively collect the data and learn the detector; how to guarantee stable training in such a non-stationary scenario with real-time interactions? To address the challenges, we propose InterSAD (Interactive System-wise Anomaly Detection). Specifically, first, we adopt Markov decision process to model the interactive systems, and define anomalous systems as anomalous transition and anomalous reward systems. Then, we develop an end-to-end approach which includes an encoder-decoder module that learns system embeddings, and a policy network to generate effective activation for separating embeddings of normal and anomaly systems. Finally, we design a training method to stabilize the learning process, which includes a replay buffer to store historical interaction data and allow them to be re-sampled. Experiments on two benchmark environments, including identifying the anomalous robotic systems and detecting user data poisoning in recommendation models, demonstrate the superiority of InterSAD compared with state-of-the-art baselines methods.

Kwei-Herng Lai, Daochen Zha, Huiyuan Chen et al.

Imbalanced datasets are commonly observed in various real-world applications, presenting significant challenges in training classifiers. When working with large datasets, the imbalanced issue can be further exacerbated, making it exceptionally difficult to train classifiers effectively. To address the problem, over-sampling techniques have been developed to linearly interpolating data instances between minorities and their neighbors. However, in many real-world scenarios such as anomaly detection, minority instances are often dispersed diversely in the feature space rather than clustered together. Inspired by domain-agnostic data mix-up, we propose generating synthetic samples iteratively by mixing data samples from both minority and majority classes. It is non-trivial to develop such a framework, the challenges include source sample selection, mix-up strategy selection, and the coordination between the underlying model and mix-up strategies. To tackle these challenges, we formulate the problem of iterative data mix-up as a Markov decision process (MDP) that maps data attributes onto an augmentation strategy. To solve the MDP, we employ an actor-critic framework to adapt the discrete-continuous decision space. This framework is utilized to train a data augmentation policy and design a reward signal that explores classifier uncertainty and encourages performance improvement, irrespective of the classifier's convergence. We demonstrate the effectiveness of our proposed framework through extensive experiments conducted on seven publicly available benchmark datasets using three different types of classifiers. The results of these experiments showcase the potential and promise of our framework in addressing imbalanced datasets with diverse minorities.

Jiajin Liu, Dongzhe Fan, Jiacheng Shen et al.

Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in representing and understanding diverse modalities. However, they typically focus on modality alignment in a pairwise manner while overlooking structural relationships across data points. Integrating multimodality with structured graph information (i.e., multimodal graphs, MMGs) is essential for real-world applications such as social networks, healthcare, and recommendation systems. Existing MMG learning methods fall into three paradigms based on how they leverage MLLMs: Encoder, Aligner, and Predictor. MLLM-as-Encoder focuses on enhancing graph neural networks (GNNs) via multimodal feature fusion; MLLM-as-Aligner aligns multimodal attributes in language or hidden space to enable LLM-based graph reasoning; MLLM-as-Predictor treats MLLMs as standalone reasoners with in-context learning or fine-tuning. Despite their advances, the MMG field lacks a unified benchmark to fairly evaluate across these approaches, making it unclear what progress has been made. To bridge this gap, we present Graph-MLLM, a comprehensive benchmark for multimodal graph learning by systematically evaluating these three paradigms across six datasets with different domains. Through extensive experiments, we observe that jointly considering the visual and textual attributes of the nodes benefits graph learning, even when using pre-trained text-to-image alignment models (e.g., CLIP) as encoders. We also find that converting visual attributes into textual descriptions further improves performance compared to directly using visual inputs. Moreover, we observe that fine-tuning MLLMs on specific MMGs can achieve state-of-the-art results in most scenarios, even without explicit graph structure information. We hope that our open-sourced library will facilitate rapid, equitable evaluation and inspire further innovative research in this field.

Yi Fang, Dongzhe Fan, Daochen Zha et al.

This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the graph's topological structure, we aim to improve view generation through language supervision. This is driven by the prevalence of textual attributes in real applications, which complement graph structures with rich semantic information. However, this presents challenges because of two major reasons. First, text attributes often vary in length and quality, making it difficulty to perturb raw text descriptions without altering their original semantic meanings. Second, although text attributes complement graph structures, they are not inherently well-aligned. To bridge the gap, we introduce GAugLLM, a novel framework for augmenting TAGs. It leverages advanced large language models like Mistral to enhance self-supervised graph learning. Specifically, we introduce a mixture-of-prompt-expert technique to generate augmented node features. This approach adaptively maps multiple prompt experts, each of which modifies raw text attributes using prompt engineering, into numerical feature space. Additionally, we devise a collaborative edge modifier to leverage structural and textual commonalities, enhancing edge augmentation by examining or building connections between nodes. Empirical results across five benchmark datasets spanning various domains underscore our framework's ability to enhance the performance of leading contrastive methods as a plug-in tool. Notably, we observe that the augmented features and graph structure can also enhance the performance of standard generative methods, as well as popular graph neural networks. The open-sourced implementation of our GAugLLM is available at Github.

Yuhao Xu, Xinqi Liu, Keyu Duan et al.

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

Shuang Zhou, Daochen Zha, Xiao Shen et al.

Time series self-supervised learning (SSL) aims to exploit unlabeled data for pre-training to mitigate the reliance on labels. Despite the great success in recent years, there is limited discussion on the potential noise in the time series, which can severely impair the performance of existing SSL methods. To mitigate the noise, the de facto strategy is to apply conventional denoising methods before model training. However, this pre-processing approach may not fully eliminate the effect of noise in SSL for two reasons: (i) the diverse types of noise in time series make it difficult to automatically determine suitable denoising methods; (ii) noise can be amplified after mapping raw data into latent space. In this paper, we propose denoising-aware contrastive learning (DECL), which uses contrastive learning objectives to mitigate the noise in the representation and automatically selects suitable denoising methods for every sample. Extensive experiments on various datasets verify the effectiveness of our method. The code is open-sourced.

Daochen Zha, Louis Feng, Liang Luo et al.

Sharding a large machine learning model across multiple devices to balance the costs is important in distributed training. This is challenging because partitioning is NP-hard, and estimating the costs accurately and efficiently is difficult. In this work, we explore a "pre-train, and search" paradigm for efficient sharding. The idea is to pre-train a universal and once-for-all neural network to predict the costs of all the possible shards, which serves as an efficient sharding simulator. Built upon this pre-trained cost model, we then perform an online search to identify the best sharding plans given any specific sharding task. We instantiate this idea in deep learning recommendation models (DLRMs) and propose NeuroShard for embedding table sharding. NeuroShard pre-trains neural cost models on augmented tables to cover various sharding scenarios. Then it identifies the best column-wise and table-wise sharding plans with beam search and greedy grid search, respectively. Experiments show that NeuroShard significantly and consistently outperforms the state-of-the-art on the benchmark sharding dataset, achieving up to 23.8% improvement. When deployed in an ultra-large production DLRM with multi-terabyte embedding tables, NeuroShard achieves 11.6% improvement in embedding costs over the state-of-the-art, which translates to 6.6% end-to-end training throughput improvement. To facilitate future research of the "pre-train, and search" paradigm in ML for Systems, we open-source our code at https://github.com/daochenzha/neuroshard

Guanchu Wang, Zaid Pervaiz Bhat, Zhimeng Jiang et al.

Deploying deep neural networks~(DNNs) on edge devices provides efficient and effective solutions for the real-world tasks. Edge devices have been used for collecting a large volume of data efficiently in different domains. DNNs have been an effective tool for data processing and analysis. However, designing DNNs on edge devices is challenging due to the limited computational resources and memory. To tackle this challenge, we demonstrate Object Detection System for Edge Devices~(BED) on the MAX78000 DNN accelerator. It integrates on-device DNN inference with a camera and an LCD display for image acquisition and detection exhibition, respectively. BED is a concise, effective and detailed solution, including model training, quantization, synthesis and deployment. The entire repository is open-sourced on Github, including a Graphical User Interface~(GUI) for on-chip debugging. Experiment results indicate that BED can produce accurate detection with a 300-KB tiny DNN model, which takes only 91.9 ms of inference time and 1.845 mJ of energy. The real-time detection is available at YouTube.

Daochen Zha, Kwei-Herng Lai, Kaixiong Zhou et al.

We study time-series classification (TSC), a fundamental task of time-series data mining. Prior work has approached TSC from two major directions: (1) similarity-based methods that classify time-series based on the nearest neighbors, and (2) deep learning models that directly learn the representations for classification in a data-driven manner. Motivated by the different working mechanisms within these two research lines, we aim to connect them in such a way as to jointly model time-series similarities and learn the representations. This is a challenging task because it is unclear how we should efficiently leverage similarity information. To tackle the challenge, we propose Similarity-Aware Time-Series Classification (SimTSC), a conceptually simple and general framework that models similarity information with graph neural networks (GNNs). Specifically, we formulate TSC as a node classification problem in graphs, where the nodes correspond to time-series, and the links correspond to pair-wise similarities. We further design a graph construction strategy and a batch training algorithm with negative sampling to improve training efficiency. We instantiate SimTSC with ResNet as the backbone and Dynamic Time Warping (DTW) as the similarity measure. Extensive experiments on the full UCR datasets and several multivariate datasets demonstrate the effectiveness of incorporating similarity information into deep learning models in both supervised and semi-supervised settings. Our code is available at https://github.com/daochenzha/SimTSC

Daochen Zha, Zaid Pervaiz Bhat, Yi-Wei Chen et al.

Action recognition is an important task for video understanding with broad applications. However, developing an effective action recognition solution often requires extensive engineering efforts in building and testing different combinations of the modules and their hyperparameters. In this demo, we present AutoVideo, a Python system for automated video action recognition. AutoVideo is featured for 1) highly modular and extendable infrastructure following the standard pipeline language, 2) an exhaustive list of primitives for pipeline construction, 3) data-driven tuners to save the efforts of pipeline tuning, and 4) easy-to-use Graphical User Interface (GUI). AutoVideo is released under MIT license at https://github.com/datamllab/autovideo

Daochen Zha, Jingru Xie, Wenye Ma et al.

Games are abstractions of the real world, where artificial agents learn to compete and cooperate with other agents. While significant achievements have been made in various perfect- and imperfect-information games, DouDizhu (a.k.a. Fighting the Landlord), a three-player card game, is still unsolved. DouDizhu is a very challenging domain with competition, collaboration, imperfect information, large state space, and particularly a massive set of possible actions where the legal actions vary significantly from turn to turn. Unfortunately, modern reinforcement learning algorithms mainly focus on simple and small action spaces, and not surprisingly, are shown not to make satisfactory progress in DouDizhu. In this work, we propose a conceptually simple yet effective DouDizhu AI system, namely DouZero, which enhances traditional Monte-Carlo methods with deep neural networks, action encoding, and parallel actors. Starting from scratch in a single server with four GPUs, DouZero outperformed all the existing DouDizhu AI programs in days of training and was ranked the first in the Botzone leaderboard among 344 AI agents. Through building DouZero, we show that classic Monte-Carlo methods can be made to deliver strong results in a hard domain with a complex action space. The code and an online demo are released at https://github.com/kwai/DouZero with the hope that this insight could motivate future work.

Daochen Zha, Kwei-Herng Lai, Kaixiong Zhou et al.

Supervised regression to demonstrations has been demonstrated to be a stable way to train deep policy networks. We are motivated to study how we can take full advantage of supervised loss functions for stably training deep reinforcement learning agents. This is a challenging task because it is unclear how the training data could be collected to enable policy improvement. In this work, we propose Self-Supervised Reinforcement Learning (SSRL), a simple algorithm that optimizes policies with purely supervised losses. We demonstrate that, without policy gradient or value estimation, an iterative procedure of ``labeling" data and supervised regression is sufficient to drive stable policy improvement. By selecting and imitating trajectories with high episodic rewards, SSRL is surprisingly competitive to contemporary algorithms with more stable performance and less running time, showing the potential of solving reinforcement learning with supervised learning techniques. The code is available at https://github.com/daochenzha/SSRL

Daochen Zha, Wenye Ma, Lei Yuan et al.

Exploration under sparse reward is a long-standing challenge of model-free reinforcement learning. The state-of-the-art methods address this challenge by introducing intrinsic rewards to encourage exploration in novel states or uncertain environment dynamics. Unfortunately, methods based on intrinsic rewards often fall short in procedurally-generated environments, where a different environment is generated in each episode so that the agent is not likely to visit the same state more than once. Motivated by how humans distinguish good exploration behaviors by looking into the entire episode, we introduce RAPID, a simple yet effective episode-level exploration method for procedurally-generated environments. RAPID regards each episode as a whole and gives an episodic exploration score from both per-episode and long-term views. Those highly scored episodes are treated as good exploration behaviors and are stored in a small ranking buffer. The agent then imitates the episodes in the buffer to reproduce the past good exploration behaviors. We demonstrate our method on several procedurally-generated MiniGrid environments, a first-person-view 3D Maze navigation task from MiniWorld, and several sparse MuJoCo tasks. The results show that RAPID significantly outperforms the state-of-the-art intrinsic reward strategies in terms of sample efficiency and final performance. The code is available at https://github.com/daochenzha/rapid

Kwei-Herng Lai, Daochen Zha, Guanchu Wang et al.

We present TODS, an automated Time Series Outlier Detection System for research and industrial applications. TODS is a highly modular system that supports easy pipeline construction. The basic building block of TODS is primitive, which is an implementation of a function with hyperparameters. TODS currently supports 70 primitives, including data processing, time series processing, feature analysis, detection algorithms, and a reinforcement module. Users can freely construct a pipeline using these primitives and perform end- to-end outlier detection with the constructed pipeline. TODS provides a Graphical User Interface (GUI), where users can flexibly design a pipeline with drag-and-drop. Moreover, a data-driven searcher is provided to automatically discover the most suitable pipelines given a dataset. TODS is released under Apache 2.0 license at https://github.com/datamllab/tods.

Daochen Zha, Kwei-Herng Lai, Yuanpu Cao et al.

RLCard is an open-source toolkit for reinforcement learning research in card games. It supports various card environments with easy-to-use interfaces, including Blackjack, Leduc Hold'em, Texas Hold'em, UNO, Dou Dizhu and Mahjong. The goal of RLCard is to bridge reinforcement learning and imperfect information games, and push forward the research of reinforcement learning in domains with multiple agents, large state and action space, and sparse reward. In this paper, we provide an overview of the key components in RLCard, a discussion of the design principles, a brief introduction of the interfaces, and comprehensive evaluations of the environments. The codes and documents are available at https://github.com/datamllab/rlcard

Yuening Li, Daochen Zha, Na Zou et al.

PyODDS is an end-to end Python system for outlier detection with database support. PyODDS provides outlier detection algorithms which meet the demands for users in different fields, w/wo data science or machine learning background. PyODDS gives the ability to execute machine learning algorithms in-database without moving data out of the database server or over the network. It also provides access to a wide range of outlier detection algorithms, including statistical analysis and more recent deep learning based approaches. PyODDS is released under the MIT open-source license, and currently available at (https://github.com/datamllab/pyodds) with official documentations at (https://pyodds.github.io/).

Haoyu Han, Li Ma, Hanbing Wang et al.

Sequential recommendation has increasingly shifted toward generative recommenders that combine sequential patterns with semantic item information. Yet these methods are often evaluated on a small set of widely used benchmarks, raising a key question: do these benchmarks actually require the advanced modeling capabilities that modern generative recommenders claim to provide? We conduct a benchmark audit with an intentionally simple graph heuristic. Starting from only the last one or two interacted items, it retrieves candidates from a few-hop item-transition graph and ranks them by item-feature similarity. Despite using no sequence encoder, generative objective, or training, this heuristic matches or outperforms many modern baselines, with relative NDCG@10 improvements of 38.10% and 44.18% over the best competing baseline on Amazon Review Sports and CDs. We show that this behavior reflects shortcut solvability rather than an artifact of one heuristic. We identify three shortcut structures that can make next-item prediction easier than expected: low-branching local transitions, feature-smooth transitions, and limited dependence on long user histories. These shortcuts need not appear together; even one or two strong signals can make simple local retrieval highly competitive, while weakening them makes the benefits of more sophisticated models clearer. Across 14 datasets, model rankings vary substantially with dataset properties, yet the heuristic remains competitive on 10 of them. Our findings suggest that strong performance on standard benchmarks does not always demonstrate advanced sequential, semantic, or generative modeling ability. We call for more careful dataset selection and dataset-level diagnostic analysis when using benchmarks to support claims about new recommendation models.

Xiao-Yang Liu, Rongyi Zhu, Daochen Zha et al.

The surge in interest and application of large language models (LLMs) has sparked a drive to fine-tune these models to suit specific applications, such as finance and medical science. However, concerns regarding data privacy have emerged, especially when multiple stakeholders aim to collaboratively enhance LLMs using sensitive data. In this scenario, federated learning becomes a natural choice, allowing decentralized fine-tuning without exposing raw data to central servers. Motivated by this, we investigate how data privacy can be ensured in LLM fine-tuning through practical federated learning approaches, enabling secure contributions from multiple parties to enhance LLMs. Yet, challenges arise: 1) despite avoiding raw data exposure, there is a risk of inferring sensitive information from model outputs, and 2) federated learning for LLMs incurs notable communication overhead. To address these challenges, this article introduces DP-LoRA, a novel federated learning algorithm tailored for LLMs. DP-LoRA preserves data privacy by employing a Gaussian mechanism that adds noise in weight updates, maintaining individual data privacy while facilitating collaborative model training. Moreover, DP-LoRA optimizes communication efficiency via low-rank adaptation, minimizing the transmission of updated weights during distributed training. The experimental results across medical, financial, and general datasets using various LLMs demonstrate that DP-LoRA effectively ensures strict privacy constraints while minimizing communication overhead.

Qinggang Zhang, Junnan Dong, Hao Chen et al.

Large Language Models (LLMs) have demonstrated remarkable capabilities in many real-world applications. Nonetheless, LLMs are often criticized for their tendency to produce hallucinations, wherein the models fabricate incorrect statements on tasks beyond their knowledge and perception. To alleviate this issue, researchers have explored leveraging the factual knowledge in knowledge graphs (KGs) to ground the LLM's responses in established facts and principles. However, most state-of-the-art LLMs are closed-source, making it challenging to develop a prompting framework that can efficiently and effectively integrate KGs into LLMs with hard prompts only. Generally, existing KG-enhanced LLMs usually suffer from three critical issues, including huge search space, high API costs, and laborious prompt engineering, that impede their widespread application in practice. To this end, we introduce a novel Knowledge Graph based PrompTing framework, namely KnowGPT, to enhance LLMs with domain knowledge. KnowGPT contains a knowledge extraction module to extract the most informative knowledge from KGs, and a context-aware prompt construction module to automatically convert extracted knowledge into effective prompts. Experiments on three benchmarks demonstrate that KnowGPT significantly outperforms all competitors. Notably, KnowGPT achieves a 92.6% accuracy on OpenbookQA leaderboard, comparable to human-level performance.

Junnan Dong, Qinggang Zhang, Huachi Zhou et al.

Knowledge-based visual question answering (KVQA) has been extensively studied to answer visual questions with external knowledge, e.g., knowledge graphs (KGs). While several attempts have been proposed to leverage large language models (LLMs) as an implicit knowledge source, it remains challenging since LLMs may generate hallucinations. Moreover, multiple knowledge sources, e.g., images, KGs and LLMs, cannot be readily aligned for complex scenarios. To tackle these, we present a novel modality-aware integration with LLMs for KVQA (MAIL). It carefully leverages multimodal knowledge for both image understanding and knowledge reasoning. Specifically, (i) we propose a two-stage prompting strategy with LLMs to densely embody the image into a scene graph with detailed visual features; (ii) We construct a coupled concept graph by linking the mentioned entities with external facts. (iii) A tailored pseudo-siamese graph medium fusion is designed for sufficient multimodal fusion. We utilize the shared mentioned entities in two graphs as mediums to bridge a tight inter-modal exchange, while maximally preserving insightful intra-modal learning by constraining the fusion within mediums. Extensive experiments on two benchmark datasets show the superiority of MAIL with 24x less resources.

Yu-Neng Chuang, Songchen Li, Jiayi Yuan et al.

Time Series Forecasting (TSF) has long been a challenge in time series analysis. Inspired by the success of Large Language Models (LLMs), researchers are now developing Large Time Series Models (LTSMs)-universal transformer-based models that use autoregressive prediction-to improve TSF. However, training LTSMs on heterogeneous time series data poses unique challenges, including diverse frequencies, dimensions, and patterns across datasets. Recent endeavors have studied and evaluated various design choices aimed at enhancing LTSM training and generalization capabilities. However, these design choices are typically studied and evaluated in isolation and are not benchmarked collectively. In this work, we introduce LTSM-Bundle, a comprehensive toolbox, and benchmark for training LTSMs, spanning pre-processing techniques, model configurations, and dataset configuration. It modularized and benchmarked LTSMs from multiple dimensions, encompassing prompting strategies, tokenization approaches, training paradigms, base model selection, data quantity, and dataset diversity. Furthermore, we combine the most effective design choices identified in our study. Empirical results demonstrate that this combination achieves superior zero-shot and few-shot performances compared to state-of-the-art LTSMs and traditional TSF methods on benchmark datasets.

Xin Zhang, Daochen Zha, Qiaoyu Tan

This work studies ensemble learning for graph neural networks (GNNs) under the popular semi-supervised setting. Ensemble learning has shown superiority in improving the accuracy and robustness of traditional machine learning by combining the outputs of multiple weak learners. However, adopting a similar idea to integrate different GNN models is challenging because of two reasons. First, GNN is notorious for its poor inference ability, so naively assembling multiple GNN models would deteriorate the inference efficiency. Second, when GNN models are trained with few labeled nodes, their performance are limited. In this case, the vanilla ensemble approach, e.g., majority vote, may be sub-optimal since most base models, i.e., GNNs, may make the wrong predictions. To this end, in this paper, we propose an efficient ensemble learner--E2GNN to assemble multiple GNNs in a learnable way by leveraging both labeled and unlabeled nodes. Specifically, we first pre-train different GNN models on a given data scenario according to the labeled nodes. Next, instead of directly combing their outputs for label inference, we train a simple multi-layer perceptron--MLP model to mimic their predictions on both labeled and unlabeled nodes. Then the unified MLP model is deployed to infer labels for unlabeled or new nodes. Since the predictions of unlabeled nodes from different GNN models may be incorrect, we develop a reinforced discriminator to effectively filter out those wrongly predicted nodes to boost the performance of MLP. By doing this, we suggest a principled approach to tackle the inference issues of GNN ensembles and maintain the merit of ensemble learning: improved performance. Comprehensive experiments over both transductive and inductive settings, across different GNN backbones and 8 benchmark datasets, demonstrate the superiority of E2GNN.

Zirui Liu, Guanchu Wang, Shaochen Zhong et al.

With the rapid growth in model size, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usage, the primary memory bottleneck during training arises from storing feature maps, also known as activations, as they are crucial for gradient calculation. Notably, neural networks are usually trained using stochastic gradient descent. We argue that in stochastic optimization, models can handle noisy gradients as long as the gradient estimator is unbiased with reasonable variance. Following this motivation, we propose a new family of unbiased estimators called WTA-CRS, for matrix production with reduced variance, which only requires storing the sub-sampled activations for calculating the gradient. Our work provides both theoretical and experimental evidence that, in the context of tuning transformers, our proposed estimators exhibit lower variance compared to existing ones. By replacing the linear operation with our approximated one in transformers, we can achieve up to 2.7$\times$ peak memory reduction with almost no accuracy drop and enables up to $6.4\times$ larger batch size. Under the same hardware, WTA-CRS enables better down-streaming task performance by applying larger models and/or faster training speed with larger batch sizes.

Mingyang Wan, Daochen Zha, Ninghao Liu et al.

Machine learning models are becoming pervasive in high-stakes applications. Despite their clear benefits in terms of performance, the models could show discrimination against minority groups and result in fairness issues in a decision-making process, leading to severe negative impacts on the individuals and the society. In recent years, various techniques have been developed to mitigate the unfairness for machine learning models. Among them, in-processing methods have drawn increasing attention from the community, where fairness is directly taken into consideration during model design to induce intrinsically fair models and fundamentally mitigate fairness issues in outputs and representations. In this survey, we review the current progress of in-processing fairness mitigation techniques. Based on where the fairness is achieved in the model, we categorize them into explicit and implicit methods, where the former directly incorporates fairness metrics in training objectives, and the latter focuses on refining latent representation learning. Finally, we conclude the survey with a discussion of the research challenges in this community to motivate future exploration.

Kaixiong Zhou, Xiao Huang, Daochen Zha et al.

Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the over-smoothing issue. Node embeddings tend to converge to similar vectors when GNNs keep recursively aggregating the representations of neighbors. To enable deep GNNs, several methods have been explored recently. But they are developed from either techniques in convolutional neural networks or heuristic strategies. There is no generalizable and theoretical principle to guide the design of deep GNNs. To this end, we analyze the bottleneck of deep GNNs by leveraging the Dirichlet energy of node embeddings, and propose a generalizable principle to guide the training of deep GNNs. Based on it, a novel deep GNN framework -- EGNN is designed. It could provide lower and upper constraints in terms of Dirichlet energy at each layer to avoid over-smoothing. Experimental results demonstrate that EGNN achieves state-of-the-art performance by using deep layers.

Yuening Li, Zhengzhang Chen, Daochen Zha et al.

Time-series representation learning is a fundamental task for time-series analysis. While significant progress has been made to achieve accurate representations for downstream applications, the learned representations often lack interpretability and do not expose semantic meanings. Different from previous efforts on the entangled feature space, we aim to extract the semantic-rich temporal correlations in the latent interpretable factorized representation of the data. Motivated by the success of disentangled representation learning in computer vision, we study the possibility of learning semantic-rich time-series representations, which remains unexplored due to three main challenges: 1) sequential data structure introduces complex temporal correlations and makes the latent representations hard to interpret, 2) sequential models suffer from KL vanishing problem, and 3) interpretable semantic concepts for time-series often rely on multiple factors instead of individuals. To bridge the gap, we propose Disentangle Time Series (DTS), a novel disentanglement enhancement framework for sequential data. Specifically, to generate hierarchical semantic concepts as the interpretable and disentangled representation of time-series, DTS introduces multi-level disentanglement strategies by covering both individual latent factors and group semantic segments. We further theoretically show how to alleviate the KL vanishing problem: DTS introduces a mutual information maximization term, while preserving a heavier penalty on the total correlation and the dimension-wise KL to keep the disentanglement property. Experimental results on various real-world benchmark datasets demonstrate that the representations learned by DTS achieve superior performance in downstream applications, with high interpretability of semantic concepts.

Daochen Zha, Kwei-Herng Lai, Mingyang Wan et al.

High false-positive rate is a long-standing challenge for anomaly detection algorithms, especially in high-stake applications. To identify the true anomalies, in practice, analysts or domain experts will be employed to investigate the top instances one by one in a ranked list of anomalies identified by an anomaly detection system. This verification procedure generates informative labels that can be leveraged to re-rank the anomalies so as to help the analyst to discover more true anomalies given a time budget. Some re-ranking strategies have been proposed to approximate the above sequential decision process. Specifically, existing strategies have been focused on making the top instances more likely to be anomalous based on the feedback. Then they greedily select the top-1 instance for query. However, these greedy strategies could be sub-optimal since some low-ranked instances could be more helpful in the long-term. In this work, we propose Active Anomaly Detection with Meta-Policy (Meta-AAD), a novel framework that learns a meta-policy for query selection. Specifically, Meta-AAD leverages deep reinforcement learning to train the meta-policy to select the most proper instance to explicitly optimize the number of discovered anomalies throughout the querying process. Meta-AAD is easy to deploy since a trained meta-policy can be directly applied to any new datasets without further tuning. Extensive experiments on 24 benchmark datasets demonstrate that Meta-AAD significantly outperforms the state-of-the-art re-ranking strategies and the unsupervised baseline. The empirical analysis shows that the trained meta-policy is transferable and inherently achieves a balance between long-term and short-term rewards.

Kwei-Herng Lai, Daochen Zha, Kaixiong Zhou et al.

Graph data are pervasive in many real-world applications. Recently, increasing attention has been paid on graph neural networks (GNNs), which aim to model the local graph structures and capture the hierarchical patterns by aggregating the information from neighbors with stackable network modules. Motivated by the observation that different nodes often require different iterations of aggregation to fully capture the structural information, in this paper, we propose to explicitly sample diverse iterations of aggregation for different nodes to boost the performance of GNNs. It is a challenging task to develop an effective aggregation strategy for each node, given complex graphs and sparse features. Moreover, it is not straightforward to derive an efficient algorithm since we need to feed the sampled nodes into different number of network layers. To address the above challenges, we propose Policy-GNN, a meta-policy framework that models the sampling procedure and message passing of GNNs into a combined learning process. Specifically, Policy-GNN uses a meta-policy to adaptively determine the number of aggregations for each node. The meta-policy is trained with deep reinforcement learning (RL) by exploiting the feedback from the model. We further introduce parameter sharing and a buffer mechanism to boost the training efficiency. Experimental results on three real-world benchmark datasets suggest that Policy-GNN significantly outperforms the state-of-the-art alternatives, showing the promise in aggregation optimization for GNNs.

Yuening Li, Zhengzhang Chen, Daochen Zha et al.

Outlier detection is an important data mining task with numerous practical applications such as intrusion detection, credit card fraud detection, and video surveillance. However, given a specific complicated task with big data, the process of building a powerful deep learning based system for outlier detection still highly relies on human expertise and laboring trials. Although Neural Architecture Search (NAS) has shown its promise in discovering effective deep architectures in various domains, such as image classification, object detection, and semantic segmentation, contemporary NAS methods are not suitable for outlier detection due to the lack of intrinsic search space, unstable search process, and low sample efficiency. To bridge the gap, in this paper, we propose AutoOD, an automated outlier detection framework, which aims to search for an optimal neural network model within a predefined search space. Specifically, we firstly design a curiosity-guided search strategy to overcome the curse of local optimality. A controller, which acts as a search agent, is encouraged to take actions to maximize the information gain about the controller's internal belief. We further introduce an experience replay mechanism based on self-imitation learning to improve the sample efficiency. Experimental results on various real-world benchmark datasets demonstrate that the deep model identified by AutoOD achieves the best performance, comparing with existing handcrafted models and traditional search methods.

Kaixiong Zhou, Xiao Huang, Yuening Li et al.

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance of GNNs as the number of layers increases. It is because the stacked aggregators would make node representations converge to indistinguishable vectors. Several attempts have been made to tackle the issue by bringing linked node pairs close and unlinked pairs distinct. However, they often ignore the intrinsic community structures and would result in sub-optimal performance. The representations of nodes within the same community/class need be similar to facilitate the classification, while different classes are expected to be separated in embedding space. To bridge the gap, we introduce two over-smoothing metrics and a novel technique, i.e., differentiable group normalization (DGN). It normalizes nodes within the same group independently to increase their smoothness, and separates node distributions among different groups to significantly alleviate the over-smoothing issue. Experiments on real-world datasets demonstrate that DGN makes GNN models more robust to over-smoothing and achieves better performance with deeper GNNs.

Kwei-Herng Lai, Daochen Zha, Yuening Li et al.

Policy distillation, which transfers a teacher policy to a student policy has achieved great success in challenging tasks of deep reinforcement learning. This teacher-student framework requires a well-trained teacher model which is computationally expensive. Moreover, the performance of the student model could be limited by the teacher model if the teacher model is not optimal. In the light of collaborative learning, we study the feasibility of involving joint intellectual efforts from diverse perspectives of student models. In this work, we introduce dual policy distillation(DPD), a student-student framework in which two learners operate on the same environment to explore different perspectives of the environment and extract knowledge from each other to enhance their learning. The key challenge in developing this dual learning framework is to identify the beneficial knowledge from the peer learner for contemporary learning-based reinforcement learning algorithms, since it is unclear whether the knowledge distilled from an imperfect and noisy peer learner would be helpful. To address the challenge, we theoretically justify that distilling knowledge from a peer learner will lead to policy improvement and propose a disadvantageous distillation strategy based on the theoretical results. The conducted experiments on several continuous control tasks show that the proposed framework achieves superior performance with a learning-based agent and function approximation without the use of expensive teacher models.

Yuening Li, Daochen Zha, Praveen Kumar Venugopal et al.

Outlier detection is an important task for various data mining applications. Current outlier detection techniques are often manually designed for specific domains, requiring large human efforts of database setup, algorithm selection, and hyper-parameter tuning. To fill this gap, we present PyODDS, an automated end-to-end Python system for Outlier Detection with Database Support, which automatically optimizes an outlier detection pipeline for a new data source at hand. Specifically, we define the search space in the outlier detection pipeline, and produce a search strategy within the given search space. PyODDS enables end-to-end executions based on an Apache Spark backend server and a light-weight database. It also provides unified interfaces and visualizations for users with or without data science or machine learning background. In particular, we demonstrate PyODDS on several real-world datasets, with quantification analysis and visualization results.