Yanjie Fu

Wei Fan, Pengyang Wang, Dongkun Wang et al.

The distribution shift in Time Series Forecasting (TSF), indicating series distribution changes over time, largely hinders the performance of TSF models. Existing works towards distribution shift in time series are mostly limited in the quantification of distribution and, more importantly, overlook the potential shift between lookback and horizon windows. To address above challenges, we systematically summarize the distribution shift in TSF into two categories. Regarding lookback windows as input-space and horizon windows as output-space, there exist (i) intra-space shift, that the distribution within the input-space keeps shifted over time, and (ii) inter-space shift, that the distribution is shifted between input-space and output-space. Then we introduce, Dish-TS, a general neural paradigm for alleviating distribution shift in TSF. Specifically, for better distribution estimation, we propose the coefficient net (CONET), which can be any neural architectures, to map input sequences into learnable distribution coefficients. To relieve intra-space and inter-space shift, we organize Dish-TS as a Dual-CONET framework to separately learn the distribution of input- and output-space, which naturally captures the distribution difference of two spaces. In addition, we introduce a more effective training strategy for intractable CONET learning. Finally, we conduct extensive experiments on several datasets coupled with different state-of-the-art forecasting models. Experimental results show Dish-TS consistently boosts them with a more than 20% average improvement. Code is available.

Mingzhe Liu, Han Huang, Hao Feng et al.

Spatiotemporal data mining plays an important role in air quality monitoring, crowd flow modeling, and climate forecasting. However, the originally collected spatiotemporal data in real-world scenarios is usually incomplete due to sensor failures or transmission loss. Spatiotemporal imputation aims to fill the missing values according to the observed values and the underlying spatiotemporal dependence of them. The previous dominant models impute missing values autoregressively and suffer from the problem of error accumulation. As emerging powerful generative models, the diffusion probabilistic models can be adopted to impute missing values conditioned by observations and avoid inferring missing values from inaccurate historical imputation. However, the construction and utilization of conditional information are inevitable challenges when applying diffusion models to spatiotemporal imputation. To address above issues, we propose a conditional diffusion framework for spatiotemporal imputation with enhanced prior modeling, named PriSTI. Our proposed framework provides a conditional feature extraction module first to extract the coarse yet effective spatiotemporal dependencies from conditional information as the global context prior. Then, a noise estimation module transforms random noise to realistic values, with the spatiotemporal attention weights calculated by the conditional feature, as well as the consideration of geographic relationships. PriSTI outperforms existing imputation methods in various missing patterns of different real-world spatiotemporal data, and effectively handles scenarios such as high missing rates and sensor failure. The implementation code is available at https://github.com/LMZZML/PriSTI.

Wei Ju, Yifang Qin, Ziyue Qiao et al.

Point-of-Interest (POI) recommendation, which benefits from the proliferation of GPS-enabled devices and location-based social networks (LBSNs), plays an increasingly important role in recommender systems. It aims to provide users with the convenience to discover their interested places to visit based on previous visits and current status. Most existing methods usually merely leverage recurrent neural networks (RNNs) to explore sequential influences for recommendation. Despite the effectiveness, these methods not only neglect topological geographical influences among POIs, but also fail to model high-order sequential substructures. To tackle the above issues, we propose a Kernel-Based Graph Neural Network (KBGNN) for next POI recommendation, which combines the characteristics of both geographical and sequential influences in a collaborative way. KBGNN consists of a geographical module and a sequential module. On the one hand, we construct a geographical graph and leverage a message passing neural network to capture the topological geographical influences. On the other hand, we explore high-order sequential substructures in the user-aware sequential graph using a graph kernel neural network to capture user preferences. Finally, a consistency learning framework is introduced to jointly incorporate geographical and sequential information extracted from two separate graphs. In this way, the two modules effectively exchange knowledge to mutually enhance each other. Extensive experiments conducted on two real-world LBSN datasets demonstrate the superior performance of our proposed method over the state-of-the-arts. Our codes are available at https://github.com/Fang6ang/KBGNN.

Wangyang Ying, Dongjie Wang, Kunpeng Liu et al.

Feature generation aims to generate new and meaningful features to create a discriminative representation space.A generated feature is meaningful when the generated feature is from a feature pair with inherent feature interaction. In the real world, experienced data scientists can identify potentially useful feature-feature interactions, and generate meaningful dimensions from an exponentially large search space, in an optimal crossing form over an optimal generation path. But, machines have limited human-like abilities.We generalize such learning tasks as self-optimizing feature generation. Self-optimizing feature generation imposes several under-addressed challenges on existing systems: meaningful, robust, and efficient generation. To tackle these challenges, we propose a principled and generic representation-crossing framework to solve self-optimizing feature generation.To achieve hashing representation, we propose a three-step approach: feature discretization, feature hashing, and descriptive summarization. To achieve reinforcement crossing, we develop a hierarchical reinforcement feature crossing approach.We present extensive experimental results to demonstrate the effectiveness and efficiency of the proposed method. The code is available at https://github.com/yingwangyang/HRC_feature_cross.git.

Junchen Ye, Zihan Liu, Bowen Du et al.

Recent studies have shown great promise in applying graph neural networks for multivariate time series forecasting, where the interactions of time series are described as a graph structure and the variables are represented as the graph nodes. Along this line, existing methods usually assume that the graph structure (or the adjacency matrix), which determines the aggregation manner of graph neural network, is fixed either by definition or self-learning. However, the interactions of variables can be dynamic and evolutionary in real-world scenarios. Furthermore, the interactions of time series are quite different if they are observed at different time scales. To equip the graph neural network with a flexible and practical graph structure, in this paper, we investigate how to model the evolutionary and multi-scale interactions of time series. In particular, we first provide a hierarchical graph structure cooperated with the dilated convolution to capture the scale-specific correlations among time series. Then, a series of adjacency matrices are constructed under a recurrent manner to represent the evolving correlations at each layer. Moreover, a unified neural network is provided to integrate the components above to get the final prediction. In this way, we can capture the pair-wise correlations and temporal dependency simultaneously. Finally, experiments on both single-step and multi-step forecasting tasks demonstrate the superiority of our method over the state-of-the-art approaches.

Han Huang, Leilei Sun, Bowen Du et al.

Graph generative models have broad applications in biology, chemistry and social science. However, modelling and understanding the generative process of graphs is challenging due to the discrete and high-dimensional nature of graphs, as well as permutation invariance to node orderings in underlying graph distributions. Current leading autoregressive models fail to capture the permutation invariance nature of graphs for the reliance on generation ordering and have high time complexity. Here, we propose a continuous-time generative diffusion process for permutation invariant graph generation to mitigate these issues. Specifically, we first construct a forward diffusion process defined by a stochastic differential equation (SDE), which smoothly converts graphs within the complex distribution to random graphs that follow a known edge probability. Solving the corresponding reverse-time SDE, graphs can be generated from newly sampled random graphs. To facilitate the reverse-time SDE, we newly design a position-enhanced graph score network, capturing the evolving structure and position information from perturbed graphs for permutation equivariant score estimation. Under the evaluation of comprehensive metrics, our proposed generative diffusion process achieves competitive performance in graph distribution learning. Experimental results also show that GraphGDP can generate high-quality graphs in only 24 function evaluations, much faster than previous autoregressive models.

Dongjie Wang, Yanjie Fu, Kunpeng Liu et al.

Representation (feature) space is an environment where data points are vectorized, distances are computed, patterns are characterized, and geometric structures are embedded. Extracting a good representation space is critical to address the curse of dimensionality, improve model generalization, overcome data sparsity, and increase the availability of classic models. Existing literature, such as feature engineering and representation learning, is limited in achieving full automation (e.g., over heavy reliance on intensive labor and empirical experiences), explainable explicitness (e.g., traceable reconstruction process and explainable new features), and flexible optimal (e.g., optimal feature space reconstruction is not embedded into downstream tasks). Can we simultaneously address the automation, explicitness, and optimal challenges in representation space reconstruction for a machine learning task? To answer this question, we propose a group-wise reinforcement generation perspective. We reformulate representation space reconstruction into an interactive process of nested feature generation and selection, where feature generation is to generate new meaningful and explicit features, and feature selection is to eliminate redundant features to control feature sizes. We develop a cascading reinforcement learning method that leverages three cascading Markov Decision Processes to learn optimal generation policies to automate the selection of features and operations and the feature crossing. We design a group-wise generation strategy to cross a feature group, an operation, and another feature group to generate new features and find the strategy that can enhance exploration efficiency and augment reward signals of cascading agents. Finally, we present extensive experiments to demonstrate the effectiveness, efficiency, traceability, and explicitness of our system.

Liangzhe Han, Xiaojian Ma, Leilei Sun et al.

Traffic demand forecasting by deep neural networks has attracted widespread interest in both academia and industry society. Among them, the pairwise Origin-Destination (OD) demand prediction is a valuable but challenging problem due to several factors: (i) the large number of possible OD pairs, (ii) implicitness of spatial dependence, and (iii) complexity of traffic states. To address the above issues, this paper proposes a Continuous-time and Multi-level dynamic graph representation learning method for Origin-Destination demand prediction (CMOD). Firstly, a continuous-time dynamic graph representation learning framework is constructed, which maintains a dynamic state vector for each traffic node (metro stations or taxi zones). The state vectors keep historical transaction information and are continuously updated according to the most recently happened transactions. Secondly, a multi-level structure learning module is proposed to model the spatial dependency of station-level nodes. It can not only exploit relations between nodes adaptively from data, but also share messages and representations via cluster-level and area-level virtual nodes. Lastly, a cross-level fusion module is designed to integrate multi-level memories and generate comprehensive node representations for the final prediction. Extensive experiments are conducted on two real-world datasets from Beijing Subway and New York Taxi, and the results demonstrate the superiority of our model against the state-of-the-art approaches.

Meng Xiao, Dongjie Wang, Min Wu et al.

Feature transformation aims to reconstruct an effective representation space by mathematically refining the existing features. It serves as a pivotal approach to combat the curse of dimensionality, enhance model generalization, mitigate data sparsity, and extend the applicability of classical models. Existing research predominantly focuses on domain knowledge-based feature engineering or learning latent representations. However, these methods, while insightful, lack full automation and fail to yield a traceable and optimal representation space. An indispensable question arises: Can we concurrently address these limitations when reconstructing a feature space for a machine-learning task? Our initial work took a pioneering step towards this challenge by introducing a novel self-optimizing framework. This framework leverages the power of three cascading reinforced agents to automatically select candidate features and operations for generating improved feature transformation combinations. Despite the impressive strides made, there was room for enhancing its effectiveness and generalization capability. In this extended journal version, we advance our initial work from two distinct yet interconnected perspectives: 1) We propose a refinement of the original framework, which integrates a graph-based state representation method to capture the feature interactions more effectively and develop different Q-learning strategies to alleviate Q-value overestimation further. 2) We utilize a new optimization technique (actor-critic) to train the entire self-optimizing framework in order to accelerate the model convergence and improve the feature transformation performance. Finally, to validate the improved effectiveness and generalization capability of our framework, we perform extensive experiments and conduct comprehensive analyses.

Dongjie Wang, Zhengzhang Chen, Jingchao Ni et al.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

Meng Xiao, Dongjie Wang, Min Wu et al.

The goal of Feature Selection - comprising filter, wrapper, and embedded approaches - is to find the optimal feature subset for designated downstream tasks. Nevertheless, current feature selection methods are limited by: 1) the selection criteria of these methods are varied for different domains, making them hard to generalize; 2) the selection performance of these approaches drops significantly when processing high-dimensional feature space coupled with small sample size. In light of these challenges, we pose the question: can selected feature subsets be more robust, accurate, and input dimensionality agnostic? In this paper, we reformulate the feature selection problem as a deep differentiable optimization task and propose a new research perspective: conceptualizing discrete feature subsetting as continuous embedding space optimization. We introduce a novel and principled framework that encompasses a sequential encoder, an accuracy evaluator, a sequential decoder, and a gradient ascent optimizer. This comprehensive framework includes four important steps: preparation of features-accuracy training data, deep feature subset embedding, gradient-optimized search, and feature subset reconstruction. Specifically, we utilize reinforcement feature selection learning to generate diverse and high-quality training data and enhance generalization. By optimizing reconstruction and accuracy losses, we embed feature selection knowledge into a continuous space using an encoder-evaluator-decoder model structure. We employ a gradient ascent search algorithm to find better embeddings in the learned embedding space. Furthermore, we reconstruct feature selection solutions using these embeddings and select the feature subset with the highest performance for downstream tasks as the optimal subset.

Dongjie Wang, Lingfei Wu, Denghui Zhang et al.

The essential task of urban planning is to generate the optimal land-use configuration of a target area. However, traditional urban planning is time-consuming and labor-intensive. Deep generative learning gives us hope that we can automate this planning process and come up with the ideal urban plans. While remarkable achievements have been obtained, they have exhibited limitations in lacking awareness of: 1) the hierarchical dependencies between functional zones and spatial grids; 2) the peer dependencies among functional zones; and 3) human regulations to ensure the usability of generated configurations. To address these limitations, we develop a novel human-instructed deep hierarchical generative model. We rethink the urban planning generative task from a unique functionality perspective, where we summarize planning requirements into different functionality projections for better urban plan generation. To this end, we develop a three-stage generation process from a target area to zones to grids. The first stage is to label the grids of a target area with latent functionalities to discover functional zones. The second stage is to perceive the planning requirements to form urban functionality projections. We propose a novel module: functionalizer to project the embedding of human instructions and geospatial contexts to the zone-level plan to obtain such projections. Each projection includes the information of land-use portfolios and the structural dependencies across spatial grids in terms of a specific urban function. The third stage is to leverage multi-attentions to model the zone-zone peer dependencies of the functionality projections to generate grid-level land-use configurations. Finally, we present extensive experiments to demonstrate the effectiveness of our framework.

Dongjie Wang, Meng Xiao, Min Wu et al.

Feature transformation aims to generate new pattern-discriminative feature space from original features to improve downstream machine learning (ML) task performances. However, the discrete search space for the optimal feature explosively grows on the basis of combinations of features and operations from low-order forms to high-order forms. Existing methods, such as exhaustive search, expansion reduction, evolutionary algorithms, reinforcement learning, and iterative greedy, suffer from large search space. Overly emphasizing efficiency in algorithm design usually sacrifices stability or robustness. To fundamentally fill this gap, we reformulate discrete feature transformation as a continuous space optimization task and develop an embedding-optimization-reconstruction framework. This framework includes four steps: 1) reinforcement-enhanced data preparation, aiming to prepare high-quality transformation-accuracy training data; 2) feature transformation operation sequence embedding, intending to encapsulate the knowledge of prepared training data within a continuous space; 3) gradient-steered optimal embedding search, dedicating to uncover potentially superior embeddings within the learned space; 4) transformation operation sequence reconstruction, striving to reproduce the feature transformation solution to pinpoint the optimal feature space.

Meng Xiao, Dongjie Wang, Min Wu et al.

Feature transformation for AI is an essential task to boost the effectiveness and interpretability of machine learning (ML). Feature transformation aims to transform original data to identify an optimal feature space that enhances the performances of a downstream ML model. Existing studies either combines preprocessing, feature selection, and generation skills to empirically transform data, or automate feature transformation by machine intelligence, such as reinforcement learning. However, existing studies suffer from: 1) high-dimensional non-discriminative feature space; 2) inability to represent complex situational states; 3) inefficiency in integrating local and global feature information. To fill the research gap, we formulate the feature transformation task as an iterative, nested process of feature generation and selection, where feature generation is to generate and add new features based on original features, and feature selection is to remove redundant features to control the size of feature space. Finally, we present extensive experiments and case studies to illustrate 24.7\% improvements in F1 scores compared with SOTAs and robustness in high-dimensional data.

Hao Dong, Zhiyuan Ning, Pengyang Wang et al.

Temporal knowledge graph (TKG) reasoning aims to predict the future missing facts based on historical information and has gained increasing research interest recently. Lots of works have been made to model the historical structural and temporal characteristics for the reasoning task. Most existing works model the graph structure mainly depending on entity representation. However, the magnitude of TKG entities in real-world scenarios is considerable, and an increasing number of new entities will arise as time goes on. Therefore, we propose a novel architecture modeling with relation feature of TKG, namely aDAptivE path-MemOry Network (DaeMon), which adaptively models the temporal path information between query subject and each object candidate across history time. It models the historical information without depending on entity representation. Specifically, DaeMon uses path memory to record the temporal path information derived from path aggregation unit across timeline considering the memory passing strategy between adjacent timestamps. Extensive experiments conducted on four real-world TKG datasets demonstrate that our proposed model obtains substantial performance improvement and outperforms the state-of-the-art up to 4.8% absolute in MRR.

Meng Xiao, Ziyue Qiao, Yanjie Fu et al.

The peer merit review of research proposals has been the major mechanism for deciding grant awards. However, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign interdisciplinary proposals to appropriate reviewers, so proposals are fairly evaluated. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposal-reviewer matching. Existing systems mainly collect topic labels manually generated by principal investigators. However, such human-reported labels can be non-accurate, incomplete, labor intensive, and time costly. What role can AI play in developing a fair and precise proposal reviewer assignment system? In this study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). Specifically, we first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs for learning representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

Weijieying Ren, Pengyang Wang, Xiaolin Li et al.

In many scenarios, 1) data streams are generated in real time; 2) labeled data are expensive and only limited labels are available in the beginning; 3) real-world data is not always i.i.d. and data drift over time gradually; 4) the storage of historical streams is limited and model updating can only be achieved based on a very short lookback window. This learning setting limits the applicability and availability of many Machine Learning (ML) algorithms. We generalize the learning task under such setting as a semi-supervised drifted stream learning with short lookback problem (SDSL). SDSL imposes two under-addressed challenges on existing methods in semi-supervised learning, continuous learning, and domain adaptation: 1) robust pseudo-labeling under gradual shifts and 2) anti-forgetting adaptation with short lookback. To tackle these challenges, we propose a principled and generic generation-replay framework to solve SDSL. The framework is able to accomplish: 1) robust pseudo-labeling in the generation step; 2) anti-forgetting adaption in the replay step. To achieve robust pseudo-labeling, we develop a novel pseudo-label classification model to leverage supervised knowledge of previously labeled data, unsupervised knowledge of new data, and, structure knowledge of invariant label semantics. To achieve adaptive anti-forgetting model replay, we propose to view the anti-forgetting adaptation task as a flat region search problem. We propose a novel minimax game-based replay objective function to solve the flat region search problem and develop an effective optimization solver. Finally, we present extensive experiments to demonstrate our framework can effectively address the task of anti-forgetting learning in drifted streams with short lookback.

Haoran Yin, Meng Ge, Yanjie Fu et al.

Recent neural network based Direction of Arrival (DoA) estimation algorithms have performed well on unknown number of sound sources scenarios. These algorithms are usually achieved by mapping the multi-channel audio input to the single output (i.e. overall spatial pseudo-spectrum (SPS) of all sources), that is called MISO. However, such MISO algorithms strongly depend on empirical threshold setting and the angle assumption that the angles between the sound sources are greater than a fixed angle. To address these limitations, we propose a novel multi-channel input and multiple outputs DoA network called MIMO-DoAnet. Unlike the general MISO algorithms, MIMO-DoAnet predicts the SPS coding of each sound source with the help of the informative spatial covariance matrix. By doing so, the threshold task of detecting the number of sound sources becomes an easier task of detecting whether there is a sound source in each output, and the serious interaction between sound sources disappears during inference stage. Experimental results show that MIMO-DoAnet achieves relative 18.6% and absolute 13.3%, relative 34.4% and absolute 20.2% F1 score improvement compared with the MISO baseline system in 3, 4 sources scenes. The results also demonstrate MIMO-DoAnet alleviates the threshold setting problem and solves the angle assumption problem effectively.

Dongjie Wang, Pengyang Wang, Yanjie Fu et al.

Mobile user profiling refers to the efforts of extracting users' characteristics from mobile activities. In order to capture the dynamic varying of user characteristics for generating effective user profiling, we propose an imitation-based mobile user profiling framework. Considering the objective of teaching an autonomous agent to imitate user mobility based on the user's profile, the user profile is the most accurate when the agent can perfectly mimic the user behavior patterns. The profiling framework is formulated into a reinforcement learning task, where an agent is a next-visit planner, an action is a POI that a user will visit next, and the state of the environment is a fused representation of a user and spatial entities. An event in which a user visits a POI will construct a new state, which helps the agent predict users' mobility more accurately. In the framework, we introduce a spatial Knowledge Graph (KG) to characterize the semantics of user visits over connected spatial entities. Additionally, we develop a mutual-updating strategy to quantify the state that evolves over time. Along these lines, we develop a reinforcement imitative graph learning framework for mobile user profiling. Finally, we conduct extensive experiments to demonstrate the superiority of our approach.

Yanjie Fu, Meng Ge, Haoran Yin et al.

Sound source localization aims to seek the direction of arrival (DOA) of all sound sources from the observed multi-channel audio. For the practical problem of unknown number of sources, existing localization algorithms attempt to predict a likelihood-based coding (i.e., spatial spectrum) and employ a pre-determined threshold to detect the source number and corresponding DOA value. However, these threshold-based algorithms are not stable since they are limited by the careful choice of threshold. To address this problem, we propose an iterative sound source localization approach called ISSL, which can iteratively extract each source's DOA without threshold until the termination criterion is met. Unlike threshold-based algorithms, ISSL designs an active source detector network based on binary classifier to accept residual spatial spectrum and decide whether to stop the iteration. By doing so, our ISSL can deal with an arbitrary number of sources, even more than the number of sources seen during the training stage. The experimental results show that our ISSL achieves significant performance improvements in both DOA estimation and source number detection compared with the existing threshold-based algorithms.

Dongjie Wang, Kunpeng Liu, Yanyong Huang et al.

Traditional urban planning demands urban experts to spend considerable time and effort producing an optimal urban plan under many architectural constraints. The remarkable imaginative ability of deep generative learning provides hope for renovating urban planning. While automated urban planners have been examined, they are constrained because of the following: 1) neglecting human requirements in urban planning; 2) omitting spatial hierarchies in urban planning, and 3) lacking numerous urban plan data samples. To overcome these limitations, we propose a novel, deep, human-instructed urban planner. In the preliminary work, we formulate it into an encoder-decoder paradigm. The encoder is to learn the information distribution of surrounding contexts, human instructions, and land-use configuration. The decoder is to reconstruct the land-use configuration and the associated urban functional zones. The reconstruction procedure will capture the spatial hierarchies between functional zones and spatial grids. Meanwhile, we introduce a variational Gaussian mechanism to mitigate the data sparsity issue. Even though early work has led to good results, the performance of generation is still unstable because the way spatial hierarchies are captured may lead to unclear optimization directions. In this journal version, we propose a cascading deep generative framework based on generative adversarial networks (GANs) to solve this problem, inspired by the workflow of urban experts. In particular, the purpose of the first GAN is to build urban functional zones based on information from human instructions and surrounding contexts. The second GAN will produce the land-use configuration based on the functional zones that have been constructed. Additionally, we provide a conditioning augmentation module to augment data samples. Finally, we conduct extensive experiments to validate the efficacy of our work.

Wei Fan, Kunpeng Liu, Hao Liu et al.

Feature selection and instance selection are two important techniques of data processing. However, such selections have mostly been studied separately, while existing work towards the joint selection conducts feature/instance selection coarsely; thus neglecting the latent fine-grained interaction between feature space and instance space. To address this challenge, we propose a reinforcement learning solution to accomplish the joint selection task and simultaneously capture the interaction between the selection of each feature and each instance. In particular, a sequential-scanning mechanism is designed as action strategy of agents, and a collaborative-changing environment is used to enhance agent collaboration. In addition, an interactive paradigm introduces prior selection knowledge to help agents for more efficient exploration. Finally, extensive experiments on real-world datasets have demonstrated improved performances.

Meng Xiao, Ziyue Qiao, Yanjie Fu et al.

The peer merit review of research proposals has been the major mechanism to decide grant awards. Nowadays, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign proposals to appropriate reviewers. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposals. Existing systems mainly collect topic labels manually reported by discipline investigators. However, such human-reported labels can be non-accurate and incomplete. What role can AI play in developing a fair and precise proposal review system? In this evidential study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). We first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs to learn representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

Meng Xiao, Dongjie Wang, Min Wu et al.

Feature transformation aims to extract a good representation (feature) space by mathematically transforming existing features. It is crucial to address the curse of dimensionality, enhance model generalization, overcome data sparsity, and expand the availability of classic models. Current research focuses on domain knowledge-based feature engineering or learning latent representations; nevertheless, these methods are not entirely automated and cannot produce a traceable and optimal representation space. When rebuilding a feature space for a machine learning task, can these limitations be addressed concurrently? In this extension study, we present a self-optimizing framework for feature transformation. To achieve a better performance, we improved the preliminary work by (1) obtaining an advanced state representation for enabling reinforced agents to comprehend the current feature set better; and (2) resolving Q-value overestimation in reinforced agents for learning unbiased and effective policies. Finally, to make experiments more convincing than the preliminary work, we conclude by adding the outlier detection task with five datasets, evaluating various state representation approaches, and comparing different training strategies. Extensive experiments and case studies show that our work is more effective and superior.

Meng Xiao, Min Wu, Ziyue Qiao et al.

Funding agencies are largely relied on a topic matching between domain experts and research proposals to assign proposal reviewers. As proposals are increasingly interdisciplinary, it is challenging to profile the interdisciplinary nature of a proposal, and, thereafter, find expert reviewers with an appropriate set of expertise. An essential step in solving this challenge is to accurately model and classify the interdisciplinary labels of a proposal. Existing methodological and application-related literature, such as textual classification and proposal classification, are insufficient in jointly addressing the three key unique issues introduced by interdisciplinary proposal data: 1) the hierarchical structure of discipline labels of a proposal from coarse-grain to fine-grain, e.g., from information science to AI to fundamentals of AI. 2) the heterogeneous semantics of various main textual parts that play different roles in a proposal; 3) the number of proposals is imbalanced between non-interdisciplinary and interdisciplinary research. Can we simultaneously address the three issues in understanding the proposal's interdisciplinary nature? In response to this question, we propose a hierarchical mixup multiple-label classification framework, which we called H-MixUp. H-MixUp leverages a transformer-based semantic information extractor and a GCN-based interdisciplinary knowledge extractor for the first and second issues. H-MixUp develops a fused training method of Wold-level MixUp, Word-level CutMix, Manifold MixUp, and Document-level MixUp to address the third issue.

Wangyang Ying, Dongjie Wang, Xuanming Hu et al.

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive experiments and statistical analyses. These approaches are time-consuming, demand extensive domain expertise, and are constrained by the complexity of biological systems. These limitations motivate us to ask: Can we automatically identify the effective biomarker subset without substantial human efforts? Inspired by the success of generative AI, we think that the intricate knowledge of biomarker identification can be compressed into a continuous embedding space, thus enhancing the search for better biomarkers. Thus, we propose a new biomarker identification framework with two important modules:1) training data preparation and 2) embedding-optimization-generation. The first module uses a multi-agent system to automatically collect pairs of biomarker subsets and their corresponding prediction accuracy as training data. These data establish a strong knowledge base for biomarker identification. The second module employs an encoder-evaluator-decoder learning paradigm to compress the knowledge of the collected data into a continuous space. Then, it utilizes gradient-based search techniques and autoregressive-based reconstruction to efficiently identify the optimal subset of biomarkers. Finally, we conduct extensive experiments on three real-world datasets to show the efficiency, robustness, and effectiveness of our method.

Ehtesamul Azim, Dongjie Wang, Yanjie Fu

Our work focuses on anomaly detection in cyber-physical systems. Prior literature has three limitations: (1) Failing to capture long-delayed patterns in system anomalies; (2) Ignoring dynamic changes in sensor connections; (3) The curse of high-dimensional data samples. These limit the detection performance and usefulness of existing works. To address them, we propose a new approach called deep graph stream support vector data description (SVDD) for anomaly detection. Specifically, we first use a transformer to preserve both short and long temporal patterns of monitoring data in temporal embeddings. Then we cluster these embeddings according to sensor type and utilize them to estimate the change in connectivity between various sensors to construct a new weighted graph. The temporal embeddings are mapped to the new graph as node attributes to form weighted attributed graph. We input the graph into a variational graph auto-encoder model to learn final spatio-temporal representation. Finally, we learn a hypersphere that encompasses normal embeddings and predict the system status by calculating the distances between the hypersphere and data samples. Extensive experiments validate the superiority of our model, which improves F1-score by 35.87%, AUC by 19.32%, while being 32 times faster than the best baseline at training and inference.

Yanjie Fu, Haoran Yin, Meng Ge et al.

Recently, many deep learning based beamformers have been proposed for multi-channel speech separation. Nevertheless, most of them rely on extra cues known in advance, such as speaker feature, face image or directional information. In this paper, we propose an end-to-end beamforming network for direction guided speech separation given merely the mixture signal, namely MIMO-DBnet. Specifically, we design a multi-channel input and multiple outputs architecture to predict the direction-of-arrival based embeddings and beamforming weights for each source. The precisely estimated directional embedding provides quite effective spatial discrimination guidance for the neural beamformer to offset the effect of phase wrapping, thus allowing more accurate reconstruction of two sources' speech signals. Experiments show that our proposed MIMO-DBnet not only achieves a comprehensive decent improvement compared to baseline systems, but also maintain the performance on high frequency bands when phase wrapping occurs.

Xuanming Hu, Dongjie Wang, Wangyang Ying et al.

Polymer property performance prediction aims to forecast specific features or attributes of polymers, which has become an efficient approach to measuring their performance. However, existing machine learning models face challenges in effectively learning polymer representations due to low-quality polymer datasets, which consequently impact their overall performance. This study focuses on improving polymer property performance prediction tasks by reconstructing an optimal and explainable descriptor representation space. Nevertheless, prior research such as feature engineering and representation learning can only partially solve this task since they are either labor-incentive or unexplainable. This raises two issues: 1) automatic transformation and 2) explainable enhancement. To tackle these issues, we propose our unique Traceable Group-wise Reinforcement Generation Perspective. Specifically, we redefine the reconstruction of the representation space into an interactive process, combining nested generation and selection. Generation creates meaningful descriptors, and selection eliminates redundancies to control descriptor sizes. Our approach employs cascading reinforcement learning with three Markov Decision Processes, automating descriptor and operation selection, and descriptor crossing. We utilize a group-wise generation strategy to explore and enhance reward signals for cascading agents. Ultimately, we conduct experiments to indicate the effectiveness of our proposed framework.

Ehtesamul Azim, Dongjie Wang, Kunpeng Liu et al.

Creating an effective representation space is crucial for mitigating the curse of dimensionality, enhancing model generalization, addressing data sparsity, and leveraging classical models more effectively. Recent advancements in automated feature engineering (AutoFE) have made significant progress in addressing various challenges associated with representation learning, issues such as heavy reliance on intensive labor and empirical experiences, lack of explainable explicitness, and inflexible feature space reconstruction embedded into downstream tasks. However, these approaches are constrained by: 1) generation of potentially unintelligible and illogical reconstructed feature spaces, stemming from the neglect of expert-level cognitive processes; 2) lack of systematic exploration, which subsequently results in slower model convergence for identification of optimal feature space. To address these, we introduce an interaction-aware reinforced generation perspective. We redefine feature space reconstruction as a nested process of creating meaningful features and controlling feature set size through selection. We develop a hierarchical reinforcement learning structure with cascading Markov Decision Processes to automate feature and operation selection, as well as feature crossing. By incorporating statistical measures, we reward agents based on the interaction strength between selected features, resulting in intelligent and efficient exploration of the feature space that emulates human decision-making. Extensive experiments are conducted to validate our proposed approach.

Meng Xiao, Min Wu, Ziyue Qiao et al.

The objective of topic inference in research proposals aims to obtain the most suitable disciplinary division from the discipline system defined by a funding agency. The agency will subsequently find appropriate peer review experts from their database based on this division. Automated topic inference can reduce human errors caused by manual topic filling, bridge the knowledge gap between funding agencies and project applicants, and improve system efficiency. Existing methods focus on modeling this as a hierarchical multi-label classification problem, using generative models to iteratively infer the most appropriate topic information. However, these methods overlook the gap in scale between interdisciplinary research proposals and non-interdisciplinary ones, leading to an unjust phenomenon where the automated inference system categorizes interdisciplinary proposals as non-interdisciplinary, causing unfairness during the expert assignment. How can we address this data imbalance issue under a complex discipline system and hence resolve this unfairness? In this paper, we implement a topic label inference system based on a Transformer encoder-decoder architecture. Furthermore, we utilize interpolation techniques to create a series of pseudo-interdisciplinary proposals from non-interdisciplinary ones during training based on non-parametric indicators such as cross-topic probabilities and topic occurrence probabilities. This approach aims to reduce the bias of the system during model training. Finally, we conduct extensive experiments on a real-world dataset to verify the effectiveness of the proposed method. The experimental results demonstrate that our training strategy can significantly mitigate the unfairness generated in the topic inference task.

Xuanming Hu, Wei Fan, Dongjie Wang et al.

Urban planning, which aims to design feasible land-use configurations for target areas, has become increasingly essential due to the high-speed urbanization process in the modern era. However, the traditional urban planning conducted by human designers can be a complex and onerous task. Thanks to the advancement of deep learning algorithms, researchers have started to develop automated planning techniques. While these models have exhibited promising results, they still grapple with a couple of unresolved limitations: 1) Ignoring the relationship between urban functional zones and configurations and failing to capture the relationship among different functional zones. 2) Less interpretable and stable generation process. To overcome these limitations, we propose a novel generative framework based on normalizing flows, namely Dual-stage Urban Flows (DSUF) framework. Specifically, the first stage is to utilize zone-level urban planning flows to generate urban functional zones based on given surrounding contexts and human guidance. Then we employ an Information Fusion Module to capture the relationship among functional zones and fuse the information of different aspects. The second stage is to use configuration-level urban planning flows to obtain land-use configurations derived from fused information. We design several experiments to indicate that our framework can outperform compared to other generative models for the urban planning task.

Dongkun Wang, Wei Fan, Pengyang Wang et al.

Urban traffic speed prediction aims to estimate the future traffic speed for improving the urban transportation services. Enormous efforts have been made on exploiting spatial correlations and temporal dependencies of traffic speed evolving patterns by leveraging explicit spatial relations (geographical proximity) through pre-defined geographical structures ({\it e.g.}, region grids or road networks). While achieving promising results, current traffic speed prediction methods still suffer from ignoring implicit spatial correlations (interactions), which cannot be captured by grid/graph convolutions. To tackle the challenge, we propose a generic model for enabling the current traffic speed prediction methods to preserve implicit spatial correlations. Specifically, we first develop a Dual-Transformer architecture, including a Spatial Transformer and a Temporal Transformer. The Spatial Transformer automatically learns the implicit spatial correlations across the road segments beyond the boundary of geographical structures, while the Temporal Transformer aims to capture the dynamic changing patterns of the implicit spatial correlations. Then, to further integrate both explicit and implicit spatial correlations, we propose a distillation-style learning framework, in which the existing traffic speed prediction methods are considered as the teacher model, and the proposed Dual-Transformer architectures are considered as the student model. The extensive experiments over three real-world datasets indicate significant improvements of our proposed framework over the existing methods.

Yanping Wu, Yanyong Huang, Zhengzhang Chen et al.

Iterative feature space optimization involves systematically evaluating and adjusting the feature space to improve downstream task performance. However, existing works suffer from three key limitations:1) overlooking differences among data samples leads to evaluation bias; 2) tailoring feature spaces to specific machine learning models results in overfitting and poor generalization; 3) requiring the evaluator to be retrained from scratch during each optimization iteration significantly reduces the overall efficiency of the optimization process. To bridge these gaps, we propose a gEneralized Adaptive feature Space Evaluator (EASE) to efficiently produce optimal and generalized feature spaces. This framework consists of two key components: Feature-Sample Subspace Generator and Contextual Attention Evaluator. The first component aims to decouple the information distribution within the feature space to mitigate evaluation bias. To achieve this, we first identify features most relevant to prediction tasks and samples most challenging for evaluation based on feedback from the subsequent evaluator. This decoupling strategy makes the evaluator consistently target the most challenging aspects of the feature space. The second component intends to incrementally capture evolving patterns of the feature space for efficient evaluation. We propose a weighted-sharing multi-head attention mechanism to encode key characteristics of the feature space into an embedding vector for evaluation. Moreover, the evaluator is updated incrementally, retaining prior evaluation knowledge while incorporating new insights, as consecutive feature spaces during the optimization process share partial information. Extensive experiments on fourteen real-world datasets demonstrate the effectiveness of the proposed framework. Our code and data are publicly available.

Sixun Dong, Wei Fan, Teresa Wu et al.

Time series forecasting traditionally relies on unimodal numerical inputs, which often struggle to capture high-level semantic patterns due to their dense and unstructured nature. While recent approaches have explored representing time series as text using large language models (LLMs), these methods remain limited by the discrete nature of token sequences and lack the perceptual intuition humans typically apply, such as interpreting visual patterns. In this paper, we propose a multimodal contrastive learning framework that transforms raw time series into structured visual and textual perspectives. Rather than using natural language or real-world images, we construct both modalities directly from numerical sequences. We then align these views in a shared semantic space via contrastive learning, enabling the model to capture richer and more complementary representations. Furthermore, we introduce a variate selection module that leverages the aligned representations to identify the most informative variables for multivariate forecasting. Extensive experiments on fifteen short-term and six long-term forecasting benchmarks demonstrate that our approach consistently outperforms strong unimodal and cross-modal baselines, highlighting the effectiveness of multimodal alignment in enhancing time series forecasting. Code is available at: https://github.com/Ironieser/TimesCLIP.

Zaitian Wang, Pengfei Wang, Kunpeng Liu et al.

Data augmentation is a series of techniques that generate high-quality artificial data by manipulating existing data samples. By leveraging data augmentation techniques, AI models can achieve significantly improved applicability in tasks involving scarce or imbalanced datasets, thereby substantially enhancing AI models' generalization capabilities. Existing literature surveys only focus on a certain type of specific modality data and categorize these methods from modality-specific and operation-centric perspectives, which lacks a consistent summary of data augmentation methods across multiple modalities and limits the comprehension of how existing data samples serve the data augmentation process. To bridge this gap, this survey proposes a more enlightening taxonomy that encompasses data augmentation techniques for different common data modalities by investigating how to take advantage of the intrinsic relationship between and within instances. Additionally, it categorizes data augmentation methods across five data modalities through a unified inductive approach.

Wangyang Ying, Dongjie Wang, Haifeng Chen et al.

Feature selection aims to identify the most pattern-discriminative feature subset. In prior literature, filter (e.g., backward elimination) and embedded (e.g., Lasso) methods have hyperparameters (e.g., top-K, score thresholding) and tie to specific models, thus, hard to generalize; wrapper methods search a feature subset in a huge discrete space and is computationally costly. To transform the way of feature selection, we regard a selected feature subset as a selection decision token sequence and reformulate feature selection as a deep sequential generative learning task that distills feature knowledge and generates decision sequences. Our method includes three steps: (1) We develop a deep variational transformer model over a joint of sequential reconstruction, variational, and performance evaluator losses. Our model can distill feature selection knowledge and learn a continuous embedding space to map feature selection decision sequences into embedding vectors associated with utility scores. (2) We leverage the trained feature subset utility evaluator as a gradient provider to guide the identification of the optimal feature subset embedding;(3) We decode the optimal feature subset embedding to autoregressively generate the best feature selection decision sequence with autostop. Extensive experimental results show this generative perspective is effective and generic, without large discrete search space and expert-specific hyperparameters.

Xinyuan Wang, Liang Wu, Liangjie Hong et al.

Graph recommendation methods, representing a connected interaction perspective, reformulate user-item interactions as graphs to leverage graph structure and topology to recommend and have proved practical effectiveness at scale. Large language models, representing a textual generative perspective, excel at modeling user languages, understanding behavioral contexts, capturing user-item semantic relationships, analyzing textual sentiments, and generating coherent and contextually relevant texts as recommendations. However, there is a gap between the connected graph perspective and the text generation perspective as the task formulations are different. A research question arises: how can we effectively integrate the two perspectives for more personalized recsys? To fill this gap, we propose to incorporate graph-edge information into LLMs via prompt and attention innovations. We reformulate recommendations as a probabilistic generative problem using prompts. We develop a framework to incorporate graph edge information from the prompt and attention mechanisms for graph-structured LLM recommendations. We develop a new prompt design that brings in both first-order and second-order graph relationships; we devise an improved LLM attention mechanism to embed direct the spatial and connectivity information of edges. Our evaluation of real-world datasets demonstrates the framework's ability to understand connectivity information in graph data and to improve the relevance and quality of recommendation results.

Xinyuan Wang, Yanchi Liu, Wei Cheng et al.

Large Language Models (LLMs) exhibit potential artificial generic intelligence recently, however, their usage is costly with high response latency. Given mixed LLMs with their own strengths and weaknesses, LLM routing aims to identify the most suitable model for each query in the stream to maximize response quality and minimize cost and latency. However, the challenges involve: (1) dynamic trade-offs among quality, cost, and latency; (2) enabling continual learning in deployed systems; and (3) navigating a varying (e.g., new LLM addition or old LLM removal) set of LLM candidates over time. To bridge these gaps, we develop MixLLM, a dynamic contextual-bandit-based routing system for query-LLM assignment. Specifically, we first leverage query tags to enhance query embeddings for the routing task. Next, we design lightweight prediction models to estimate the response qualities and costs of queries over LLMs. We then devise a meta-decision maker to choose the query-LLM assignments to best tradeoff response quality, cost, and latency. Finally, the system benefits from continual training, allowing it to adapt to evolving queries and user feedback over time. Our extensive experiments show that MixLLM achieves the best trade-offs in response quality, cost, and latency (97.25% of GPT-4's quality at 24.18% of the cost under the time constraint).

Nanxu Gong, Wangyang Ying, Dongjie Wang et al.

Feature selection aims to identify the optimal feature subset for enhancing downstream models. Effective feature selection can remove redundant features, save computational resources, accelerate the model learning process, and improve the model overall performance. However, existing works are often time-intensive to identify the effective feature subset within high-dimensional feature spaces. Meanwhile, these methods mainly utilize a single downstream task performance as the selection criterion, leading to the selected subsets that are not only redundant but also lack generalizability. To bridge these gaps, we reformulate feature selection through a neuro-symbolic lens and introduce a novel generative framework aimed at identifying short and effective feature subsets. More specifically, we found that feature ID tokens of the selected subset can be formulated as symbols to reflect the intricate correlations among features. Thus, in this framework, we first create a data collector to automatically collect numerous feature selection samples consisting of feature ID tokens, model performance, and the measurement of feature subset redundancy. Building on the collected data, an encoder-decoder-evaluator learning paradigm is developed to preserve the intelligence of feature selection into a continuous embedding space for efficient search. Within the learned embedding space, we leverage a multi-gradient search algorithm to find more robust and generalized embeddings with the objective of improving model performance and reducing feature subset redundancy. These embeddings are then utilized to reconstruct the feature ID tokens for executing the final feature selection. Ultimately, comprehensive experiments and case studies are conducted to validate the effectiveness of the proposed framework.

Xinyuan Wang, Dongjie Wang, Wangyang Ying et al.

Feature selection prepares the AI-readiness of data by eliminating redundant features. Prior research falls into two primary categories: i) Supervised Feature Selection, which identifies the optimal feature subset based on their relevance to the target variable; ii) Unsupervised Feature Selection, which reduces the feature space dimensionality by capturing the essential information within the feature set instead of using target variable. However, SFS approaches suffer from time-consuming processes and limited generalizability due to the dependence on the target variable and downstream ML tasks. UFS methods are constrained by the deducted feature space is latent and untraceable. To address these challenges, we introduce an innovative framework for feature selection, which is guided by knockoff features and optimized through reinforcement learning, to identify the optimal and effective feature subset. In detail, our method involves generating "knockoff" features that replicate the distribution and characteristics of the original features but are independent of the target variable. Each feature is then assigned a pseudo label based on its correlation with all the knockoff features, serving as a novel metric for feature evaluation. Our approach utilizes these pseudo labels to guide the feature selection process in 3 novel ways, optimized by a single reinforced agent: 1). A deep Q-network, pre-trained with the original features and their corresponding pseudo labels, is employed to improve the efficacy of the exploration process in feature selection. 2). We introduce unsupervised rewards to evaluate the feature subset quality based on the pseudo labels and the feature space reconstruction loss to reduce dependencies on the target variable. 3). A new ε-greedy strategy is used, incorporating insights from the pseudo labels to make the feature selection process more effective.

Dongjie Wang, Yanyong Huang, Wangyang Ying et al.

Tabular data is one of the most widely used formats across industries, driving critical applications in areas such as finance, healthcare, and marketing. In the era of data-centric AI, improving data quality and representation has become essential for enhancing model performance, particularly in applications centered around tabular data. This survey examines the key aspects of tabular data-centric AI, emphasizing feature selection and feature generation as essential techniques for data space refinement. We provide a systematic review of feature selection methods, which identify and retain the most relevant data attributes, and feature generation approaches, which create new features to simplify the capture of complex data patterns. This survey offers a comprehensive overview of current methodologies through an analysis of recent advancements, practical applications, and the strengths and limitations of these techniques. Finally, we outline open challenges and suggest future perspectives to inspire continued innovation in this field.

Wangyang Ying, Haoyue Bai, Kunpeng Liu et al.

Feature space is an environment where data points are vectorized to represent the original dataset. Reconstructing a good feature space is essential to augment the AI power of data, improve model generalization, and increase the availability of downstream ML models. Existing literature, such as feature transformation and feature selection, is labor-intensive (e.g., heavy reliance on empirical experience) and mostly designed for tabular data. Moreover, these methods regard data samples as independent, which ignores the unique topological structure when applied to graph data, thus resulting in a suboptimal reconstruction feature space. Can we consider the topological information to automatically reconstruct feature space for graph data without heavy experiential knowledge? To fill this gap, we leverage topology-aware reinforcement learning to automate and optimize feature space reconstruction for graph data. Our approach combines the extraction of core subgraphs to capture essential structural information with a graph neural network (GNN) to encode topological features and reduce computing complexity. Then we introduce three reinforcement agents within a hierarchical structure to systematically generate meaningful features through an iterative process, effectively reconstructing the feature space. This framework provides a principled solution for attributed graph feature space reconstruction. The extensive experiments demonstrate the effectiveness and efficiency of including topological awareness.

Wangyang Ying, Cong Wei, Nanxu Gong et al.

Tabular data is one of the most widely used data formats across various domains such as bioinformatics, healthcare, and marketing. As artificial intelligence moves towards a data-centric perspective, improving data quality is essential for enhancing model performance in tabular data-driven applications. This survey focuses on data-driven tabular data optimization, specifically exploring reinforcement learning (RL) and generative approaches for feature selection and feature generation as fundamental techniques for refining data spaces. Feature selection aims to identify and retain the most informative attributes, while feature generation constructs new features to better capture complex data patterns. We systematically review existing generative methods for tabular data engineering, analyzing their latest advancements, real-world applications, and respective strengths and limitations. This survey emphasizes how RL-based and generative techniques contribute to the automation and intelligence of feature engineering. Finally, we summarize the existing challenges and discuss future research directions, aiming to provide insights that drive continued innovation in this field.

Nanxu Gong, Xinyuan Wang, Wangyang Ying et al.

Feature transformation involves generating a new set of features from the original dataset to enhance the data's utility. In certain domains like material performance screening, dimensionality is large and collecting labels is expensive and lengthy. It highly necessitates transforming feature spaces efficiently and without supervision to enhance data readiness and AI utility. However, existing methods fall short in efficient navigation of a vast space of feature combinations, and are mostly designed for supervised settings. To fill this gap, our unique perspective is to leverage a generator-critic duet-play teaming framework using LLM agents and in-context learning to derive pseudo-supervision from unsupervised data. The framework consists of three interconnected steps: (1) Critic agent diagnoses data to generate actionable advice, (2) Generator agent produces tokenized feature transformations guided by the critic's advice, and (3) Iterative refinement ensures continuous improvement through feedback between agents. The generator-critic framework can be generalized to human-agent collaborative generation, by replacing the critic agent with human experts. Extensive experiments demonstrate that the proposed framework outperforms even supervised baselines in feature transformation efficiency, robustness, and practical applicability across diverse datasets.

Nanxu Gong, Sixun Dong, Haoyue Bai et al.

As a widely-used and practical tool, feature engineering transforms raw data into discriminative features to advance AI model performance. However, existing methods usually apply feature selection and generation separately, failing to strive a balance between reducing redundancy and adding meaningful dimensions. To fill this gap, we propose an agentic feature augmentation concept, where the unification of feature generation and selection is modeled as agentic teaming and planning. Specifically, we develop a Multi-Agent System with Long and Short-Term Memory (MAGS), comprising a selector agent to eliminate redundant features, a generator agent to produce informative new dimensions, and a router agent that strategically coordinates their actions. We leverage in-context learning with short-term memory for immediate feedback refinement and long-term memory for globally optimal guidance. Additionally, we employ offline Proximal Policy Optimization (PPO) reinforcement fine-tuning to train the router agent for effective decision-making to navigate a vast discrete feature space. Extensive experiments demonstrate that this unified agentic framework consistently achieves superior task performance by intelligently orchestrating feature selection and generation.

Nanxu Gong, Zijun Li, Sixun Dong et al.

Feature Transformation (FT) crafts new features from original ones via mathematical operations to enhance dataset expressiveness for downstream models. However, existing FT methods exhibit critical limitations: discrete search struggles with enormous combinatorial spaces, impeding practical use; and continuous search, being highly sensitive to initialization and step sizes, often becomes trapped in local optima, restricting global exploration. To overcome these limitations, DIFFT redefines FT as a reward-guided generative task. It first learns a compact and expressive latent space for feature sets using a Variational Auto-Encoder (VAE). A Latent Diffusion Model (LDM) then navigates this space to generate high-quality feature embeddings, its trajectory guided by a performance evaluator towards task-specific optima. This synthesis of global distribution learning (from LDM) and targeted optimization (reward guidance) produces potent embeddings, which a novel semi-autoregressive decoder efficiently converts into structured, discrete features, preserving intra-feature dependencies while allowing parallel inter-feature generation. Extensive experiments on 14 benchmark datasets show DIFFT consistently outperforms state-of-the-art baselines in predictive accuracy and robustness, with significantly lower training and inference times.

Xinyuan Wang, Dongjie Wang, Wangyang Ying et al.

Reasoning is a key component of language understanding in Large Language Models. While Chain-of-Thought prompting enhances performance via explicit intermediate steps, it suffers from sufficient token overhead and a fixed reasoning trajectory, preventing step-wise refinement. Recent advances in latent reasoning address these limitations by refining internal reasoning processes directly in the model's latent space, without producing explicit outputs. However, a key challenge remains: how to effectively update reasoning embeddings during post-training to guide the model toward more accurate solutions. To overcome this challenge, we propose a lightweight post-training framework that refines latent reasoning trajectories using two novel strategies: 1) Contrastive reasoning feedback, which compares reasoning embeddings against strong and weak baselines to infer effective update directions via embedding enhancement; 2) Residual embedding refinement, which stabilizes updates by progressively integrating current and historical gradients, enabling fast yet controlled convergence. Extensive experiments and case studies are conducted on five reasoning benchmarks to demonstrate the effectiveness of the proposed framework. Notably, a 5\% accuracy gain on MathQA without additional training.

Xinyuan Wang, Haoyue Bai, Nanxu Gong et al.

Feature transformation enhances data representation by deriving new features from the original data. Generative AI offers potential for this task, but faces challenges in stable generation (consistent outputs) and valid generation (error-free sequences). Existing methods--traditional MLs' low validity and LLMs' instability--fail to resolve both. We find that LLMs ensure valid syntax, while ML's gradient-steered search stabilizes performance. To bridge this gap, we propose a teaming framework combining LLMs' symbolic generation with ML's gradient optimization. This framework includes four steps: (1) golden examples generation, aiming to prepare high-quality samples with the ground knowledge of the teacher LLM; (2) feature transformation sequence embedding and search, intending to uncover potentially superior embeddings within the latent space; (3) student LLM feature transformation, aiming to distill knowledge from the teacher LLM; (4) LLM-ML decoder teaming, dedicating to combine ML and the student LLM probabilities for valid and stable generation. The experiments on various datasets show that the teaming policy can achieve 5\% improvement in downstream performance while reducing nearly half of the error cases. The results also demonstrate the efficiency and robustness of the teaming policy. Additionally, we also have exciting findings on LLMs' capacity to understand the original data.

Tianqi He, Xiaohan Huang, Yi Du et al.

Feature Transformation is crucial for classic machine learning that aims to generate feature combinations to enhance the performance of downstream tasks from a data-centric perspective. Current methodologies, such as manual expert-driven processes, iterative-feedback techniques, and exploration-generative tactics, have shown promise in automating such data engineering workflow by minimizing human involvement. However, three challenges remain in those frameworks: (1) It predominantly depends on downstream task performance metrics, as assessment is time-consuming, especially for large datasets. (2) The diversity of feature combinations will hardly be guaranteed after random exploration ends. (3) Rare significant transformations lead to sparse valuable feedback that hinders the learning processes or leads to less effective results. In response to these challenges, we introduce FastFT, an innovative framework that leverages a trio of advanced strategies.We first decouple the feature transformation evaluation from the outcomes of the generated datasets via the performance predictor. To address the issue of reward sparsity, we developed a method to evaluate the novelty of generated transformation sequences. Incorporating this novelty into the reward function accelerates the model's exploration of effective transformations, thereby improving the search productivity. Additionally, we combine novelty and performance to create a prioritized memory buffer, ensuring that essential experiences are effectively revisited during exploration. Our extensive experimental evaluations validate the performance, efficiency, and traceability of our proposed framework, showcasing its superiority in handling complex feature transformation tasks.