Zhifeng Hao

Zijian Li, Zunhong Xu, Ruichu Cai et al.

Although graph neural networks have achieved great success in the task of molecular property prediction in recent years, their generalization ability under out-of-distribution (OOD) settings is still under-explored. Different from existing methods that learn discriminative representations for prediction, we propose a generative model with semantic-components identifiability, named SCI. We demonstrate that the latent variables in this generative model can be explicitly identified into semantic-relevant (SR) and semantic-irrelevant (SI) components, which contributes to better OOD generalization by involving minimal change properties of causal mechanisms. Specifically, we first formulate the data generation process from the atom level to the molecular level, where the latent space is split into SI substructures, SR substructures, and SR atom variables. Sequentially, to reduce misidentification, we restrict the minimal changes of the SR atom variables and add a semantic latent substructure regularization to mitigate the variance of the SR substructure under augmented domain changes. Under mild assumptions, we prove the block-wise identifiability of the SR substructure and the comment-wise identifiability of SR atom variables. Experimental studies achieve state-of-the-art performance and show general improvement on 21 datasets in 3 mainstream benchmarks. Moreover, the visualization results of the proposed SCI method provide insightful case studies and explanations for the prediction results. The code is available at: https://github.com/DMIRLAB-Group/SCI.

Zijian Li, Ruichu Cai, Guangyi Chen et al.

Multi-source domain adaptation (MSDA) methods aim to transfer knowledge from multiple labeled source domains to an unlabeled target domain. Although current methods achieve target joint distribution identifiability by enforcing minimal changes across domains, they often necessitate stringent conditions, such as an adequate number of domains, monotonic transformation of latent variables, and invariant label distributions. These requirements are challenging to satisfy in real-world applications. To mitigate the need for these strict assumptions, we propose a subspace identification theory that guarantees the disentanglement of domain-invariant and domain-specific variables under less restrictive constraints regarding domain numbers and transformation properties, thereby facilitating domain adaptation by minimizing the impact of domain shifts on invariant variables. Based on this theory, we develop a Subspace Identification Guarantee (SIG) model that leverages variational inference. Furthermore, the SIG model incorporates class-aware conditional alignment to accommodate target shifts where label distributions change with the domains. Experimental results demonstrate that our SIG model outperforms existing MSDA techniques on various benchmark datasets, highlighting its effectiveness in real-world applications.

Zhifeng Hao, Qibin Song, Ruichu Cai et al.

Recent divide-and-conquer reasoning approaches, particularly those based on Chain-of-Thought (CoT), have substantially improved the Text-to-SQL capabilities of Large Language Models (LLMs). However, when applied to complex enterprise databases, such methods struggle to maintain coherent reasoning due to limited context capacity, unreliable schema linking, and weak grounding in database semantics. To overcome these issues, we introduce DSR-SQL, a \textbf{D}ual-\textbf{S}tate \textbf{R}easoning framework that models Text-to-SQL as an interaction between an adaptive context state and a progressive generation state. The first constructs a compact, semantically faithful environment by refining large schemas and selecting relevant structures, while the second formalizes SQL synthesis as feedback-guided state transitions, enabling the model to self-correct and align with user intent. Without any post-training or in-context examples, DSR-SQL achieves competitive performance, reaching 35.28\% execution accuracy on Spider 2.0-Snow and 68.32\% on BIRD development set. Our implementation will be open-sourced at: https://github.com/DMIRLAB-Group/DSR-SQL.

Yingguang Yang, Qi Wu, Buyun He et al.

Recent advancements in social bot detection have been driven by the adoption of Graph Neural Networks. The social graph, constructed from social network interactions, contains benign and bot accounts that influence each other. However, previous graph-based detection methods that follow the transductive message-passing paradigm may not fully utilize hidden graph information and are vulnerable to adversarial bot behavior. The indiscriminate message passing between nodes from different categories and communities results in excessively homogeneous node representations, ultimately reducing the effectiveness of social bot detectors. In this paper, we propose SEBot, a novel multi-view graph-based contrastive learning-enabled social bot detector. In particular, we use structural entropy as an uncertainty metric to optimize the entire graph's structure and subgraph-level granularity, revealing the implicitly existing hierarchical community structure. And we design an encoder to enable message passing beyond the homophily assumption, enhancing robustness to adversarial behaviors of social bots. Finally, we employ multi-view contrastive learning to maximize mutual information between different views and enhance the detection performance through multi-task learning. Experimental results demonstrate that our approach significantly improves the performance of social bot detection compared with SOTA methods.

Qingwen Lin, Boyan Xu, Guimin Hu et al.

This paper introduces the Constrained Monte Carlo Tree Search (CMCTS) framework to enhance the mathematical reasoning capabilities of Large Language Models (LLM). By incorporating a constrained action space, Process Reward Model (PRM), and partial order rules, CMCTS effectively addresses the limitations of existing MCTS methods in terms of state space diversity and action selection rationality. Specifically, during the expansion phase, CMCTS restricts action sampling to a predefined constrained action set to increase candidate state diversity. In the simulation phase, it introduces partial order rules and PRM to optimize action selection and prevent unreasonable state transitions. Experimental results show that CMCTS performs outstandingly across multiple mathematical reasoning benchmarks. Under a zero-shot setting, a 7B-parameter model achieves an average accuracy of 83.4\%, surpassing the 72B baseline model by 4.8\%. Ablation studies demonstrate that each component of the framework is crucial for performance improvement, and their combined use fully leverages their respective strengths. Overall, the CMCTS framework provides an effective approach to enhancing LLM mathematical reasoning capabilities, supported by theoretical analysis, and offers novel insights for future reasoning tasks.

Wei Chen, Wanyang Gu, Linjun Peng et al.

Federated causal discovery aims to uncover the causal relationships between entities while protecting data privacy, which has significant importance and numerous applications in real-world scenarios. Existing federated causal structure learning methods primarily focus on horizontal federated settings. However, in practical situations, different clients may not necessarily contain data on the same variables. In a single client, the incomplete set of variables can easily lead to spurious causal relationships, thereby affecting the information transmitted to other clients. To address this issue, we comprehensively consider causal structure learning methods under both horizontal and vertical federated settings. We provide the identification theories and methods for learning causal structure in the horizontal and vertical federal setting via higher-order cumulants. Specifically, we first aggregate higher-order cumulant information from all participating clients to construct global cumulant estimates. These global estimates are then used for recursive source identification, ultimately yielding a global causal strength matrix. Our approach not only enables the reconstruction of causal graphs but also facilitates the estimation of causal strength coefficients. Our algorithm demonstrates superior performance in experiments conducted on both synthetic data and real-world data.

Ruichu Cai, Kaitao Zheng, Junxian Huang et al.

Time series imputation is one of the most challenge problems and has broad applications in various fields like health care and the Internet of Things. Existing methods mainly aim to model the temporally latent dependencies and the generation process from the observed time series data. In real-world scenarios, different types of missing mechanisms, like MAR (Missing At Random), and MNAR (Missing Not At Random) can occur in time series data. However, existing methods often overlook the difference among the aforementioned missing mechanisms and use a single model for time series imputation, which can easily lead to misleading results due to mechanism mismatching. In this paper, we propose a framework for time series imputation problem by exploring Different Missing Mechanisms (DMM in short) and tailoring solutions accordingly. Specifically, we first analyze the data generation processes with temporal latent states and missing cause variables for different mechanisms. Sequentially, we model these generation processes via variational inference and estimate prior distributions of latent variables via normalizing flow-based neural architecture. Furthermore, we establish identifiability results under the nonlinear independent component analysis framework to show that latent variables are identifiable. Experimental results show that our method surpasses existing time series imputation techniques across various datasets with different missing mechanisms, demonstrating its effectiveness in real-world applications.

Zeqin Yang, Weilin Chen, Ruichu Cai et al.

Long-term treatment effect estimation is a significant but challenging problem in many applications. Existing methods rely on ideal assumptions, such as no unobserved confounders or binary treatment, to estimate long-term average treatment effects. However, in numerous real-world applications, these assumptions could be violated, and average treatment effects are insufficient for personalized decision-making. In this paper, we address a more general problem of estimating long-term Heterogeneous Dose-Response Curve (HDRC) while accounting for unobserved confounders and continuous treatment. Specifically, to remove the unobserved confounders in the long-term observational data, we introduce an optimal transport weighting framework to align the long-term observational data to an auxiliary short-term experimental data. Furthermore, to accurately predict the heterogeneous effects of continuous treatment, we establish a generalization bound on counterfactual prediction error by leveraging the reweighted distribution induced by optimal transport. Finally, we develop a long-term HDRC estimator building upon the above theoretical foundations. Extensive experiments on synthetic and semi-synthetic datasets demonstrate the effectiveness of our approach.

Zhengming Chen, Ruichu Cai, Feng Xie et al.

Unobserved discrete data are ubiquitous in many scientific disciplines, and how to learn the causal structure of these latent variables is crucial for uncovering data patterns. Most studies focus on the linear latent variable model or impose strict constraints on latent structures, which fail to address cases in discrete data involving non-linear relationships or complex latent structures. To achieve this, we explore a tensor rank condition on contingency tables for an observed variable set $\mathbf{X}_p$, showing that the rank is determined by the minimum support of a specific conditional set (not necessary in $\mathbf{X}_p$) that d-separates all variables in $\mathbf{X}_p$. By this, one can locate the latent variable through probing the rank on different observed variables set, and further identify the latent causal structure under some structure assumptions. We present the corresponding identification algorithm and conduct simulated experiments to verify the effectiveness of our method. In general, our results elegantly extend the identification boundary for causal discovery with discrete latent variables and expand the application scope of causal discovery with latent variables.

Zijian Li, Ruichu Cai, Haiqin Huang et al.

Existing model-based interactive recommendation systems are trained by querying a world model to capture the user preference, but learning the world model from historical logged data will easily suffer from bias issues such as popularity bias and sampling bias. This is why some debiased methods have been proposed recently. However, two essential drawbacks still remain: 1) ignoring the dynamics of the time-varying popularity results in a false reweighting of items. 2) taking the unknown samples as negative samples in negative sampling results in the sampling bias. To overcome these two drawbacks, we develop a model called \textbf{i}dentifiable \textbf{D}ebiased \textbf{M}odel-based \textbf{I}nteractive \textbf{R}ecommendation (\textbf{iDMIR} in short). In iDMIR, for the first drawback, we devise a debiased causal world model based on the causal mechanism of the time-varying recommendation generation process with identification guarantees; for the second drawback, we devise a debiased contrastive policy, which coincides with the debiased contrastive learning and avoids sampling bias. Moreover, we demonstrate that the proposed method not only outperforms several latest interactive recommendation algorithms but also enjoys diverse recommendation performance.

Ruichu Cai, Jinjie Yuan, Boyan Xu et al.

The Text-to-SQL task, aiming to translate the natural language of the questions into SQL queries, has drawn much attention recently. One of the most challenging problems of Text-to-SQL is how to generalize the trained model to the unseen database schemas, also known as the cross-domain Text-to-SQL task. The key lies in the generalizability of (i) the encoding method to model the question and the database schema and (ii) the question-schema linking method to learn the mapping between words in the question and tables/columns in the database schema. Focusing on the above two key issues, we propose a Structure-Aware Dual Graph Aggregation Network (SADGA) for cross-domain Text-to-SQL. In SADGA, we adopt the graph structure to provide a unified encoding model for both the natural language question and database schema. Based on the proposed unified modeling, we further devise a structure-aware aggregation method to learn the mapping between the question-graph and schema-graph. The structure-aware aggregation method is featured with Global Graph Linking, Local Graph Linking, and Dual-Graph Aggregation Mechanism. We not only study the performance of our proposal empirically but also achieved 3rd place on the challenging Text-to-SQL benchmark Spider at the time of writing.