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Jie Qiao

Publications and source records attributed to Jie Qiao.

At least 19 recordsLinked to original sources

IADD-TR: Intervention-Aware Dynamics Decoupling with Targeted Regularization for Model-Based Reinforcement Learning

Model-based reinforcement learning (MBRL), which learns environment dynamics to generate synthetic experience, is a promising approach to sample-efficient decision making. Numerous methods have been developed to improve dynamics prediction and policy optimization for MBRL through uncertainty estimation, model regularization, and conservative value learning. However, these methods typically treat the transition model and critic as monolithic predictors, overlooking the policy-induced data bias. Consequently, action can become entangled with environmental evolution, while uneven action coverage may distort the counterfactual value estimates used for policy improvement. To address this, we propose IADD-TR, a unified framework combining Intervention-Aware Dynamics Decoupling (IADD) and Targeted Regularization (TR). IADD factorizes transitions into an action-intervention stage and an action-free natural evolution stage, using a zero-action anchor to resolve the non-uniqueness of this two-stage factorization for robust generalization. Its latent and state-aligned components are identifiable up to an invertible within-block transformation and pointwise, respectively. For policy learning, we derive TR from the efficient influence function of a replay-state policy-gradient functional. TR augments the critic with an action-density-scaled residual correction and optimizes a targeted loss, yielding doubly robust policy-gradient estimation when either the critic or the replay action density is consistently specified. Extensive experiments on five MuJoCo tasks show that IADD-TR achieves competitive returns with improved sample efficiency.

cs.LG

CDFM: Towards a General-Purpose Causal Discovery Foundation Model

Causal discovery, the process of recovering underlying causal structures from observational data, is a fundamental pursuit across scientific disciplines. Over the past decades, numerous algorithms have been developed to tackle this challenge through workflows tailored to the specific causal mechanisms underlying each type of dataset, demonstrating effectiveness across a wide range of applications. However, as the volume and heterogeneity of real-world data continue to grow, this dataset-specific approach inevitably leads to a fragmented, test-driven paradigm that struggles to scale to the demands of modern scientific discovery. To address this, we formulate the Causal Discovery Foundation Model (CDFM) as a unified, general-purpose framework for zero-shot structural inference. To ensure reliable generalization across unknown domains, we first investigate the theoretical boundaries of causal identifiability, revealing the indispensable role of causal prior mechanisms in this process. Building on these insights, we formulate a principled variational framework that treats unknown causal mechanisms as latent variables and mathematically decomposes the intractable marginal likelihood into distinct, tractable learning modules. The variational decomposition provides a conceptual design principle for the architecture design of CDFM, while comprehensive causal knowledge guides the large-scale synthesis of our pretraining data. By pretraining on a massive, highly diverse space of synthetic structural causal models, CDFM successfully internalizes complex statistical asymmetries. Extensive experiments demonstrate that CDFM consistently outperforms traditional algorithms, driving a paradigm shift toward a general-purpose causal discovery foundation model.

cs.LG

Advances in Temporal Point Processes: Bayesian, Neural, and LLM Approaches

Temporal point processes (TPPs) are stochastic process models used to characterize event sequences occurring in continuous time. Traditional statistical TPPs have a long-standing history, with numerous models proposed and successfully applied across diverse domains. In recent years, advances in deep learning have spurred the development of neural TPPs, enabling greater flexibility and expressiveness in capturing complex temporal dynamics. The emergence of large language models (LLMs) has further sparked excitement, offering new possibilities for modeling and analyzing event sequences by leveraging their rich contextual understanding. This survey presents a comprehensive review of recent research on TPPs from three perspectives: Bayesian, deep learning, and LLM approaches. We begin with a review of the fundamental concepts of TPPs, followed by an in-depth discussion of model design and parameter estimation techniques in these three frameworks. We also revisit classic application areas of TPPs to highlight their practical relevance. Finally, we outline challenges and promising directions for future research.

cs.LG

Causal Effect Estimation under Networked Interference without Networked Unconfoundedness Assumption

Estimating causal effects under networked interference from observational data is a crucial yet challenging problem. Most existing methods mainly rely on the networked unconfoundedness assumption, which guarantees the identification of networked effects. However, this assumption is often violated due to the latent confounders inherent in observational data, thereby hindering the identification of networked effects. To address this issue, we leverage the rich interaction patterns between units in networks, which provide valuable information for recovering these latent confounders. Building on this insight, we develop a confounder recovery framework that explicitly characterizes three categories of latent confounders in networked settings: those affecting only the unit, those affecting only the unit's neighbors, and those influencing both. Based on this framework, we design a networked effect estimator using identifiable representation learning techniques. From a theoretical standpoint, we prove the identifiability of all three types of latent confounders and, by leveraging the recovered confounders, establish a formal identification result for networked effects. Extensive experiments validate our theoretical findings and demonstrate the effectiveness of the proposed method.

cs.LG

Phase transitions in the spin-1/2 Heisenberg antiferromagnet on the square lattice

The nature of the intermediate ground-state phase in the spin-1/2 frustrated square lattice model has long been debated. Using cluster density matrix embedding theory, we investigate the phase diagram of this model. The Neel phase is directly identified for J2<0.45 and the collinear phase for J2>0.65 based on the ground state. Although no direct evidence of an internal phase transition is found within the intermediate phase from the ground state, analysis of the first excited state wave function reveals a continuous quantum phase transition in this region, with a critical point at J2=0.55. This critical point divides the intermediate phase into PVBS and CVBS.

cond-mat.str-el

Non-Abelian Gauge Enhances Self-Healing for Non-Hermitian Su--Schrieffer--Heeger Chain

We investigate a non-Hermitian extension of the Su--Schrieffer--Heeger model that incorporates spin-dependent SU(2) gauge fields, represented by non-Abelian couplings between lattice sites, as well as independent nonreciprocal hopping amplitudes. This framework gives rise to a rich phase structure characterized by complex-energy braiding and tunable non-Hermitian skin effects. By employing the generalized Brillouin zone approach, we analyze the bulk-boundary correspondence and identify topological transitions protected by chiral symmetry. Notably, we demonstrate that non-Abelian gauge fields significantly enhance the dynamical resilience of the system, enabling robust self-healing under a moving scattering potential. These results clarify the role of SU(2) gauge fields in stabilizing non-Hermitian topological phases and indicate that the proposed model can be realized with currently available photonic, atomic, and superconducting experimental platforms.

cond-mat.mes-hall

An Identifiable Cost-Aware Causal Decision-Making Framework Using Counterfactual Reasoning

Decision making under abnormal conditions is a critical process that involves evaluating the current state and determining the optimal action to restore the system to a normal state at an acceptable cost. However, in such scenarios, existing decision-making frameworks highly rely on reinforcement learning or root cause analysis, resulting in them frequently neglecting the cost of the actions or failing to incorporate causal mechanisms adequately. By relaxing the existing causal decision framework to solve the necessary cause, we propose a minimum-cost causal decision (MiCCD) framework via counterfactual reasoning to address the above challenges. Emphasis is placed on making counterfactual reasoning processes identifiable in the presence of a large amount of mixed anomaly data, as well as finding the optimal intervention state in a continuous decision space. Specifically, it formulates a surrogate model based on causal graphs, using abnormal pattern clustering labels as supervisory signals. This enables the approximation of the structural causal model among the variables and lays a foundation for identifiable counterfactual reasoning. With the causal structure approximated, we then established an optimization model based on counterfactual estimation. The Sequential Least Squares Programming (SLSQP) algorithm is further employed to optimize intervention strategies while taking costs into account. Experimental evaluations on both synthetic and real-world datasets reveal that MiCCD outperforms conventional methods across multiple metrics, including F1-score, cost efficiency, and ranking quality(nDCG@k values), thus validating its efficacy and broad applicability.

cs.AI

Elucidating the role of ribosomal A1493 in stabilization and rigid support for the codon-anticodon helix from molecular dynamics simulations

The ribosome ensures translational accuracy by monitoring codon-anticodon interactions at the A site decoding center. However, the mechanism by which conserved nucleotide A1493 contributes to this process remains controversial. To address this, we performed molecular dynamics simulations initiated from ribosomal recognition intermediate, revealing A1493's multiple roles in decoding. Through 2D umbrella sampling, we quantified the coupling between A1493 flipping and the stability of the first base pair in the codon-anticodon helix. Our results demonstrate that A1493 promotes mRNA-tRNA pairing through entropy-driven stabilization, amplifies stability differences between cognate and near-cognate tRNAs, and functions as a "wedge" to provide rigid support for the codon-anticodon helix. Further analysis identified steric complementarity as essential for proper A1493 flipping, with the tRNA 37th position playing a key structural role. Additionally, we explored how pseudouridine modification and translocation influence codon-anticodon stability. Together, these findings refine the current mechanistic framework of ribosomal decoding.

physics.bio-ph

Learning by Doing: An Online Causal Reinforcement Learning Framework with Causal-Aware Policy

As a key component to intuitive cognition and reasoning solutions in human intelligence, causal knowledge provides great potential for reinforcement learning (RL) agents' interpretability towards decision-making by helping reduce the searching space. However, there is still a considerable gap in discovering and incorporating causality into RL, which hinders the rapid development of causal RL. In this paper, we consider explicitly modeling the generation process of states with the causal graphical model, based on which we augment the policy. We formulate the causal structure updating into the RL interaction process with active intervention learning of the environment. To optimize the derived objective, we propose a framework with theoretical performance guarantees that alternates between two steps: using interventions for causal structure learning during exploration and using the learned causal structure for policy guidance during exploitation. Due to the lack of public benchmarks that allow direct intervention in the state space, we design the root cause localization task in our simulated fault alarm environment and then empirically show the effectiveness and robustness of the proposed method against state-of-the-art baselines. Theoretical analysis shows that our performance improvement attributes to the virtuous cycle of causal-guided policy learning and causal structure learning, which aligns with our experimental results. Codes are available at https://github.com/DMIRLAB-Group/FaultAlarm_RL.

cs.LG

On the Probability of Necessity and Sufficiency of Explaining Graph Neural Networks: A Lower Bound Optimization Approach

The explainability of Graph Neural Networks (GNNs) is critical to various GNN applications, yet it remains a significant challenge. A convincing explanation should be both necessary and sufficient simultaneously. However, existing GNN explaining approaches focus on only one of the two aspects, necessity or sufficiency, or a heuristic trade-off between the two. Theoretically, the Probability of Necessity and Sufficiency (PNS) holds the potential to identify the most necessary and sufficient explanation since it can mathematically quantify the necessity and sufficiency of an explanation. Nevertheless, the difficulty of obtaining PNS due to non-monotonicity and the challenge of counterfactual estimation limit its wide use. To address the non-identifiability of PNS, we resort to a lower bound of PNS that can be optimized via counterfactual estimation, and propose a framework of Necessary and Sufficient Explanation for GNN (NSEG) via optimizing that lower bound. Specifically, we depict the GNN as a structural causal model (SCM), and estimate the probability of counterfactual via the intervention under the SCM. Additionally, we leverage continuous masks with a sampling strategy to optimize the lower bound to enhance the scalability. Empirical results demonstrate that NSEG outperforms state-of-the-art methods, consistently generating the most necessary and sufficient explanations.

cs.LG

Doubly Robust Causal Effect Estimation under Networked Interference via Targeted Learning

Causal effect estimation under networked interference is an important but challenging problem. Available parametric methods are limited in their model space, while previous semiparametric methods, e.g., leveraging neural networks to fit only one single nuisance function, may still encounter misspecification problems under networked interference without appropriate assumptions on the data generation process. To mitigate bias stemming from misspecification, we propose a novel doubly robust causal effect estimator under networked interference, by adapting the targeted learning technique to the training of neural networks. Specifically, we generalize the targeted learning technique into the networked interference setting and establish the condition under which an estimator achieves double robustness. Based on the condition, we devise an end-to-end causal effect estimator by transforming the identified theoretical condition into a targeted loss. Moreover, we provide a theoretical analysis of our designed estimator, revealing a faster convergence rate compared to a single nuisance model. Extensive experimental results on two real-world networks with semisynthetic data demonstrate the effectiveness of our proposed estimators.

cs.LG

Learning Discrete Latent Variable Structures with Tensor Rank Conditions

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.

cs.LG

Causal Discovery from Poisson Branching Structural Causal Model Using High-Order Cumulant with Path Analysis

Count data naturally arise in many fields, such as finance, neuroscience, and epidemiology, and discovering causal structure among count data is a crucial task in various scientific and industrial scenarios. One of the most common characteristics of count data is the inherent branching structure described by a binomial thinning operator and an independent Poisson distribution that captures both branching and noise. For instance, in a population count scenario, mortality and immigration contribute to the count, where survival follows a Bernoulli distribution, and immigration follows a Poisson distribution. However, causal discovery from such data is challenging due to the non-identifiability issue: a single causal pair is Markov equivalent, i.e., $X\rightarrow Y$ and $Y\rightarrow X$ are distributed equivalent. Fortunately, in this work, we found that the causal order from $X$ to its child $Y$ is identifiable if $X$ is a root vertex and has at least two directed paths to $Y$, or the ancestor of $X$ with the most directed path to $X$ has a directed path to $Y$ without passing $X$. Specifically, we propose a Poisson Branching Structure Causal Model (PB-SCM) and perform a path analysis on PB-SCM using high-order cumulants. Theoretical results establish the connection between the path and cumulant and demonstrate that the path information can be obtained from the cumulant. With the path information, causal order is identifiable under some graphical conditions. A practical algorithm for learning causal structure under PB-SCM is proposed and the experiments demonstrate and verify the effectiveness of the proposed method.

stat.ML

TNPAR: Topological Neural Poisson Auto-Regressive Model for Learning Granger Causal Structure from Event Sequences

Learning Granger causality from event sequences is a challenging but essential task across various applications. Most existing methods rely on the assumption that event sequences are independent and identically distributed (i.i.d.). However, this i.i.d. assumption is often violated due to the inherent dependencies among the event sequences. Fortunately, in practice, we find these dependencies can be modeled by a topological network, suggesting a potential solution to the non-i.i.d. problem by introducing the prior topological network into Granger causal discovery. This observation prompts us to tackle two ensuing challenges: 1) how to model the event sequences while incorporating both the prior topological network and the latent Granger causal structure, and 2) how to learn the Granger causal structure. To this end, we devise a unified topological neural Poisson auto-regressive model with two processes. In the generation process, we employ a variant of the neural Poisson process to model the event sequences, considering influences from both the topological network and the Granger causal structure. In the inference process, we formulate an amortized inference algorithm to infer the latent Granger causal structure. We encapsulate these two processes within a unified likelihood function, providing an end-to-end framework for this task. Experiments on simulated and real-world data demonstrate the effectiveness of our approach.

cs.LG

Where and How to Attack? A Causality-Inspired Recipe for Generating Counterfactual Adversarial Examples

Deep neural networks (DNNs) have been demonstrated to be vulnerable to well-crafted \emph{adversarial examples}, which are generated through either well-conceived $\mathcal{L}_p$-norm restricted or unrestricted attacks. Nevertheless, the majority of those approaches assume that adversaries can modify any features as they wish, and neglect the causal generating process of the data, which is unreasonable and unpractical. For instance, a modification in income would inevitably impact features like the debt-to-income ratio within a banking system. By considering the underappreciated causal generating process, first, we pinpoint the source of the vulnerability of DNNs via the lens of causality, then give theoretical results to answer \emph{where to attack}. Second, considering the consequences of the attack interventions on the current state of the examples to generate more realistic adversarial examples, we propose CADE, a framework that can generate \textbf{C}ounterfactual \textbf{AD}versarial \textbf{E}xamples to answer \emph{how to attack}. The empirical results demonstrate CADE's effectiveness, as evidenced by its competitive performance across diverse attack scenarios, including white-box, transfer-based, and random intervention attacks.

cs.LG

Identification of Causal Structure in the Presence of Missing Data with Additive Noise Model

Missing data are an unavoidable complication frequently encountered in many causal discovery tasks. When a missing process depends on the missing values themselves (known as self-masking missingness), the recovery of the joint distribution becomes unattainable, and detecting the presence of such self-masking missingness remains a perplexing challenge. Consequently, due to the inability to reconstruct the original distribution and to discern the underlying missingness mechanism, simply applying existing causal discovery methods would lead to wrong conclusions. In this work, we found that the recent advances additive noise model has the potential for learning causal structure under the existence of the self-masking missingness. With this observation, we aim to investigate the identification problem of learning causal structure from missing data under an additive noise model with different missingness mechanisms, where the `no self-masking missingness' assumption can be eliminated appropriately. Specifically, we first elegantly extend the scope of identifiability of causal skeleton to the case with weak self-masking missingness (i.e., no other variable could be the cause of self-masking indicators except itself). We further provide the sufficient and necessary identification conditions of the causal direction under additive noise model and show that the causal structure can be identified up to an IN-equivalent pattern. We finally propose a practical algorithm based on the above theoretical results on learning the causal skeleton and causal direction. Extensive experiments on synthetic and real data demonstrate the efficiency and effectiveness of the proposed algorithms.

cs.LG

On the Role of Entropy-based Loss for Learning Causal Structures with Continuous Optimization

Causal discovery from observational data is an important but challenging task in many scientific fields. Recently, a method with non-combinatorial directed acyclic constraint, called NOTEARS, formulates the causal structure learning problem as a continuous optimization problem using least-square loss. Though the least-square loss function is well justified under the standard Gaussian noise assumption, it is limited if the assumption does not hold. In this work, we theoretically show that the violation of the Gaussian noise assumption will hinder the causal direction identification, making the causal orientation fully determined by the causal strength as well as the variances of noises in the linear case and by the strong non-Gaussian noises in the nonlinear case. Consequently, we propose a more general entropy-based loss that is theoretically consistent with the likelihood score under any noise distribution. We run extensive empirical evaluations on both synthetic data and real-world data to validate the effectiveness of the proposed method and show that our method achieves the best in Structure Hamming Distance, False Discovery Rate, and True Positive Rate matrices.

cs.LG

Structural Hawkes Processes for Learning Causal Structure from Discrete-Time Event Sequences

Learning causal structure among event types from discrete-time event sequences is a particularly important but challenging task. Existing methods, such as the multivariate Hawkes processes based methods, mostly boil down to learning the so-called Granger causality which assumes that the cause event happens strictly prior to its effect event. Such an assumption is often untenable beyond applications, especially when dealing with discrete-time event sequences in low-resolution; and typical discrete Hawkes processes mainly suffer from identifiability issues raised by the instantaneous effect, i.e., the causal relationship that occurred simultaneously due to the low-resolution data will not be captured by Granger causality. In this work, we propose Structure Hawkes Processes (SHPs) that leverage the instantaneous effect for learning the causal structure among events type in discrete-time event sequence. The proposed method is featured with the minorization-maximization of the likelihood function and a sparse optimization scheme. Theoretical results show that the instantaneous effect is a blessing rather than a curse, and the causal structure is identifiable under the existence of the instantaneous effect. Experiments on synthetic and real-world data verify the effectiveness of the proposed method.

cs.LG