Mengyue Yang

Mengyue Yang, Zhen Fang, Yonggang Zhang et al.

Out-of-distribution (OOD) generalization is indispensable for learning models in the wild, where testing distribution typically unknown and different from the training. Recent methods derived from causality have shown great potential in achieving OOD generalization. However, existing methods mainly focus on the invariance property of causes, while largely overlooking the property of \textit{sufficiency} and \textit{necessity} conditions. Namely, a necessary but insufficient cause (feature) is invariant to distribution shift, yet it may not have required accuracy. By contrast, a sufficient yet unnecessary cause (feature) tends to fit specific data well but may have a risk of adapting to a new domain. To capture the information of sufficient and necessary causes, we employ a classical concept, the probability of sufficiency and necessary causes (PNS), which indicates the probability of whether one is the necessary and sufficient cause. To associate PNS with OOD generalization, we propose PNS risk and formulate an algorithm to learn representation with a high PNS value. We theoretically analyze and prove the generalizability of the PNS risk. Experiments on both synthetic and real-world benchmarks demonstrate the effectiveness of the proposed method. The details of the implementation can be found at the GitHub repository: https://github.com/ymy4323460/CaSN.

Mengyue Yang, Xinyu Cai, Furui Liu et al.

Learning representations purely from observations concerns the problem of learning a low-dimensional, compact representation which is beneficial to prediction models. Under the hypothesis that the intrinsic latent factors follow some casual generative models, we argue that by learning a causal representation, which is the minimal sufficient causes of the whole system, we can improve the robustness and generalization performance of machine learning models. In this paper, we develop a learning method to learn such representation from observational data by regularizing the learning procedure with mutual information measures, according to the hypothetical factored causal graph. We theoretically and empirically show that the models trained with the learned causal representations are more robust under adversarial attacks and distribution shifts compared with baselines. The supplementary materials are available at https://github.com/ymy $4323460 / \mathrm{CaRI} /$.

Jiarui Jin, Xianyu Chen, Weinan Zhang et al.

Learning-to-rank is a core technique in the top-N recommendation task, where an ideal ranker would be a mapping from an item set to an arrangement (a.k.a. permutation). Most existing solutions fall in the paradigm of probabilistic ranking principle (PRP), i.e., first score each item in the candidate set and then perform a sort operation to generate the top ranking list. However, these approaches neglect the contextual dependence among candidate items during individual scoring, and the sort operation is non-differentiable. To bypass the above issues, we propose Set-To-Arrangement Ranking (STARank), a new framework directly generates the permutations of the candidate items without the need for individually scoring and sort operations; and is end-to-end differentiable. As a result, STARank can operate when only the ground-truth permutations are accessible without requiring access to the ground-truth relevance scores for items. For this purpose, STARank first reads the candidate items in the context of the user browsing history, whose representations are fed into a Plackett-Luce module to arrange the given items into a list. To effectively utilize the given ground-truth permutations for supervising STARank, we leverage the internal consistency property of Plackett-Luce models to derive a computationally efficient list-wise loss. Experimental comparisons against 9 the state-of-the-art methods on 2 learning-to-rank benchmark datasets and 3 top-N real-world recommendation datasets demonstrate the superiority of STARank in terms of conventional ranking metrics. Notice that these ranking metrics do not consider the effects of the contextual dependence among the items in the list, we design a new family of simulation-based ranking metrics, where existing metrics can be regarded as special cases. STARank can consistently achieve better performance in terms of PBM and UBM simulation-based metrics.

Boyu Chen, Junjie Liu, Zhu Li et al.

Probability of necessity and sufficiency (PNS) measures the likelihood of a feature set being both necessary and sufficient for predicting an outcome. It has proven effective in guiding representation learning for unimodal data, enhancing both predictive performance and model robustness. Despite these benefits, extending PNS to multimodal settings remains unexplored. This extension presents unique challenges, as the conditions for PNS estimation, exogeneity and monotonicity, need to be reconsidered in a multimodal context. We address these challenges by first conceptualizing multimodal representations as comprising modality-invariant and modality-specific components. We then analyze how to compute PNS for each component while ensuring non-trivial PNS estimation. Based on these analyses, we formulate tractable optimization objectives that enable multimodal models to learn high-PNS representations. Experiments demonstrate the effectiveness of our method on both synthetic and real-world data.

Hongnan Ma, Yiwei Shi, Guanxiong Sun et al.

In decision-making processes, stakeholders often rely on counterfactual explanations, which provide suggestions about what should be changed in the queried instance to alter the outcome of an AI system. However, generating these explanations for multivariate time series presents challenges due to their complex, multi-dimensional nature. Traditional Nearest Unlike Neighbor-based methods typically substitute subsequences in a queried time series with influential subsequences from an NUN, which is not always realistic in real-world scenarios due to the rigid direct substitution. Counterfactual with Residual Generative Adversarial Networks-based methods aim to address this by learning from the distribution of observed data to generate synthetic counterfactual explanations. However, these methods primarily focus on minimizing the cost from the queried time series to the counterfactual explanations and often neglect the importance of distancing the counterfactual explanation from the decision boundary. This oversight can result in explanations that no longer qualify as counterfactual if minor changes occur within the model. To generate a more robust counterfactual explanation, we introduce TriShGAN, under the CounteRGAN framework enhanced by the incorporation of triplet loss. This unsupervised learning approach uses distance metric learning to encourage the counterfactual explanations not only to remain close to the queried time series but also to capture the feature distribution of the instance with the desired outcome, thereby achieving a better balance between minimal cost and robustness. Additionally, we integrate a Shapelet Extractor that strategically selects the most discriminative parts of the high-dimensional queried time series to enhance the sparsity of counterfactual explanation and efficiency of the training process.

Qirui Mi, Mengyue Yang, Xiangning Yu et al.

Simulating collective decision-making involves more than aggregating individual behaviors; it emerges from dynamic interactions among individuals. While large language models (LLMs) offer strong potential for social simulation, achieving quantitative alignment with real-world data remains a key challenge. To bridge this gap, we propose the Mean-Field LLM (MF-LLM) framework, the first to incorporate mean field theory into LLM-based social simulation. MF-LLM models bidirectional interactions between individuals and the population through an iterative process, generating population signals to guide individual decisions, which in turn update the signals. This interplay produces coherent trajectories of collective behavior. To improve alignment with real-world data, we introduce IB-Tune, a novel fine-tuning method inspired by the Information Bottleneck principle, which retains population signals most predictive of future actions while filtering redundant history. Evaluated on a real-world social dataset, MF-LLM reduces KL divergence to human population distributions by 47\% compared to non-mean-field baselines, enabling accurate trend forecasting and effective intervention planning. Generalizing across 7 domains and 4 LLM backbones, MF-LLM provides a scalable, high-fidelity foundation for social simulation.

Zhiyu Zhao, Haoxuan Li, Haifeng Zhang et al. · pku

When building a world model, a common assumption is that the environment has a single, unchanging underlying causal rule, like applying Newton's laws to every situation. In reality, what appears as a drifting causal mechanism is often the manifestation of a fixed underlying mechanism seen through a narrow observational window. This brings about a problem that, when building a world model, even subtle shifts in policy or environment states can alter the very observed causal mechanisms. In this work, we introduce the \textbf{Meta-Causal Graph} as world models, a minimal unified representation that efficiently encodes the transformation rules governing how causal structures shift across different latent world states. A single Meta-Causal Graph is composed of multiple causal subgraphs, each triggered by meta state, which is in the latent state space. Building on this representation, we introduce a \textbf{Causality-Seeking Agent} whose objectives are to (1) identify the meta states that trigger each subgraph, (2) discover the corresponding causal relationships by agent curiosity-driven intervention policy, and (3) iteratively refine the Meta-Causal Graph through ongoing curiosity-driven exploration and agent experiences. Experiments on both synthetic tasks and a challenging robot arm manipulation task demonstrate that our method robustly captures shifts in causal dynamics and generalizes effectively to previously unseen contexts.

Yiwei Shi, Mengyue Yang, Qi Zhang et al.

In many real-world scenarios, such as gas leak detection or environmental pollutant tracking, solving the Inverse Source Localization and Characterization problem involves navigating complex, dynamic fields with sparse and noisy observations. Traditional methods face significant challenges, including partial observability, temporal and spatial dynamics, out-of-distribution generalization, and reward sparsity. To address these issues, we propose a hierarchical framework that integrates Bayesian inference and reinforcement learning. The framework leverages an attention-enhanced particle filtering mechanism for efficient and accurate belief updates, and incorporates two complementary execution strategies: Attention Particle Filtering Planning and Attention Particle Filtering Reinforcement Learning. These approaches optimize exploration and adaptation under uncertainty. Theoretical analysis proves the convergence of the attention-enhanced particle filter, while extensive experiments across diverse scenarios validate the framework's superior accuracy, adaptability, and computational efficiency. Our results highlight the framework's potential for broad applications in dynamic field estimation tasks.

Yuchen Zhu, Daniel Augusto de Souza, Zhengyan Shi et al.

We address the problem of reward hacking, where maximising a proxy reward does not necessarily increase the true reward. This is a key concern for Large Language Models (LLMs), as they are often fine-tuned on human preferences that may not accurately reflect a true objective. Existing work uses various tricks such as regularisation, tweaks to the reward model, and reward hacking detectors, to limit the influence that such proxy preferences have on a model. Luckily, in many contexts such as medicine, education, and law, a sparse amount of expert data is often available. In these cases, it is often unclear whether the addition of proxy data can improve policy learning. We outline a set of sufficient conditions on proxy feedback that, if satisfied, indicate that proxy data can provably improve the sample complexity of learning the ground truth policy. These conditions can inform the data collection process for specific tasks. The result implies a parameterisation for LLMs that achieves this improved sample complexity. We detail how one can adapt existing architectures to yield this improved sample complexity.

Anjie Liu, Jianhong Wang, Samuel Kaski et al.

Steering cooperative multi-agent reinforcement learning (MARL) towards desired outcomes is challenging, particularly when the global guidance from a human on the whole multi-agent system is impractical in a large-scale MARL. On the other hand, designing external mechanisms (e.g., intrinsic rewards and human feedback) to coordinate agents mostly relies on empirical studies, lacking a easy-to-use research tool. In this work, we employ multi-agent influence diagrams (MAIDs) as a graphical framework to address the above issues. First, we introduce the concept of MARL interaction paradigms (orthogonal to MARL learning paradigms), using MAIDs to analyze and visualize both unguided self-organization and global guidance mechanisms in MARL. Then, we design a new MARL interaction paradigm, referred to as the targeted intervention paradigm that is applied to only a single targeted agent, so the problem of global guidance can be mitigated. In implementation, we introduce a causal inference technique, referred to as Pre-Strategy Intervention (PSI), to realize the targeted intervention paradigm. Since MAIDs can be regarded as a special class of causal diagrams, a composite desired outcome that integrates the primary task goal and an additional desired outcome can be achieved by maximizing the corresponding causal effect through the PSI. Moreover, the bundled relevance graph analysis of MAIDs provides a tool to identify whether an MARL learning paradigm is workable under the design of an MARL interaction paradigm. In experiments, we demonstrate the effectiveness of our proposed targeted intervention, and verify the result of relevance graph analysis.

Hao Yang, Haoxuan Li, Mengyue Yang et al.

The order of training samples plays a crucial role in large language models (LLMs), significantly impacting both their external performance and internal learning dynamics. Traditional methods for investigating this effect generally require retraining the model with various sample orders, which is computationally infeasible for LLMs. In this work, we improve traditional methods by designing a retraining-free framework. By approximating Adam optimizer updates with first- and second-order Taylor expansions and utilizing random projection methods to store intermediate checkpoints, our framework can efficiently estimate model parameters for arbitrary training sample orders. Next, we apply our framework to two downstream research problems: (1) Training curriculum design for LLMs -- we base our retraining-free framework to propose a novel curriculum learning strategy that augments curriculum proposals with estimated model performances, enabling more informed sample scheduling. (2) LLMs' memorization and generalization effect analysis -- we use our retraining-free framework to estimate how the positions of training samples influence LLMs' capacity for memorization and generalization. We conduct extensive experiments to validate the effectiveness of our retraining-free framework in reproducing the true model performances, and further demonstrate its potential in optimizing LLM training curricula and analyzing the memorization and generalization effects of LLMs.

Yiwei Shi, Jingyu Hu, Yu Zhang et al.

Particle filtering is a Bayesian inference method and a fundamental tool in state estimation for dynamic systems, but its effectiveness is often limited by the constraints of the initial prior distribution, a phenomenon we define as the Prior Boundary Phenomenon. This challenge arises when target states lie outside the prior's support, rendering traditional particle filtering methods inadequate for accurate estimation. Although techniques like unbounded priors and larger particle sets have been proposed, they remain computationally prohibitive and lack adaptability in dynamic scenarios. To systematically overcome these limitations, we propose the Diffusion-Enhanced Particle Filtering Framework, which introduces three key innovations: adaptive diffusion through exploratory particles, entropy-driven regularisation to prevent weight collapse, and kernel-based perturbations for dynamic support expansion. These mechanisms collectively enable particle filtering to explore beyond prior boundaries, ensuring robust state estimation for out-of-boundary targets. Theoretical analysis and extensive experiments validate framework's effectiveness, indicating significant improvements in success rates and estimation accuracy across high-dimensional and non-convex scenarios.

Mengyue Yang, Quanyu Dai, Zhenhua Dong et al.

Top-N recommendation, which aims to learn user ranking-based preference, has long been a fundamental problem in a wide range of applications. Traditional models usually motivate themselves by designing complex or tailored architectures based on different assumptions. However, the training data of recommender system can be extremely sparse and imbalanced, which poses great challenges for boosting the recommendation performance. To alleviate this problem, in this paper, we propose to reformulate the recommendation task within the causal inference framework, which enables us to counterfactually simulate user ranking-based preferences to handle the data scarce problem. The core of our model lies in the counterfactual question: "what would be the user's decision if the recommended items had been different?". To answer this question, we firstly formulate the recommendation process with a series of structural equation models (SEMs), whose parameters are optimized based on the observed data. Then, we actively indicate many recommendation lists (called intervention in the causal inference terminology) which are not recorded in the dataset, and simulate user feedback according to the learned SEMs for generating new training samples. Instead of randomly intervening on the recommendation list, we design a learning-based method to discover more informative training samples. Considering that the learned SEMs can be not perfect, we, at last, theoretically analyze the relation between the number of generated samples and the model prediction error, based on which a heuristic method is designed to control the negative effect brought by the prediction error. Extensive experiments are conducted based on both synthetic and real-world datasets to demonstrate the effectiveness of our framework.

Minne Li, Mengyue Yang, Furui Liu et al.

The capability of imagining internally with a mental model of the world is vitally important for human cognition. If a machine intelligent agent can learn a world model to create a "dream" environment, it can then internally ask what-if questions -- simulate the alternative futures that haven't been experienced in the past yet -- and make optimal decisions accordingly. Existing world models are established typically by learning spatio-temporal regularities embedded from the past sensory signal without taking into account confounding factors that influence state transition dynamics. As such, they fail to answer the critical counterfactual questions about "what would have happened" if a certain action policy was taken. In this paper, we propose Causal World Models (CWMs) that allow unsupervised modeling of relationships between the intervened observations and the alternative futures by learning an estimator of the latent confounding factors. We empirically evaluate our method and demonstrate its effectiveness in a variety of physical reasoning environments. Specifically, we show reductions in sample complexity for reinforcement learning tasks and improvements in counterfactual physical reasoning.

Mengyue Yang, Furui Liu, Zhitang Chen et al.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree by providing supervision signals (e.g. feature labels). Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.