Max Planck Institute for Intelligent Systems




Abstract:We argue that the selective inclusion of data points based on latent objectives is common in practical situations, such as music sequences. Since this selection process often distorts statistical analysis, previous work primarily views it as a bias to be corrected and proposes various methods to mitigate its effect. However, while controlling this bias is crucial, selection also offers an opportunity to provide a deeper insight into the hidden generation process, as it is a fundamental mechanism underlying what we observe. In particular, overlooking selection in sequential data can lead to an incomplete or overcomplicated inductive bias in modeling, such as assuming a universal autoregressive structure for all dependencies. Therefore, rather than merely viewing it as a bias, we explore the causal structure of selection in sequential data to delve deeper into the complete causal process. Specifically, we show that selection structure is identifiable without any parametric assumptions or interventional experiments. Moreover, even in cases where selection variables coexist with latent confounders, we still establish the nonparametric identifiability under appropriate structural conditions. Meanwhile, we also propose a provably correct algorithm to detect and identify selection structures as well as other types of dependencies. The framework has been validated empirically on both synthetic data and real-world music.




Abstract:Recent works have introduced GNN-to-MLP knowledge distillation (KD) frameworks to combine both GNN's superior performance and MLP's fast inference speed. However, existing KD frameworks are primarily designed for node classification within single graphs, leaving their applicability to graph classification largely unexplored. Two main challenges arise when extending KD for node classification to graph classification: (1) The inherent sparsity of learning signals due to soft labels being generated at the graph level; (2) The limited expressiveness of student MLPs, especially in datasets with limited input feature spaces. To overcome these challenges, we introduce MuGSI, a novel KD framework that employs Multi-granularity Structural Information for graph classification. Specifically, we propose multi-granularity distillation loss in MuGSI to tackle the first challenge. This loss function is composed of three distinct components: graph-level distillation, subgraph-level distillation, and node-level distillation. Each component targets a specific granularity of the graph structure, ensuring a comprehensive transfer of structural knowledge from the teacher model to the student model. To tackle the second challenge, MuGSI proposes to incorporate a node feature augmentation component, thereby enhancing the expressiveness of the student MLPs and making them more capable learners. We perform extensive experiments across a variety of datasets and different teacher/student model architectures. The experiment results demonstrate the effectiveness, efficiency, and robustness of MuGSI. Codes are publicly available at: \textbf{\url{https://github.com/tianyao-aka/MuGSI}.}
Abstract:Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive power of standard GNNs are equivalent maximally to 1-dimensional Weisfeiler-Lehman (1-WL) Test. Recently, there is a line of works aiming to enhance the expressive power of graph neural networks. One line of such works aim at developing $K$-hop message-passing GNNs where node representation is updated by aggregating information from not only direct neighbors but all neighbors within $K$-hop of the node. Another line of works leverages subgraph information to enhance the expressive power which is proven to be strictly more powerful than 1-WL test. In this work, we discuss the limitation of $K$-hop message-passing GNNs and propose \textit{substructure encoding function} to uplift the expressive power of any $K$-hop message-passing GNN. We further inject contextualized substructure information to enhance the expressiveness of $K$-hop message-passing GNNs. Our method is provably more powerful than previous works on $K$-hop graph neural networks and 1-WL subgraph GNNs, which is a specific type of subgraph based GNN models, and not less powerful than 3-WL. Empirically, our proposed method set new state-of-the-art performance or achieves comparable performance for a variety of datasets. Our code is available at \url{https://github.com/tianyao-aka/Expresive_K_hop_GNNs}.




Abstract: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.




Abstract:The widespread integration of Machine Learning systems in daily life, particularly in high-stakes domains, has raised concerns about the fairness implications. While prior works have investigated static fairness measures, recent studies reveal that automated decision-making has long-term implications and that off-the-shelf fairness approaches may not serve the purpose of achieving long-term fairness. Additionally, the existence of feedback loops and the interaction between models and the environment introduces additional complexities that may deviate from the initial fairness goals. In this survey, we review existing literature on long-term fairness from different perspectives and present a taxonomy for long-term fairness studies. We highlight key challenges and consider future research directions, analyzing both current issues and potential further explorations.




Abstract:Cognitive Diagnosis~(CD), which leverages students and exercise data to predict students' proficiency levels on different knowledge concepts, is one of fundamental components in Intelligent Education. Due to the scarcity of student-exercise interaction data, most existing methods focus on making the best use of available data, such as exercise content and student information~(e.g., educational context). Despite the great progress, the abuse of student sensitive information has not been paid enough attention. Due to the important position of CD in Intelligent Education, employing sensitive information when making diagnosis predictions will cause serious social issues. Moreover, data-driven neural networks are easily misled by the shortcut between input data and output prediction, exacerbating this problem. Therefore, it is crucial to eliminate the negative impact of sensitive information in CD models. In response, we argue that sensitive attributes of students can also provide useful information, and only the shortcuts directly related to the sensitive information should be eliminated from the diagnosis process. Thus, we employ causal reasoning and design a novel Path-Specific Causal Reasoning Framework (PSCRF) to achieve this goal. Specifically, we first leverage an encoder to extract features and generate embeddings for general information and sensitive information of students. Then, we design a novel attribute-oriented predictor to decouple the sensitive attributes, in which fairness-related sensitive features will be eliminated and other useful information will be retained. Finally, we designed a multi-factor constraint to ensure the performance of fairness and diagnosis performance simultaneously. Extensive experiments over real-world datasets (e.g., PISA dataset) demonstrate the effectiveness of our proposed PSCRF.




Abstract:We consider the effect of temporal aggregation on instantaneous (non-temporal) causal discovery in general setting. This is motivated by the observation that the true causal time lag is often considerably shorter than the observational interval. This discrepancy leads to high aggregation, causing time-delay causality to vanish and instantaneous dependence to manifest. Although we expect such instantaneous dependence has consistency with the true causal relation in certain sense to make the discovery results meaningful, it remains unclear what type of consistency we need and when will such consistency be satisfied. We proposed functional consistency and conditional independence consistency in formal way correspond functional causal model-based methods and conditional independence-based methods respectively and provide the conditions under which these consistencies will hold. We show theoretically and experimentally that causal discovery results may be seriously distorted by aggregation especially in complete nonlinear case and we also find causal relationship still recoverable from aggregated data if we have partial linearity or appropriate prior. Our findings suggest community should take a cautious and meticulous approach when interpreting causal discovery results from such data and show why and when aggregation will distort the performance of causal discovery methods.




Abstract:Learning concepts from natural high-dimensional data (e.g., images) holds potential in building human-aligned and interpretable machine learning models. Despite its encouraging prospect, formalization and theoretical insights into this crucial task are still lacking. In this work, we formalize concepts as discrete latent causal variables that are related via a hierarchical causal model that encodes different abstraction levels of concepts embedded in high-dimensional data (e.g., a dog breed and its eye shapes in natural images). We formulate conditions to facilitate the identification of the proposed causal model, which reveals when learning such concepts from unsupervised data is possible. Our conditions permit complex causal hierarchical structures beyond latent trees and multi-level directed acyclic graphs in prior work and can handle high-dimensional, continuous observed variables, which is well-suited for unstructured data modalities such as images. We substantiate our theoretical claims with synthetic data experiments. Further, we discuss our theory's implications for understanding the underlying mechanisms of latent diffusion models and provide corresponding empirical evidence for our theoretical insights.




Abstract:Existing methods for multi-modal time series representation learning aim to disentangle the modality-shared and modality-specific latent variables. Although achieving notable performances on downstream tasks, they usually assume an orthogonal latent space. However, the modality-specific and modality-shared latent variables might be dependent on real-world scenarios. Therefore, we propose a general generation process, where the modality-shared and modality-specific latent variables are dependent, and further develop a \textbf{M}ulti-mod\textbf{A}l \textbf{TE}mporal Disentanglement (\textbf{MATE}) model. Specifically, our \textbf{MATE} model is built on a temporally variational inference architecture with the modality-shared and modality-specific prior networks for the disentanglement of latent variables. Furthermore, we establish identifiability results to show that the extracted representation is disentangled. More specifically, we first achieve the subspace identifiability for modality-shared and modality-specific latent variables by leveraging the pairing of multi-modal data. Then we establish the component-wise identifiability of modality-specific latent variables by employing sufficient changes of historical latent variables. Extensive experimental studies on multi-modal sensors, human activity recognition, and healthcare datasets show a general improvement in different downstream tasks, highlighting the effectiveness of our method in real-world scenarios.



Abstract:Temporally causal representation learning aims to identify the latent causal process from time series observations, but most methods require the assumption that the latent causal processes do not have instantaneous relations. Although some recent methods achieve identifiability in the instantaneous causality case, they require either interventions on the latent variables or grouping of the observations, which are in general difficult to obtain in real-world scenarios. To fill this gap, we propose an \textbf{ID}entification framework for instantane\textbf{O}us \textbf{L}atent dynamics (\textbf{IDOL}) by imposing a sparse influence constraint that the latent causal processes have sparse time-delayed and instantaneous relations. Specifically, we establish identifiability results of the latent causal process based on sufficient variability and the sparse influence constraint by employing contextual information of time series data. Based on these theories, we incorporate a temporally variational inference architecture to estimate the latent variables and a gradient-based sparsity regularization to identify the latent causal process. Experimental results on simulation datasets illustrate that our method can identify the latent causal process. Furthermore, evaluations on multiple human motion forecasting benchmarks with instantaneous dependencies indicate the effectiveness of our method in real-world settings.