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Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

Quantitative Methods · Quantitative Biology 2023-11-30 Zhichun Guo , Kehan Guo , Bozhao Nan , Yijun Tian , Roshni G. Iyer , Yihong Ma , Olaf Wiest , Xiangliang Zhang , Wei Wang , Chuxu Zhang , Nitesh V. Chawla

Standard supervised learning breaks down under data distribution shift. However, the principle of independent causal mechanisms (ICM, Peters et al. (2017)) can turn this weakness into an opportunity: one can take advantage of distribution…

Machine Learning · Computer Science 2021-02-09 Jens Müller , Robert Schmier , Lynton Ardizzone , Carsten Rother , Ullrich Köthe

Causal representation learning (CRL) aims at recovering latent causal variables from high-dimensional observations to solve causal downstream tasks, such as predicting the effect of new interventions or more robust classification. A…

Machine Learning · Computer Science 2025-03-06 Dingling Yao , Dario Rancati , Riccardo Cadei , Marco Fumero , Francesco Locatello

While witnessing the exceptional success of machine learning (ML) technologies in many applications, users are starting to notice a critical shortcoming of ML: correlation is a poor substitute for causation. The conventional way to discover…

Machine Learning · Computer Science 2024-09-26 Ahmet Kapkiç , Pratanu Mandal , Shu Wan , Paras Sheth , Abhinav Gorantla , Yoonhyuk Choi , Huan Liu , K. Selçuk Candan

One of the central elements of any causal inference is an object called structural causal model (SCM), which represents a collection of mechanisms and exogenous sources of random variation of the system under investigation (Pearl, 2000). An…

Machine Learning · Computer Science 2022-10-05 Kevin Xia , Kai-Zhan Lee , Yoshua Bengio , Elias Bareinboim

Causal representation learning (CRL) models aim to transform high-dimensional data into a latent space, enabling interventions to generate counterfactual samples or modify existing data based on the causal relationships among latent…

Machine Learning · Computer Science 2026-03-19 Alireza Sadeghi , Wael AbdAlmageed

Recent developments in causal inference have greatly shifted the interest from estimating the average treatment effect to the individual treatment effect. In this article, we improve the predictive accuracy of representation learning and…

Machine Learning · Statistics 2025-08-05 Yang Sun , Wenbin Lu , Yi-Hui Zhou

Autonomous operations of robots in unknown environments are challenging due to the lack of knowledge of the dynamics of the interactions, such as the objects' movability. This work introduces a novel Causal Reinforcement Learning approach…

We formulate a general framework for building structural causal models (SCMs) with deep learning components. The proposed approach employs normalising flows and variational inference to enable tractable inference of exogenous noise…

Machine Learning · Statistics 2020-10-26 Nick Pawlowski , Daniel C. Castro , Ben Glocker

Causal relationships play a fundamental role in understanding the world around us. The ability to identify and understand cause-effect relationships is critical to making informed decisions, predicting outcomes, and developing effective…

Statistical Mechanics · Physics 2025-09-10 Sergio Chibbaro , Cyril Furtlehner , Théo Marchetta , Andrei-Tiberiu Pantea , Davide Rossetti

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…

Machine Learning · Computer Science 2025-04-25 Ruichu Cai , Siyang Huang , Jie Qiao , Wei Chen , Yan Zeng , Keli Zhang , Fuchun Sun , Yang Yu , Zhifeng Hao

Representation learning for images has been advanced by recent progress in more complex neural models such as the Vision Transformers and new learning theories such as the structural causal models. However, these models mainly rely on the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Zitan Chen , Zhuang Qi , Xiao Cao , Xiangxian Li , Xiangxu Meng , Lei Meng

Understanding causal heterogeneity is essential for scientific discovery in domains such as biology and medicine. However, existing methods lack causal awareness, with insufficient modeling of heterogeneity, confounding, and observational…

Machine Learning · Computer Science 2025-10-29 Wenrui Li , Qinghao Zhang , Xiaowo Wang

Existing visual question answering methods often suffer from cross-modal spurious correlations and oversimplified event-level reasoning processes that fail to capture event temporality, causality, and dynamics spanning over the video. In…

Computer Vision and Pattern Recognition · Computer Science 2023-06-08 Yang Liu , Guanbin Li , Liang Lin

LLMs suffer from critical reasoning issues such as unfaithfulness, bias, and inconsistency, since they lack robust causal underpinnings and may rely on superficial correlations rather than genuine understanding. Successive LRMs have emerged…

Artificial Intelligence · Computer Science 2025-09-23 Zhizhang FU , Guangsheng Bao , Hongbo Zhang , Chenkai Hu , Yue Zhang

Causal reasoning can be considered a cornerstone of intelligent systems. Having access to an underlying causal graph comes with the promise of cause-effect estimation and the identification of efficient and safe interventions. However,…

Machine Learning · Computer Science 2023-11-10 Amir Mohammad Karimi Mamaghan , Andrea Dittadi , Stefan Bauer , Karl Henrik Johansson , Francesco Quinzan

Recent years have seen rapid progress at the intersection between causality and machine learning. Motivated by scientific applications involving high-dimensional data, in particular in biomedicine, we propose a deep neural architecture for…

Machine Learning · Computer Science 2022-12-12 Kai Lagemann , Christian Lagemann , Bernd Taschler , Sach Mukherjee

Causal representation learning (CRL) offers the promise of uncovering the underlying causal model by which observed data was generated, but the practical applicability of existing methods remains limited by the strong assumptions required…

Machine Learning · Computer Science 2026-01-30 Yuhang Liu , Zhen Zhang , Dong Gong , Erdun Gao , Biwei Huang , Mingming Gong , Anton van den Hengel , Kun Zhang , Javen Qinfeng Shi

Causal models provide rich descriptions of complex systems as sets of mechanisms by which each variable is influenced by its direct causes. They support reasoning about manipulating parts of the system and thus hold promise for addressing…

Machine Learning · Computer Science 2024-06-21 Julius von Kügelgen

We propose to meta-learn causal structures based on how fast a learner adapts to new distributions arising from sparse distributional changes, e.g. due to interventions, actions of agents and other sources of non-stationarities. We show…