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Artificial neural networks show promising performance in detecting correlations within data that are associated with specific outcomes. However, the black-box nature of such models can hinder the knowledge advancement in research fields by…

Machine Learning · Computer Science 2023-10-09 Jonas C. Ditz , Bernhard Reuter , Nico Pfeifer

Motivation: Algorithms that discover variables which are causally related to a target may inform the design of experiments. With observational gene expression data, many methods discover causal variables by measuring each variable's degree…

Quantitative Methods · Quantitative Biology 2014-07-30 Eric V. Strobl , Shyam Visweswaran

Learning the dynamic causal structure of time series is a challenging problem. Most existing approaches rely on distributional or structural invariance to uncover underlying causal dynamics, assuming stationary or partially stationary…

Machine Learning · Computer Science 2026-02-27 Dezhi Yang , Qiaoyu Tan , Carlotta Domeniconi , Jun Wang , Lizhen Cui , Guoxian Yu

Probabilistic generative deep learning for molecular design involves the discovery and design of new molecules and analysis of their structure, properties and activities by probabilistic generative models using the deep learning approach.…

Machine Learning · Computer Science 2019-02-15 Daniel T. Chang

Understanding the causal relationships between data variables can provide crucial insights into the construction of tabular datasets. Most existing causality learning methods typically focus on applying a single identifiable causal model,…

Machine Learning · Computer Science 2026-04-07 Hristo Petkov , Calum MacLellan , Feng Dong

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 discovery uncovers complex relationships between variables, enhancing predictions, decision-making, and insights into real-world systems, especially in nonlinear multivariate time series. However, most existing methods primarily…

Machine Learning · Computer Science 2025-10-30 Wasim Ahmad , Joachim Denzler , Maha Shadaydeh

Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Efficient and accurate joint representation of a collection of images, that belong to the same class, is a major research challenge for practical image set classification. Existing methods either make prior assumptions about the data…

Computer Vision and Pattern Recognition · Computer Science 2015-04-02 Muhammad Uzair , Faisal Shafait , Bernard Ghanem , Ajmal Mian

Despite impressive performance on language modelling and complex reasoning tasks, Large Language Models (LLMs) fall short on the same tasks in uncommon settings or with distribution shifts, exhibiting a lack of generalisation ability. By…

Computation and Language · Computer Science 2024-09-11 Gaël Gendron , Bao Trung Nguyen , Alex Yuxuan Peng , Michael Witbrock , Gillian Dobbie

Causal discovery, the task of inferring causal structure from data, has the potential to uncover mechanistic insights from biological experiments, especially those involving perturbations. However, causal discovery algorithms over larger…

Machine Learning · Computer Science 2025-04-01 Menghua Wu , Yujia Bao , Regina Barzilay , Tommi Jaakkola

We consider the problem of causal discovery (a.k.a., causal structure learning) in a multi-domain setting. We assume that the causal functions are invariant across the domains, while the distribution of the exogenous noise may vary. Under…

Machine Learning · Computer Science 2025-05-01 Kasra Jalaldoust , Saber Salehkaleybar , Negar Kiyavash

Linear structural causal models (SCMs) -- in which each observed variable is generated by a subset of the other observed variables as well as a subset of the exogenous sources -- are pervasive in causal inference and casual discovery.…

Machine Learning · Computer Science 2022-11-09 Yuqin Yang , Mohamed Nafea , AmirEmad Ghassami , Negar Kiyavash

Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This perspective enables us to reason about the effects of changes to this…

Machine Learning · Computer Science 2026-05-28 Jean Kaddour , Aengus Lynch , Qi Liu , Matt J. Kusner , Ricardo Silva

Causal dynamics models (CDMs) have demonstrated significant potential in addressing various challenges in reinforcement learning. To learn CDMs, recent studies have performed causal discovery to capture the causal dependencies among…

Machine Learning · Computer Science 2024-05-22 Zhongwei Yu , Jingqing Ruan , Dengpeng Xing

Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

Causal structure discovery in complex dynamical systems is an important challenge for many scientific domains. Although data from (interventional) experiments is usually limited, large amounts of observational time series data sets are…

Machine Learning · Computer Science 2021-10-19 Bart Bussmann , Jannes Nys , Steven Latré

To what extent is the success of deep visualization due to the training? Could we do deep visualization using untrained, random weight networks? To address this issue, we explore new and powerful generative models for three popular deep…

Computer Vision and Pattern Recognition · Computer Science 2016-06-17 Kun He , Yan Wang , John Hopcroft

Transceivers used for telecommunications transmit and receive specific modulation patterns that are represented as sequences of complex numbers. Classifying modulation patterns is challenging because noise and channel impairments affect the…

Machine Learning · Computer Science 2020-10-30 Jakob Krzyston , Rajib Bhattacharjea , Andrew Stark

Deep Neural Networks are being extensively used in communication systems and Automatic Modulation Classification (AMC) in particular. However, they are very susceptible to small adversarial perturbations that are carefully crafted to change…

Machine Learning · Computer Science 2022-11-03 Javier Maroto , Gérôme Bovet , Pascal Frossard
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