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Modern deep learning models excel at pattern recognition but remain fundamentally limited by their reliance on spurious correlations, leading to poor generalization and a demand for massive datasets. We argue that a key ingredient for…

Machine Learning · Computer Science 2025-09-17 Mohamed Zayaan S

Sample-efficient exploration is crucial not only for discovering rewarding experiences but also for adapting to environment changes in a task-agnostic fashion. A principled treatment of the problem of optimal input synthesis for system…

Machine Learning · Computer Science 2019-10-10 Matthias Schultheis , Boris Belousov , Hany Abdulsamad , Jan Peters

Research on cluster analysis for categorical data continues to develop, with new clustering algorithms being proposed. However, in this context, the determination of the number of clusters is rarely addressed. In this paper, we propose a…

Methodology · Statistics 2014-09-29 Cláudia Silvestre , Margarida G. M. S. Cardoso , Mário A. T. Figueiredo

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…

Biomolecules · Quantitative Biology 2023-08-25 Nikolai Schapin , Maciej Majewski , Alejandro Varela , Carlos Arroniz , Gianni De Fabritiis

Telling apart the cause and effect between two random variables with purely observational data is a challenging problem that finds applications in various scientific disciplines. A key principle utilized in this task is the algorithmic…

Machine Learning · Computer Science 2025-08-15 Quang-Duy Tran , Bao Duong , Phuoc Nguyen , Thin Nguyen

We introduce and characterise the performance of the Markov chain Monte Carlo (MCMC) inference method Prune Sampling for discrete and deterministic Bayesian networks (BNs). We developed a procedure to obtain the performance of a MCMC…

Computation · Statistics 2019-08-20 Frank Phillipson , Jurriaan Parie , Ron Weikamp

Simulating sampling algorithms with people has proven a useful method for efficiently probing and understanding their mental representations. We propose that the same methods can be used to study the representations of Large Language Models…

Artificial Intelligence · Computer Science 2024-01-31 Jian-Qiao Zhu , Haijiang Yan , Thomas L. Griffiths

The broad abundance of time series data, which is in sharp contrast to limited knowledge of the underlying network dynamic processes that produce such observations, calls for a rigorous and efficient method of causal network inference. Here…

Information Theory · Computer Science 2015-05-19 Jie Sun , Dane Taylor , Erik M. Bollt

Genes, proteins and other biological entities influence one another via causal molecular networks. Causal relationships in such networks are mediated by complex and diverse mechanisms, through latent variables, and are often specific to…

Machine Learning · Computer Science 2025-03-07 Izzy Newsham , Luka Kovačević , Richard Moulange , Nan Rosemary Ke , Sach Mukherjee

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between…

Machine Learning · Computer Science 2022-07-12 Gonçalo R. A. Faria , André F. T. Martins , Mário A. T. Figueiredo

The aim in many sciences is to understand the mechanisms that underlie the observed distribution of variables, starting from a set of initial hypotheses. Causal discovery allows us to infer mechanisms as sets of cause and effect…

Machine Learning · Computer Science 2025-03-05 Ashka Shah , Adela DePavia , Nathaniel Hudson , Ian Foster , Rick Stevens

In this paper we study a Markov Chain Monte Carlo (MCMC) Gibbs sampler for solving the integer least-squares problem. In digital communication the problem is equivalent to performing Maximum Likelihood (ML) detection in Multiple-Input…

Information Theory · Computer Science 2009-10-09 Morten Hansen , Babak Hassibi , Alexandros G. Dimakis , Weiyu Xu

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

The Minimal Learning Machine (MLM) is a nonlinear supervised approach based on learning a linear mapping between distance matrices computed in the input and output data spaces, where distances are calculated using a subset of points called…

This paper describes a Bayesian method for combining an arbitrary mixture of observational and experimental data in order to learn causal Bayesian networks. Observational data are passively observed. Experimental data, such as that produced…

Artificial Intelligence · Computer Science 2013-01-30 Gregory F. Cooper , Changwon Yoo

Advances in mobile computing technologies have made it possible to monitor and apply data-driven interventions across complex systems in real time. Markov decision processes (MDPs) are the primary model for sequential decision problems with…

Methodology · Statistics 2018-03-20 Longshaokan Wang , Eric B. Laber , Katie Witkiewitz

Monte Carlo maximum likelihood (MCML) provides an elegant approach to find maximum likelihood estimators (MLEs) for latent variable models. However, MCML algorithms are computationally expensive when the latent variables are…

Computation · Statistics 2020-08-05 Jaewoo Park , Murali Haran

Causal discovery is an imperative foundation for decision-making across domains, such as smart health, AI for drug discovery and AIOps. Traditional statistical causal discovery methods, while well-established, predominantly rely on…

Machine Learning · Computer Science 2025-06-03 ChengAo Shen , Zhengzhang Chen , Dongsheng Luo , Dongkuan Xu , Haifeng Chen , Jingchao Ni

Linear mixed models (LMMs), which incorporate fixed and random effects, are key tools for analyzing heterogeneous data, such as in personalized medicine. Nowadays, this type of data is increasingly wide, sometimes containing thousands of…

Machine Learning · Statistics 2026-05-15 Ryan Thompson , Matt P. Wand , Joanna J. J. Wang

Estimating individualized treatment effects from observational data presents a persistent challenge due to unmeasured confounding and structural bias. Causal Machine Learning (causal ML) methods, such as causal trees and doubly robust…

Machine Learning · Computer Science 2025-08-12 Po-Han Lee , Yu-Cheng Lin , Chan-Tung Ku , Chan Hsu , Pei-Cing Huang , Ping-Hsun Wu , Yihuang Kang
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