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Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts in predictive power when inferring the properties and…

Machine Learning · Computer Science 2016-11-11 Han Altae-Tran , Bharath Ramsundar , Aneesh S. Pappu , Vijay Pande

We consider the problem of inferring the values of an arbitrary set of variables (e.g., risk of diseases) given other observed variables (e.g., symptoms and diagnosed diseases) and high-dimensional signals (e.g., MRI images or EEG). This is…

Machine Learning · Statistics 2019-02-07 Hao Wang , Chengzhi Mao , Hao He , Mingmin Zhao , Tommi S. Jaakkola , Dina Katabi

A fully Bayesian approach is proposed for ultrahigh-dimensional nonparametric additive models in which the number of additive components may be larger than the sample size, though ideally the true model is believed to include only a small…

Methodology · Statistics 2013-09-24 Zuofeng Shang , Ping Li

Bayesian phylogenetic inference is often conducted via local or sequential search over topologies and branch lengths using algorithms such as random-walk Markov chain Monte Carlo (MCMC) or Combinatorial Sequential Monte Carlo (CSMC).…

Machine Learning · Statistics 2021-06-21 Antonio Khalil Moretti , Liyi Zhang , Christian A. Naesseth , Hadiah Venner , David Blei , Itsik Pe'er

Variational inference is an alternative estimation technique for Bayesian models. Recent work shows that variational methods provide consistent estimation via efficient, deterministic algorithms. Other tools, such as model selection using…

Methodology · Statistics 2023-08-01 Mark J. Meyer , Selina Carter , Elizabeth J. Malloy

Biologically inspired model (BIM) for image recognition is a robust computational architecture, which has attracted widespread attention. BIM can be described as a four-layer structure based on the mechanisms of the visual cortex. Although…

Computer Vision and Pattern Recognition · Computer Science 2017-10-30 Yan-Feng Lu , Li-Hao Jia , Hong Qaio , Yi Li

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive…

Machine Learning · Computer Science 2024-09-25 Wangyang Ying , Dongjie Wang , Xuanming Hu , Ji Qiu , Jin Park , Yanjie Fu

Understanding how systems evolve over time often requires discovering the differential equations that govern their behavior. Automatically learning these equations from experimental data is challenging when the data are noisy or limited,…

Data Analysis, Statistics and Probability · Physics 2025-11-19 Oriol Cabanas-Tirapu , Sergio Cobo-Lopez , Savannah E. Sanchez , Forest L. Rohwer , Marta Sales-Pardo , Roger Guimerà

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

Quantitative Methods · Quantitative Biology 2025-11-17 Seth Alain Chang , Muhammad Mueez Amjad , Noorul Wahab , Ethar Alzaid , Nasir Rajpoot , Adam Shephard

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to…

Machine Learning · Statistics 2018-11-30 Luigi Acerbi

Precision medicine stands as a transformative approach in healthcare, offering tailored treatments that can enhance patient outcomes and reduce healthcare costs. As understanding of complex disease improves, clinical trials are being…

Methodology · Statistics 2024-05-15 Lara Maleyeff , Shirin Golchi , Erica E. M. Moodie , Marie Hudson

Symbolic regression is a powerful tool for discovering governing equations directly from data, but its sensitivity to noise hinders its broader application. This paper introduces a Sequential Monte Carlo (SMC) framework for Bayesian…

Machine Learning · Computer Science 2025-12-12 Geoffrey F. Bomarito , Patrick E. Leser

Matrix completion and robust principal component analysis have been widely used for the recovery of data suffering from missing entries or outliers. In many real-world applications however, the data is also time-varying, and the naive…

Signal Processing · Electrical Eng. & Systems 2019-06-25 Charul , Uttkarsha Bhatt , Pravesh Biyani , Ketan Rajawat

Bayesian inference promises to ground and improve the performance of deep neural networks. It promises to be robust to overfitting, to simplify the training procedure and the space of hyperparameters, and to provide a calibrated measure of…

Machine Learning · Computer Science 2019-08-12 Jonathan Heek , Nal Kalchbrenner

Low-rank matrix completion is a widely studied problem with many variants. Inductive matrix completion (IMC) incorporates row and column side information to significantly narrow the search space. Prior work falls into two regimes: methods…

Machine Learning · Statistics 2026-05-19 Yuepeng Yang , Cong Ma

The great success of deep learning (DL) has inspired researchers to develop more accurate and efficient symbol detectors for multi-input multi-output (MIMO) systems. Existing DL-based MIMO detectors, however, suffer several drawbacks. To…

Information Theory · Computer Science 2022-01-12 Qian Wan , Jun Fang , Yinsen Huang , Huiping Duan , Hongbin Li

Variable selection in ultra-high dimensional linear regression is often preceded by a screening step to significantly reduce the dimension. Here we develop a Bayesian variable screening method (BITS) guided by the posterior model…

Methodology · Statistics 2025-02-28 Run Wang , Somak Dutta , Vivekananda Roy

We present a mathematical and computational framework for the problem of learning a dynamical system from noisy observations of a few trajectories and subject to side information. Side information is any knowledge we might have about the…

Optimization and Control · Mathematics 2022-01-19 Amir Ali Ahmadi , Bachir El Khadir

Drug synergy prediction is a critical task in the development of effective combination therapies for complex diseases, including cancer. Although existing methods have shown promising results, they often operate as black-box predictors that…

Machine Learning · Computer Science 2025-11-05 Yi Luo , Haochen Zhao , Xiao Liang , Yiwei Liu , Yuye Zhang , Xinyu Li , Jianxin Wang

Humans demonstrate a variety of interesting behavioral characteristics when performing tasks, such as selecting between seemingly equivalent optimal actions, performing recovery actions when deviating from the optimal trajectory, or…

Robotics · Computer Science 2022-11-08 Hanbit Oh , Hikaru Sasaki , Brendan Michael , Takamitsu Matsubara