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Modern applications of machine learning (ML) deal with increasingly heterogeneous datasets comprised of data collected from overlapping latent subpopulations. As a result, traditional models trained over large datasets may fail to recognize…

Machine Learning · Statistics 2019-10-16 Benjamin Lengerich , Bryon Aragam , Eric P. Xing

The discovery of causal relationships from high-dimensional data is a major open problem in bioinformatics. Machine learning and feature attribution models have shown great promise in this context but lack causal interpretation. Here, we…

Machine Learning · Computer Science 2023-04-26 Payam Dibaeinia , Saurabh Sinha

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

The field of machine learning has seen tremendous progress in recent years, with deep learning models delivering exceptional performance across a range of tasks. However, these models often come at the cost of interpretability, as they…

Machine Learning · Computer Science 2024-01-08 Shun Liu

As systems are getting more autonomous with the development of artificial intelligence, it is important to discover the causal knowledge from observational sensory inputs. By encoding a series of cause-effect relations between events,…

Machine Learning · Computer Science 2020-01-16 Yuhao Wang , Vlado Menkovski , Hao Wang , Xin Du , Mykola Pechenizkiy

Automated Machine Learning-based systems' integration into a wide range of tasks has expanded as a result of their performance and speed. Although there are numerous advantages to employing ML-based systems, if they are not interpretable,…

Machine Learning · Computer Science 2022-12-08 Ioannis Mollas , Nick Bassiliades , Grigorios Tsoumakas

In spite of the strong performance of machine learning (ML) models in radiology, they have not been widely accepted by radiologists, limiting clinical integration. A key reason is the lack of explainability, which ensures that model…

Human-Computer Interaction · Computer Science 2026-04-14 Sara Ketabi , Matthias W. Wagner , Birgit Betina Ertl-Wagner , Greg A. Jamieson , Farzad Khalvati

Advancements in digital automation for smart grids have led to the installation of measurement devices like phasor measurement units (PMUs), micro-PMUs ($\mu$-PMUs), and smart meters. However, a large amount of data collected by these…

Systems and Control · Electrical Eng. & Systems 2023-09-20 Mehdi Jabbari Zideh , Paroma Chatterjee , Anurag K. Srivastava

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Interpretable entity representations (IERs) are sparse embeddings that are "human-readable" in that dimensions correspond to fine-grained entity types and values are predicted probabilities that a given entity is of the corresponding type.…

Computation and Language · Computer Science 2022-12-06 Diego Garcia-Olano , Yasumasa Onoe , Joydeep Ghosh , Byron C. Wallace

Machine Learning has been applied to pathology images in research and clinical practice with promising outcomes. However, standard ML models often lack the rigorous evaluation required for clinical decisions. Machine learning techniques for…

Image and Video Processing · Electrical Eng. & Systems 2022-04-19 Syed Ashar Javed , Dinkar Juyal , Zahil Shanis , Shreya Chakraborty , Harsha Pokkalla , Aaditya Prakash

Machine learning enables the extraction of useful information from large, diverse datasets. However, despite many successful applications, machine learning continues to suffer from performance and transparency issues. These challenges can…

Machine Learning · Computer Science 2025-07-08 V. C. Storey , J. Parsons , A. Castellanos , M. Tremblay , R. Lukyanenko , W. Maass , A. Castillo

Machine learning is used more and more often for sensitive applications, sometimes replacing humans in critical decision-making processes. As such, interpretability of these algorithms is a pressing need. One popular algorithm to provide…

Machine Learning · Computer Science 2020-01-14 Damien Garreau , Ulrike von Luxburg

The field of efficient Large Language Model (LLM) inference is rapidly evolving, presenting a unique blend of opportunities and challenges. Although the field has expanded and is vibrant, there hasn't been a concise framework that analyzes…

Computation and Language · Computer Science 2024-05-03 Zhihang Yuan , Yuzhang Shang , Yang Zhou , Zhen Dong , Zhe Zhou , Chenhao Xue , Bingzhe Wu , Zhikai Li , Qingyi Gu , Yong Jae Lee , Yan Yan , Beidi Chen , Guangyu Sun , Kurt Keutzer

The relevance of machine learning (ML) in our daily lives is closely intertwined with its explainability. Explainability can allow end-users to have a transparent and humane reckoning of a ML scheme's capability and utility. It will also…

Machine Learning · Computer Science 2022-12-27 Payel Sadhukhan , Sarbani palit , Kausik Sengupta

We propose a measurement framework for difficult-to-access contexts that uses indirect data traces, interpretable machine-learning models, and theory-guided triangulation to fill inaccessible measurement spaces. Many high-stakes systems of…

Machine Learning · Computer Science 2026-02-03 Margaret Foster

Scientific Machine Learning (SciML) is a recently emerged research field which combines physics-based and data-driven models for the numerical approximation of differential problems. Physics-based models rely on the physical understanding…

Numerical Analysis · Mathematics 2025-04-04 Alfio Quarteroni , Paola Gervasio , Francesco Regazzoni

This paper studies the properties of debiased machine learning (DML) estimators under a novel asymptotic framework, offering insights for improving the performance of these estimators in applications. DML is an estimation method suited to…

Econometrics · Economics 2024-11-05 Amilcar Velez

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Machine learning (ML) has become a key tool in astronomy, driving advancements in the analysis and interpretation of complex datasets from observations. This article reviews the application of ML techniques in the identification and…

Solar and Stellar Astrophysics · Physics 2025-03-04 Guangping Li , Zujia Lu , Junzhi Wang , Zhao Wang
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