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Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Machine Learning (ML) has become an integral aspect of many real-world applications. As a result, the need for responsible machine learning has emerged, focusing on aligning ML models to ethical and social values, while enhancing their…

Machine Learning · Computer Science 2024-02-06 Raha Moraffah , Paras Sheth , Saketh Vishnubhatla , Huan Liu

Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

The recently increased complexity of Machine Learning (ML) methods, led to the necessity to lighten both the research and industry development processes. ML pipelines have become an essential tool for experts of many domains, data…

Software Engineering · Computer Science 2022-07-18 Giordano d'Aloisio , Antinisca Di Marco , Giovanni Stilo

There are a variety of choices to be made in both computer algebra systems (CASs) and satisfiability modulo theory (SMT) solvers which can impact performance without affecting mathematical correctness. Such choices are candidates for…

Symbolic Computation · Computer Science 2021-06-17 Dorian Florescu , Matthew England

Purpose: We address the challenge of inaccurate parameter estimation in diffusion MRI when the signal-to-noise ratio (SNR) is very low, as in the spinal cord. The accuracy of conventional maximum-likelihood estimation (MLE) depends highly…

Data visualizations like charts are fundamental tools for quantitative analysis and decision-making across fields, requiring accurate interpretation and mathematical reasoning. The emergence of Multimodal Large Language Models (MLLMs)…

Artificial Intelligence · Computer Science 2025-08-26 Anku Rani , Aparna Garimella , Apoorv Saxena , Balaji Vasan Srinivasan , Paul Pu Liang

Recent advancements in large language models (LLMs) have shown promise in feature engineering for tabular data, but concerns about their reliability persist, especially due to variability in generated outputs. We introduce a multi-level…

Machine Learning · Computer Science 2025-10-01 Yebin Lim , Susik Yoon

Deep learning models have gained great popularity in statistical modeling because they lead to very competitive regression models, often outperforming classical statistical models such as generalized linear models. The disadvantage of deep…

Machine Learning · Computer Science 2021-07-26 Ronald Richman , Mario V. Wüthrich

The exponential growth in the number of complex datasets every year requires more enhancement in machine learning methods to provide robust and accurate data classification. Lately, deep learning approaches have achieved surpassing results…

Machine Learning · Computer Science 2018-10-22 Mojtaba Heidarysafa , Kamran Kowsari , Donald E. Brown , Kiana Jafari Meimandi , Laura E. Barnes

This paper examines two different yet related questions related to explainable AI (XAI) practices. Machine learning (ML) is increasingly important in financial services, such as pre-approval, credit underwriting, investments, and various…

Machine Learning · Computer Science 2022-09-21 Swati Tyagi

Explaining complex or seemingly simple machine learning models is an important practical problem. We want to explain individual predictions from a complex machine learning model by learning simple, interpretable explanations. Shapley values…

Machine Learning · Statistics 2020-02-07 Kjersti Aas , Martin Jullum , Anders Løland

Despite the improvements in perception accuracies brought about via deep learning, developing systems combining accurate visual perception with the ability to reason over the visual percepts remains extremely challenging. A particular…

Computer Vision and Pattern Recognition · Computer Science 2019-11-22 Monika Sharma , Shikha Gupta , Arindam Chowdhury , Lovekesh Vig

Understanding charts requires models to jointly reason over geometric visual patterns, structured numerical data, and natural language -- a capability where current vision-language models (VLMs) remain limited. We introduce ChartNet, a…

There is a growing trend of applying machine learning methods to medical datasets in order to predict patients' future status. Although some of these methods achieve high performance, challenges still exist in comparing and evaluating…

Medical Physics · Physics 2020-03-25 Yiran Li , Takanori Fujiwara , Yong K. Choi , Katherine K. Kim , Kwan-Liu Ma

The use of machine learning (ML) in high-stakes societal decisions has encouraged the consideration of fairness throughout the ML lifecycle. Although data integration is one of the primary steps to generate high quality training data, most…

Machine Learning · Computer Science 2022-04-01 Sainyam Galhotra , Karthikeyan Shanmugam , Prasanna Sattigeri , Kush R. Varshney

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

Saliency maps can explain a neural model's predictions by identifying important input features. They are difficult to interpret for laypeople, especially for instances with many features. In order to make them more accessible, we formalize…

Computation and Language · Computer Science 2023-06-08 Nils Feldhus , Leonhard Hennig , Maximilian Dustin Nasert , Christopher Ebert , Robert Schwarzenberg , Sebastian Möller

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

Vision-Language Models (VLMs) have shown promise in generating plotting code from chart images, yet achieving structural fidelity remains challenging. Existing approaches largely rely on supervised fine-tuning, encouraging surface-level…

Computer Vision and Pattern Recognition · Computer Science 2026-02-12 Minggui He , Mingchen Dai , Jian Zhang , Yilun Liu , Shimin Tao , Pufan Zeng , Osamu Yoshie , Yuya Ieiri