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In a recent work [Reible et al., Phys. Rev. Res. 5, 023156, 2023], it has been shown that the mean particle-particle interaction across an ideal surface that divides a system into two parts, can be employed to estimate the size dependence…

Statistical Mechanics · Physics 2024-01-25 Luigi Delle Site , Carsten Hartmann

Machine learning models that predict the feasibility of chemical reactions have become central to automated synthesis planning. Despite their predictive success, these models often lack transparency and interpretability. We introduce a…

Machine Learning · Computer Science 2025-10-13 Klaus Weinbauer , Tieu-Long Phan , Peter F. Stadler , Thomas Gärtner , Sagar Malhotra

As opaque decision systems are being increasingly adopted in almost any application field, issues about their lack of transparency and human readability are a concrete concern for end-users. Amongst existing proposals to associate…

Artificial Intelligence · Computer Science 2022-11-02 Federico Sabbatini , Roberta Calegari

Interpretable and explainable machine learning has seen a recent surge of interest. We focus on safety as a key motivation behind the surge and make the relationship between interpretability and safety more quantitative. Toward assessing…

Machine Learning · Computer Science 2022-11-04 Dennis Wei , Rahul Nair , Amit Dhurandhar , Kush R. Varshney , Elizabeth M. Daly , Moninder Singh

Deep learning has achieved remarkable success in jet classification tasks, yet a key challenge remains: understanding what these models learn and how their features relate to known QCD observables. Improving interpretability is essential…

High Energy Physics - Phenomenology · Physics 2026-03-31 Partha Konar , Vishal S. Ngairangbam , Michael Spannowsky , Deepanshu Srivastava

Scale variation is a deep-rooted problem in object counting, which has not been effectively addressed by existing scale-aware algorithms. An important factor is that they typically involve cooperative learning across multi-resolutions,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Tao Han , Lei Bai , Lingbo Liu , Wanli Ouyang

Quantum scale estimation, as introduced and explored here, establishes the most precise framework for the estimation of scale parameters that is allowed by the laws of quantum mechanics. This addresses an important gap in quantum metrology,…

Quantum Physics · Physics 2022-11-18 Jesús Rubio

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought…

Artificial Intelligence · Computer Science 2019-02-05 Leilani H. Gilpin , David Bau , Ben Z. Yuan , Ayesha Bajwa , Michael Specter , Lalana Kagal

Interpretable machine learning techniques are becoming essential tools for extracting physical insights from complex quantum data. We build on recent advances in variational autoencoders to demonstrate that such models can learn physically…

The potential of Machine Learning Control (MLC) in HVAC systems is hindered by its opaque nature and inference mechanisms, which is challenging for users and modelers to fully comprehend, ultimately leading to a lack of trust in MLC-based…

Artificial Intelligence · Computer Science 2024-11-18 Liang Zhang , Zhelun Chen

Recent advances in autonomous robotic technologies have highlighted the growing need for precise environmental analysis. LiDAR semantic segmentation has gained attention to accomplish fine-grained scene understanding by acting directly on…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Elena Camuffo , Umberto Michieli , Simone Milani

As machine learning becomes an important part of many real world applications affecting human lives, new requirements, besides high predictive accuracy, become important. One important requirement is transparency, which has been associated…

Machine Learning · Computer Science 2019-08-01 Tiago Botari , Rafael Izbicki , Andre C. P. L. F. de Carvalho

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Can a scientific simulation system be physically consistent, interpretable by design, and scalable across regimes--all at once? Despite decades of progress, this trifecta remains elusive. Classical methods like Kinetic Monte Carlo ensure…

Artificial Intelligence · Computer Science 2025-07-02 Qi Li , Kun Li , Haozhi Han , Honghui Shang , Xinfu He , Yunquan Zhang , Hong An , Ting Cao , Mao Yang

Machine learning models have become more and more complex in order to better approximate complex functions. Although fruitful in many domains, the added complexity has come at the cost of model interpretability. The once popular k-nearest…

A scoring system is a simple decision model that checks a set of features, adds a certain number of points to a total score for each feature that is satisfied, and finally makes a decision by comparing the total score to a threshold.…

Machine Learning · Computer Science 2024-08-01 Jonas Hanselle , Stefan Heid , Johannes Fürnkranz , Eyke Hüllermeier

Inference and learning of graphical models are both well-studied problems in statistics and machine learning that have found many applications in science and engineering. However, exact inference is intractable in general graphical models,…

Machine Learning · Statistics 2010-11-16 Jason K. Johnson , Praneeth Netrapalli , Michael Chertkov

Explainable machine learning offers the potential to provide stakeholders with insights into model behavior by using various methods such as feature importance scores, counterfactual explanations, or influential training data. Yet there is…

Exposure assessment is fundamental to air pollution cohort studies. The objective is to predict air pollution exposures for study subjects at locations without data in order to optimize our ability to learn about health effects of air…

Applications · Statistics 2024-06-05 Si Cheng , Magali N. Blanco , Lianne Sheppard , Ali Shojaie , Adam Szpiro

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