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Complex black-box predictive models may have high performance, but lack of interpretability causes problems like lack of trust, lack of stability, sensitivity to concept drift. On the other hand, achieving satisfactory accuracy of…

Machine Learning · Computer Science 2020-02-12 Alicja Gosiewska , Przemyslaw Biecek

Through extensive experience developing and explaining machine learning (ML) applications for real-world domains, we have learned that ML models are only as interpretable as their features. Even simple, highly interpretable model types such…

Machine Learning · Computer Science 2022-02-25 Alexandra Zytek , Ignacio Arnaldo , Dongyu Liu , Laure Berti-Equille , Kalyan Veeramachaneni

Modern machine learning models are opaque, and as a result there is a burgeoning academic subfield on methods that explain these models' behavior. However, what is the precise goal of providing such explanations, and how can we demonstrate…

Machine Learning · Computer Science 2022-12-01 Patrick Fernandes , Marcos Treviso , Danish Pruthi , André F. T. Martins , Graham Neubig

Machine learning is often viewed as an inherently value-neutral process: statistical tendencies in the training inputs are "simply" used to generalize to new examples. However when models impact social systems such as interactions between…

Computers and Society · Computer Science 2019-08-21 Ben Hutchinson , KJ Pittl , Margaret Mitchell

Large language models (LLMs) have demonstrated impressive performance on natural language tasks, but their decision-making processes remain largely opaque. Existing explanation methods either suffer from limited faithfulness to the model's…

Computation and Language · Computer Science 2025-06-03 Bowen Wei , Mehrdad Fazli , Ziwei Zhu

Neural networks often pack many unrelated concepts into a single neuron - a puzzling phenomenon known as 'polysemanticity' which makes interpretability much more challenging. This paper provides a toy model where polysemanticity can be…

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

Machine learning (ML) has seen significant growth in both popularity and importance. The high prediction accuracy of ML models is often achieved through complex black-box architectures that are difficult to interpret. This interpretability…

Machine Learning · Statistics 2024-07-29 David Köhler , David Rügamer , Matthias Schmid

Complex machine learning models are deployed in several critical domains including healthcare and autonomous vehicles nowadays, albeit as functional black boxes. Consequently, there has been a recent surge in interpreting decisions of such…

Artificial Intelligence · Computer Science 2021-01-20 Zijian Zhang , Jaspreet Singh , Ujwal Gadiraju , Avishek Anand

Many problems in computer vision have recently been tackled using models whose predictions cannot be easily interpreted, most commonly deep neural networks. Surrogate explainers are a popular post-hoc interpretability method to further…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Ricardo Kleinlein , Alexander Hepburn , Raúl Santos-Rodríguez , Fernando Fernández-Martínez

Systems Biology has emerged in the last years as a new holistic approach based on the global understanding of cells instead of only being focused on their individual parts (genes or proteins), to better understand the complexity of human…

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Machine Learning · Statistics 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

Recent efforts in Machine Learning (ML) interpretability have focused on creating methods for explaining black-box ML models. However, these methods rely on the assumption that simple approximations, such as linear models or decision-trees,…

Machine Learning · Computer Science 2019-06-13 Owen Lahav , Nicholas Mastronarde , Mihaela van der Schaar

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

The rapid evolution of machine learning (ML) has led to the widespread adoption of complex "black box" models, such as deep neural networks and ensemble methods. These models exhibit exceptional predictive performance, making them…

Machine Learning · Computer Science 2025-03-28 Moncef Garouani , Josiane Mothe , Ayah Barhrhouj , Julien Aligon

Simulation models are an absolute necessity in the human and social sciences, which can only very exceptionally use experimental science methods to construct their knowledge. Models enable the simulation of social processes by replacing the…

Computers and Society · Computer Science 2020-01-06 J. Raimbault , D. Pumain

Machine Learning (ML) is increasingly used to construct surrogate models for physical simulations. We take advantage of the ability to generate data using numerical simulations programs to train ML models better and achieve accuracy gain…

Computational Physics · Physics 2021-01-29 Paul Novello , Gaël Poëtte , David Lugato , Pietro Congedo

Predictions obtained by, e.g., artificial neural networks have a high accuracy but humans often perceive the models as black boxes. Insights about the decision making are mostly opaque for humans. Particularly understanding the decision…

Machine Learning · Computer Science 2021-01-21 Nadia Burkart , Marco F. Huber

Theoretical physics is used for a toy model of molecular biology to assess conditions that lead to the edge of chaos (EOC) in a network of biomolecules. Results can enhance our ability to understand complex diseases and their treatment or…

Molecular Networks · Quantitative Biology 2007-05-23 S. Bumble

The concept of world models has garnered significant attention due to advancements in multimodal large language models such as GPT-4 and video generation models such as Sora, which are central to the pursuit of artificial general…