Related papers: Understanding with toy surrogate models in machine…

Complex black-box predictive models may have high accuracy, but opacity causes problems like lack of trust, lack of stability, sensitivity to concept drift. On the other hand, interpretable models require more work related to feature…

Surrogate models are data-based approximations of computationally expensive simulations that enable efficient exploration of the model's design space and informed decision-making in many physical domains. The usage of surrogate models in…

Large language models (LLMs), trained on vast datasets, encode extensive real-world knowledge within their parameters, yet their black-box nature obscures the mechanisms and extent of this encoding. Surrogate modeling, which uses simplified…

Supervised Machine Learning (SML) algorithms, such as Gradient Boosting, Random Forest, and Neural Networks, have become popular in recent years due to their superior predictive performance over traditional statistical methods. However,…

Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers.…

Toy models are highly idealized and deliberately simplified models that retain only the essential features of a system in order to explore specific theoretical questions. Long used in physics and other sciences, they have recently begun to…

What is it to interpret the outputs of an opaque machine learning model. One approach is to develop interpretable machine learning techniques. These techniques aim to show how machine learning models function by providing either model…

Adoption and deployment of robotic and autonomous systems in industry are currently hindered by the lack of transparency, required for safety and accountability. Methods for providing explanations are needed that are agnostic to the…

Local surrogate approaches for explaining machine learning model predictions have appealing properties, such as being model-agnostic and flexible in their modelling. Several methods exist that fit this description and share this goal.…

The simulation of complex systems increasingly relies on sophisticated but fundamentally opaque computational black-box simulators. Surrogate models play a central role in reducing the computational cost of complex systems simulations…

Understanding the differences between machine learning (ML) models is of interest in scenarios ranging from choosing amongst a set of competing models, to updating a deployed model with new training data. In these cases, we wish to go…

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Although deep learning has achieved remarkable success in various scientific machine learning applications, its opaque nature poses concerns regarding interpretability and generalization capabilities beyond the training data.…

The interpretability of ML models is important, but it is not clear what it amounts to. So far, most philosophers have discussed the lack of interpretability of black-box models such as neural networks, and methods such as explainable AI…

In machine learning (ML), it is in general challenging to provide a detailed explanation on how a trained model arrives at its prediction. Thus, usually we are left with a black-box, which from a scientific standpoint is not satisfactory.…

Not being able to understand and predict the behavior of deep learning systems makes it hard to decide what architecture and algorithm to use for a given problem. In science and engineering, modeling is a methodology used to understand…

A task of interest in machine learning (ML) is that of ascribing explanations to the predictions made by ML models. Furthermore, in domains deemed high risk, the rigor of explanations is paramount. Indeed, incorrect explanations can and…

Research in Artificial Intelligence (AI) has focused mostly on two extremes: either on small improvements in narrow AI domains, or on universal theoretical frameworks which are usually uncomputable, incompatible with theories of biological…

Surrogate models play a crucial role in retrospectively interpreting complex and powerful black box machine learning models via model distillation. This paper focuses on using model-based trees as surrogate models which partition the…

The past century was era of linear systems. Either systems (especially industrial ones) were simple (quasi)linear or linear approximations were accurate enough. In addition, just at the ending decades of the century profusion of computing…