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The field of machine learning is subject to an increasing interest in models that are not only accurate but also interpretable and robust, thus allowing their end users to understand and trust AI systems. This paper presents a novel method…

Machine Learning · Computer Science 2026-04-24 Valentin Lemaire , Gaël Aglin , Siegfried Nijssen

The dynamics of neuron populations commonly evolve on low-dimensional manifolds. Thus, we need methods that learn the dynamical processes over neural manifolds to infer interpretable and consistent latent representations. We introduce a…

Machine Learning · Computer Science 2025-01-31 Adam Gosztolai , Robert L. Peach , Alexis Arnaudon , Mauricio Barahona , Pierre Vandergheynst

Data-driven models are central to scientific discovery. In efforts to achieve state-of-the-art model accuracy, researchers are employing increasingly complex machine learning algorithms that often outperform simple regressions in…

Materials Science · Physics 2022-12-21 Eric S. Muckley , James E. Saal , Bryce Meredig , Christopher S. Roper , John H. Martin

Decision trees (DTs) epitomize the ideal of interpretability of machine learning (ML) models. The interpretability of decision trees motivates explainability approaches by so-called intrinsic interpretability, and it is at the core of…

Artificial Intelligence · Computer Science 2022-10-04 Yacine Izza , Alexey Ignatiev , Joao Marques-Silva

Neural machine translation (NMT) models are typically trained with fixed-size input and output vocabularies, which creates an important bottleneck on their accuracy and generalization capability. As a solution, various studies proposed…

Computation and Language · Computer Science 2018-05-08 Duygu Ataman , Marcello Federico

Large language models (LLMs) excel at semantic understanding, yet their ability to reconstruct internal structure from scrambled inputs remains underexplored. Sentence-level restoration is ill-posed for automated evaluation because multiple…

While a real-world research program in mathematics may be guided by a motivating question, the process of mathematical discovery is typically open-ended. Ideally, exploration needed to answer the original question will reveal new…

Machine Learning · Computer Science 2026-01-30 Henry Kvinge , Andrew Aguilar , Nayda Farnsworth , Grace O'Brien , Robert Jasper , Sarah Scullen , Helen Jenne

OthelloGPT, a transformer trained to predict valid moves in Othello, provides an ideal testbed for interpretability research. The model is complex enough to exhibit rich computational patterns, yet grounded in rule-based game logic that…

Machine Learning · Computer Science 2025-11-04 Aditya Singh , Zihang Wen , Srujananjali Medicherla , Adam Karvonen , Can Rager

On the one hand, artificial neural networks (ANNs) are commonly labelled as black-boxes, lacking interpretability; an issue that hinders human understanding of ANNs' behaviors. A need exists to generate a meaningful sequential logic of the…

Machine Learning · Computer Science 2021-11-19 Duy T. Nguyen , Kathryn E. Kasmarik , Hussein A. Abbass

To learn about real world phenomena, scientists have traditionally used models with clearly interpretable elements. However, modern machine learning (ML) models, while powerful predictors, lack this direct elementwise interpretability (e.g.…

Machine Learning · Statistics 2024-07-16 Timo Freiesleben , Gunnar König , Christoph Molnar , Alvaro Tejero-Cantero

Deep neural networks are widely used in practical applications of AI, however, their inner structure and complexity made them generally not easily interpretable. Model transparency and interpretability are key requirements for multiple…

Machine Learning · Computer Science 2026-01-13 Luca Bergamin , Roberto Confalonieri , Fabio Aiolli

Rule-based models offer interpretability but struggle with complex data, while deep neural networks excel in performance yet lack transparency. This work investigates a neuro-symbolic rule learning neural network named RL-Net that learns…

Machine Learning · Computer Science 2025-07-01 Sarah Seifi , Tobias Sukianto , Cecilia Carbonelli , Lorenzo Servadei , Robert Wille

Automated mathematical reasoning is a challenging problem that requires an agent to learn algebraic patterns that contain long-range dependencies. Two particular tasks that test this type of reasoning are (1) mathematical equation…

Machine Learning · Computer Science 2021-04-08 Ankur Mali , Alexander Ororbia , Daniel Kifer , C. Lee Giles

We present a brief history of the field of interpretable machine learning (IML), give an overview of state-of-the-art interpretation methods, and discuss challenges. Research in IML has boomed in recent years. As young as the field is, it…

Machine Learning · Statistics 2022-01-24 Christoph Molnar , Giuseppe Casalicchio , Bernd Bischl

Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing model-centric…

Chemical Physics · Physics 2023-09-29 Dingshuo Chen , Yanqiao Zhu , Jieyu Zhang , Yuanqi Du , Zhixun Li , Qiang Liu , Shu Wu , Liang Wang

Recent advancements in machine learning (ML) are transforming the field of structural biology. For example, AlphaFold, a groundbreaking neural network for protein structure prediction, has been widely adopted by researchers. The…

We propose and study a method for learning interpretable representations for the task of regression. Features are represented as networks of multi-type expression trees comprised of activation functions common in neural networks in addition…

Neural and Evolutionary Computing · Computer Science 2019-03-26 William La Cava , Tilak Raj Singh , James Taggart , Srinivas Suri , Jason H. Moore

This paper reviews recent studies in understanding neural-network representations and learning neural networks with interpretable/disentangled middle-layer representations. Although deep neural networks have exhibited superior performance…

Computer Vision and Pattern Recognition · Computer Science 2018-02-08 Quanshi Zhang , Song-Chun Zhu

Decision Trees have remained a popular machine learning method for tabular datasets, mainly due to their interpretability. However, they lack the expressiveness needed to handle highly nonlinear or unstructured datasets. Motivated by recent…

Machine Learning · Computer Science 2024-10-30 Dimitris Bertsimas , Lisa Everest , Jiayi Gu , Matthew Peroni , Vasiliki Stoumpou

One obstacle that so far prevents the introduction of machine learning models primarily in critical areas is the lack of explainability. In this work, a practicable approach of gaining explainability of deep artificial neural networks (NN)…

Machine Learning · Computer Science 2019-10-07 Nina Schaaf , Marco F. Huber , Johannes Maucher
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