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Introduction: Machine learning provides fundamental tools both for scientific research and for the development of technologies with significant impact on society. It provides methods that facilitate the discovery of regularities in data and…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
A new approach to maximum likelihood learning of discrete graphical models and RBM in particular is introduced. Our method, Perturb and Descend (PD) is inspired by two ideas (I) perturb and MAP method for sampling (II) learning by…
Advanced machine learning models have recently achieved high predictive accuracy for weather and climate prediction. However, these complex models often lack inherent transparency and interpretability, acting as "black boxes" that impede…
We present a framework for cosmological model selection using Neural Networks (NNs) trained directly on simulated Cosmic Microwave Background (CMB) temperature and polarisation maps. By operating at the map level rather than on compressed…
Perception algorithms that provide estimates of their uncertainty are crucial to the development of autonomous robots that can operate in challenging and uncontrolled environments. Such perception algorithms provide the means for having…
Atmospheric retrieval of exoplanets from spectroscopic observations requires an extensive exploration of a highly degenerate and high-dimensional parameter space to accurately constrain atmospheric parameters. Retrieval methods commonly…
Rapid advances in perception have enabled large pre-trained models to be used out of the box for transforming high-dimensional, noisy, and partial observations of the world into rich occupancy representations. However, the reliability of…
Transit timing variations - deviations from strict periodicity between successive passages of a transiting planet - can be used to probe the structure and dynamics of multiple-planet systems. In this paper, we examine prospects for…
Time-correlated noise is a significant source of uncertainty when modeling exoplanet light-curve data. A correct assessment of correlated noise is fundamental to determine the true statistical significance of our findings. Here we review…
Perturbation-based explanations are widely utilized to enhance the transparency of machine-learning models in practice. However, their reliability is often compromised by the unknown model behavior under the specific perturbations used.…
The adoption of Deep Neural Networks (DNNs) in critical fields where predictions need to be accompanied by justifications is hindered by their inherent black-box nature. In this paper, we introduce P-TAME (Perturbation-based Trainable…
Interpretable Machine Learning faces a recurring challenge of explaining the predictions made by opaque classifiers such as ensemble models, kernel methods, or neural networks in terms that are understandable to humans. When the model is…
We introduce Matched Machine Learning, a framework that combines the flexibility of machine learning black boxes with the interpretability of matching, a longstanding tool in observational causal inference. Interpretability is paramount in…
Ensuring trustworthiness in open-world visual recognition requires models that are interpretable, fair, and robust to distribution shifts. Yet modern vision systems are increasingly deployed as proprietary black-box APIs, exposing only…
Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…
In the context of human-in-the-loop Machine Learning applications, like Decision Support Systems, interpretability approaches should provide actionable insights without making the users wait. In this paper, we propose Accelerated…
Perturbation-based post-hoc image explanation methods are commonly used to explain image prediction models. These methods perturb parts of the input to measure how those parts affect the output. Since the methods only require the input and…
Human Activity Recognition using time-series data from wearable sensors poses unique challenges due to complex temporal dependencies, sensor noise, placement variability, and diverse human behaviors. These factors, combined with the…
This study explores the application of autoencoder-based machine learning techniques for anomaly detection to identify exoplanet atmospheres with unconventional chemical signatures using a low-dimensional data representation. We use the…