相关论文: A KAN-based Interpretable Framework for Process-In…

Multi-model ensemble analysis integrates information from multiple climate models into a unified projection. However, existing integration approaches based on model averaging can dilute fine-scale spatial information and incur bias from…

The demand for high-resolution information on climate change is critical for accurate projections and decision-making. Presently, this need is addressed through high-resolution climate models or downscaling. High-resolution models are…

Trust and credibility in machine learning models is bolstered by the ability of a model to explain itsdecisions. While explainability of deep learning models is a well-known challenge, a further chal-lenge is clarity of the explanation…

Sub-seasonal weather forecasts are becoming increasingly important for a range of socio-economic activities. However, the predictive ability of physical weather models is very limited on these time scales. We propose several post-processing…

Kolmogorov-Arnold Networks (KANs) have been recently proposed as a machine learning framework that is more interpretable and controllable than the multi-layer perceptron. Various network architectures have been proposed within the KAN…

To address the challenge of tractability for optimizing mathematical models in science and engineering, surrogate models are often employed. Recently, a new class of machine learning models named Kolmogorov Arnold Networks (KANs) have been…

As the foundation of current natural language processing methods, pre-trained language model has achieved excellent performance. However, the black-box structure of the deep neural network in pre-trained language models seriously limits the…

Deep learning algorithms are growing in popularity in the field of exoplanetary science due to their ability to model highly non-linear relations and solve interesting problems in a data-driven manner. Several works have attempted to…

This paper introduces a novel application of Kolmogorov-Arnold Networks (KANs) to time series forecasting, leveraging their adaptive activation functions for enhanced predictive modeling. Inspired by the Kolmogorov-Arnold representation…

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability.…

Due to their black-box and data-hungry nature, deep learning techniques are not yet widely adopted for real-world applications in critical domains, like healthcare and justice. This paper presents Memory Wrap, a plug-and-play extension to…

In this paper, we present a novel framework for enhancing model interpretability by integrating heatmaps produced separately by ResNet and a restructured 2D Transformer with globally weighted input saliency. We address the critical problem…

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Weather forecasting is critical for a range of human activities including transportation, agriculture, industry, as well as the safety of the general public. Machine learning models have the potential to transform the complex weather…

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Beyond improving trust and validating model fairness, xAI practices also have the potential to recover valuable scientific insights in application domains where little to no prior human intuition exists. To that end, we propose a method to…

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Lattice thermal conductivity ($\kappa_L$) is crucial for efficient thermal management in electronics and energy conversion technologies. Traditional methods for predicting \k{appa}L are often computationally expensive, limiting their…

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine learned potentials are becoming a popular tool to define an effective energy model for complex systems, either incorporating electronic structure effects at the atomistic resolution, or effectively renormalizing part of the…