相关论文: End-to-end AI framework for interpretable predicti…

This paper introduces a novel convolutional neural networks (CNN) framework tailored for end-to-end audio deep learning models, presenting advancements in efficiency and explainability. By benchmarking experiments on three standard speech…

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

The rapid advancement of Artificial Intelligence (AI) has created unprecedented demands for computational power, yet methods for evaluating the performance, efficiency, and environmental impact of deployed models remain fragmented. Current…

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Machine learning has revolutionized many fields, including materials science. However, predicting properties of crystalline materials using machine learning faces challenges in input encoding, output versatility, and interpretability. We…

The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery, an evaluation framework for ML energy models, applied as…

Deep learning techniques have been proven to provide excellent performance for a variety of high-energy physics applications, such as particle identification, event reconstruction and trigger operations. Recently, we developed an end-to-end…

Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in…

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…

This paper introduces a novel end-to-end framework that efficiently integrates data quality assessment with machine learning (ML) model operations in real-time production environments. While existing approaches treat data quality assessment…

Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking…

As AI systems grow more capable, it becomes increasingly important that their decisions remain understandable and aligned with human expectations. A key challenge is the limited interpretability of deep models. Post-hoc methods like GradCAM…

Topologically interlocking architectures can generate tough ceramics with attractive thermo-mechanical properties. This concept can make the material design pathway a challenging task, since modeling the whole design space is neither…

As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

We introduce the elEmBERT model for chemical classification tasks. It is based on deep learning techniques, such as a multilayer encoder architecture. We demonstrate the opportunities offered by our approach on sets of organic, inorganic…

Text recognition in natural images remains a challenging yet essential task, with broad applications spanning computer vision and natural language processing. This paper introduces a novel end-to-end framework that combines ResNet and…

Molecular communication (MC) provides a foundational framework for information transmission in the Internet of Bio-Nano Things (IoBNT), where efficiency and reliability are crucial. However, the inherent limitations of molecular channels,…

Predicting material properties base on micro structure of materials has long been a challenging problem. Recently many deep learning methods have been developed for material property prediction. In this study, we propose a crystal…