Related papers: xFODE+: Explainable Type-2 Fuzzy Additive ODEs for…

Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying extrapolation regimes and enabling uncertainty-aware workflows…

Partial differential equation (PDE) simulation holds extensive significance in scientific research. Currently, the integration of deep neural networks to learn solution operators of PDEs has introduced great potential. In this paper, we…

Deep learning-based surrogate models have demonstrated remarkable advantages over classical solvers in terms of speed, often achieving speedups of 10 to 1000 times over traditional partial differential equation (PDE) solvers. However, a…

Uncertainty Quantification (UQ) is crucial for ensuring the reliability of machine learning models deployed in real-world autonomous systems. However, existing approaches typically quantify task-level output prediction uncertainty without…

In principle, deep learning models trained on medical time-series, including wearable photoplethysmography (PPG) sensor data, can provide a means to continuously monitor physiological parameters outside of clinical settings. However, there…

Diffusion models have recently emerged as a potent tool in generative modeling. However, their inherent iterative nature often results in sluggish image generation due to the requirement for multiple model evaluations. Recent progress has…

With the widespread use of machine learning to support decision-making, it is increasingly important to verify and understand the reasons why a particular output is produced. Although post-training feature importance approaches assist this…

Deep learning-based object pose estimators are often unreliable and overconfident especially when the input image is outside the training domain, for instance, with sim2real transfer. Efficient and robust uncertainty quantification (UQ) in…

As applications of deep learning (DL) continue to seep into critical scientific use-cases, the importance of performing uncertainty quantification (UQ) with DL has become more pressing than ever before. In scientific applications, it is…

Determining the reliability of evidence sources is a crucial topic in Dempster-Shafer theory (DST). Previous approaches have addressed high conflicts between evidence sources using discounting methods, but these methods may not ensure the…

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Fusion-in-Decoder (FiD) is a powerful retrieval-augmented language model that sets the state-of-the-art on many knowledge-intensive NLP tasks. However, the architecture used for FiD was chosen by making minimal modifications to a standard…

In this study, we introduce the Fuzzy Additive Model (FAM) and FAM with Explainability (FAME) as a solution for Explainable Artificial Intelligence (XAI). The family consists of three layers: (1) a Projection Layer that compresses the input…

Uncertainty quantification (UQ) is critical for safety-critical domains like healthcare, yet it is rarely evaluated under realistic out-of-distribution (OOD) conditions. Here, we assessed predictive performance and uncertainty reliability…

Inverse design is a central goal in much of science and engineering, including frequency-selective surfaces (FSS) that are critical to microelectronics for telecommunications and optical metamaterials. Traditional surrogate-assisted…

The neural network (NN)-based direct uncertainty quantification (UQ) methods have achieved the state of the art performance since the first inauguration, known as the lower-upper-bound estimation (LUBE) method. However, currently-available…

OOD detection has become more pertinent with advances in network design and increased task complexity. Identifying which parts of the data a given network is misclassifying has become as valuable as the network's overall performance. We can…

Explainable AI (XAI) techniques are increasingly important for the validation and responsible use of modern deep learning models, but are difficult to evaluate due to the lack of good ground-truth to compare against. We propose a framework…

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…

Crucial for building trust in deep learning models for critical real-world applications is efficient and theoretically sound uncertainty quantification, a task that continues to be challenging. Useful uncertainty information is expected to…