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Augmentation by generative modelling yields a promising alternative to the accumulation of surgical data, where ethical, organisational and regulatory aspects must be considered. Yet, the joint synthesis of (image, mask) pairs for…

State-of-the-art Style Transfer methods often leverage pre-trained encoders optimized for discriminative tasks, which may not be ideal for image synthesis. This can result in significant artifacts and loss of photorealism. Motivated by the…

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Sparse matrix-vector multiplication (SpMV) plays a vital role in various scientific and engineering fields, from scientific computing to machine learning. Traditional general-purpose processors often fall short of their peak performance…

In this work, we present methodologies for the quantification of confidence in bottom-up coarse-grained models for molecular and macromolecular systems. Coarse-graining methods have been extensively used in the past decades in order to…

This paper studies the utility of techniques within uncertainty quantification, namely spectral projection and polynomial chaos expansion, in reducing sampling needs for characterizing acoustic metamaterial dispersion band responses given…

Evaluating uncertainty is critical for reliable use of Mobile Laser Scanning (MLS) point clouds in many high-precision applications such as Scan-to-BIM, deformation analysis, and 3D modeling. However, obtaining the ground truth (GT) for…

Metamaterials are artificial materials that are designed to meet unseen properties in nature, such as ultra-stiffness and negative materials indices. In mechanical metamaterial design, three key modalities are typically involved, i.e., 3D…

Machine learning classifiers are probabilistic in nature, and thus inevitably involve uncertainty. Predicting the probability of a specific input to be correct is called uncertainty (or confidence) estimation and is crucial for risk…

Overcoming the challenge of limited data availability within materials science is crucial for the broad-based applicability of machine learning within materials science. One pathway to overcome this limited data availability is to use the…

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials.…

Digital twins of complex physical systems are expected to infer unobserved states from sparse measurements and predict their evolution in time, yet these two functions are typically treated as separate tasks. Here we present GLU, a…

Self-training is an important class of unsupervised domain adaptation (UDA) approaches that are used to mitigate the problem of domain shift, when applying knowledge learned from a labeled source domain to unlabeled and heterogeneous target…

Generating executable CAD programs from images requires alignment between visual geometry and symbolic program representations, a capability that current methods fail to learn reliably as design complexity increases. Existing fine-tuning…

Phase change materials such as Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) are ideal candidates for next-generation, non-volatile, solid-state memory due to the ability to retain binary data in the amorphous and crystal phases, and rapidly transition…

Text guided diffusion models are used by millions of users, but can be easily exploited to produce harmful content. Concept unlearning methods aim at reducing the models' likelihood of generating harmful content. Traditionally, this has…

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…

Quantization has become a predominant approach for model compression, enabling deployment of large models trained on GPUs onto smaller form-factor devices for inference. Quantization-aware training (QAT) optimizes model parameters with…

Multimodal learning has demonstrated incredible successes by integrating diverse data sources, yet it often relies on the availability of all modalities - an assumption that rarely holds in real-world applications. Pretrained multimodal…