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We derive a new margin-based regularization formulation, termed multi-margin regularization (MMR), for deep neural networks (DNNs). The MMR is inspired by principles that were applied in margin analysis of shallow linear classifiers, e.g.,…

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

Segmentation architectures are typically benchmarked on single imaging modalities, obscuring deployment-relevant performance variations: an architecture optimal for one modality may underperform on another. We present a cross-modal…

A major challenge in the pharmaceutical industry is to design novel molecules with specific desired properties, especially when the property evaluation is costly. Here, we propose MNCE-RL, a graph convolutional policy network for molecular…

Glioblastoma is profoundly heterogeneous in microstructure and vasculature, which may lead to tumor regional diversity and distinct treatment response. Although successful in tumor sub-region segmentation and survival prediction, radiomics…

Training 1-bit deep convolutional neural networks (DCNNs) is one of the most challenging problems in computer vision, because it is much easier to get trapped into local minima than conventional DCNNs. The reason lies in that the binarized…

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Model selection when designing deep learning systems for specific use-cases can be a challenging task as many options exist and it can be difficult to know the trade-off between them. Therefore, we investigate a number of state of the art…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

With the development of steel materials, metallographic analysis has become increasingly important. Unfortunately, grain size analysis is a manual process that requires experts to evaluate metallographic photographs, which is unreliable and…

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric…

This paper presents a deep learning-based de-homogenization method for structural compliance minimization. By using a convolutional neural network to parameterize the mapping from a set of lamination parameters on a coarse mesh to a…

The research and development cycle of advanced manufacturing processes traditionally requires a large investment of time and resources. Experiments can be expensive and are hence conducted on relatively small scales. This poses problems for…

This work presents and analyzes three convolutional neural network (CNN) models for efficient pixelwise classification of images. When using convolutional neural networks to classify single pixels in patches of a whole image, a lot of…

This paper discusses an optimization method called Modified Bee Colony algorithm (MBC) based on a particular intelligent behavior of honeybee swarms. The algorithm was checked in a few benchmarks like Shekel, Rozenbroke, Himmelblau and…

This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…

A framework previously introduced in [3] for solving a sequence of stochastic optimization problems with bounded changes in the minimizers is extended and applied to machine learning problems such as regression and classification. The…

The grain boundary (GB) energy has a profound influence on the grain growth and properties of polycrystalline metals. Here, we show that the energy of a GB, normalized by the bulk cohesive energy, can be described purely by four geometric…

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Differentiating signals from the background in micrographs is a critical initial step for cryogenic electron microscopy (cryo-EM), yet it remains laborious due to low signal-to-noise ratio (SNR), the presence of contaminants and densely…