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Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Researchers have proposed a variety of predictive business process monitoring (PBPM) techniques aiming to predict future process behaviour during the process execution. Especially, techniques for the next activity prediction anticipate…

Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key…

The application of Bayesian Neural Networks(BNN) to discriminate neutrino events from backgrounds in reactor neutrino experiments has been described in Ref.\cite{key-1}. In the paper, BNN are also used to identify neutrino events in reactor…

Deep neural networks (DNN) can achieve high performance when applied to In-Distribution (ID) data which come from the same distribution as the training set. When presented with anomaly inputs not from the ID, the outputs of a DNN should be…

Due to a high rate of overall data generation relative to data generation of interest, the CMS experiment at the Large Hadron Collider uses a combination of hardware- and software-based triggers to select data for capture. Accurate momentum…

Within-frequency coupling (WFC) and cross-frequency coupling (CFC) in brain networks reflect neural synchronization within the same frequency band and cross-band oscillatory interactions, respectively. Their synergy provides a comprehensive…

In this work we propose Pathfinder Discovery Networks (PDNs), a method for jointly learning a message passing graph over a multiplex network with a downstream semi-supervised model. PDNs inductively learn an aggregated weight for each edge,…

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity)…

Modeling and simulating a power distribution network (PDN) for printed circuit boards (PCBs) with irregular board shapes and multi-layer stackup is computationally inefficient using full-wave simulations. This paper presents a new concept…

Learning useful node and graph representations with graph neural networks (GNNs) is a challenging task. It is known that deep GNNs suffer from over-smoothing where, as the number of layers increases, node representations become nearly…

Understanding the black-box representations in Deep Neural Networks (DNN) is an essential problem in deep learning. In this work, we propose Graph-Based Similarity (GBS) to measure the similarity of layer features. Contrary to previous…

Generalized Spatial Modulation (GSM) is being considered for high capacity and energy-efficient networks of the future. However, signal detection due to inter-channel interference among the active antennas is a challenge in GSM systems and…

Deep Neural Networks (DNNs) are widely used for traffic sign recognition because they can automatically extract high-level features from images. These DNNs are trained on large-scale datasets obtained from unknown sources. Therefore, it is…

Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Gradient-based meta-learning (GBML) with deep neural nets (DNNs) has become a popular approach for few-shot learning. However, due to the non-convexity of DNNs and the bi-level optimization in GBML, the theoretical properties of GBML with…

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

A deep neural network (DNN) that can reliably model muscle responses from corresponding brain stimulation has the potential to increase knowledge of coordinated motor control for numerous basic science and applied use cases. Such cases…

Deep neural networks (DNNs) have achieved superior performance in various prediction tasks, but can be very vulnerable to adversarial examples or perturbations. Therefore, it is crucial to measure the sensitivity of DNNs to various forms of…