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Link prediction, as a frontier task in complex network topology analysis, aims to infer the existence of latent links between node pairs based on observed nodes and structural information. We propose an ensemble link prediction model that…
Aligning two partially-overlapped 3D line reconstructions in Euclidean space is challenging, as we need to simultaneously solve correspondences and relative pose between line reconstructions. This paper proposes a neural network based…
Solving large-scale Mixed Integer Programs (MIP) can be difficult without advanced algorithms such as decomposition based techniques. Even if a decomposition technique might be appropriate, there are still many possible decompositions for…
When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collected spectra to identify the molecule. While popular, this…
Neural networks are complex functions of both their inputs and parameters. Much prior work in deep learning theory analyzes the distribution of network outputs at a fixed a set of inputs (e.g. a training dataset) over random initializations…
In this paper we investigate the performance of different machine learning potentials (MLPs) in predicting key thermodynamic properties of water using RPBE+D3. Specifically, we scrutinize kernel-based regression and high-dimensional neural…
In Bayesian multilevel models, the data are structured in interconnected groups, and their posteriors borrow information from one another due to prior dependence between latent parameters. However, little is known about the behaviour of the…
Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…
In this paper we describe a probabilistic method for estimating the position of an object along with its covariance matrix using neural networks. Our method is designed to be robust to outliers, have bounded gradients with respect to the…
This work proposes an algorithm for explicitly constructing a pair of neural networks that linearize and reconstruct an embedded submanifold, from finite samples of this manifold. Our such-generated neural networks, called Flattening…
This paper introduces a novel decision-making framework that promotes consistency among decisions made by diverse models while utilizing external knowledge. Leveraging the Integer Linear Programming (ILP) framework, we map predictions from…
Recently, considerable attention has been devoted to the prediction problems arising from heterogeneous information networks. In this paper, we present a new prediction task, Neighbor Distribution Prediction (NDP), which aims at predicting…
Polymer nanocomposites (PNCs) offer a broad range of thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property relation of PNCs due to their enormous…
Deep neural networks have usually to be compressed and accelerated for their usage in low-power, e.g. mobile, devices. Recently, massively-parallel hardware accelerators were developed that offer high throughput and low latency at low power…
In the emerging field of mechanical metamaterials, using periodic lattice structures as a primary ingredient is relatively frequent. However, the choice of aperiodic lattices in these structures presents unique advantages regarding failure,…
This work addresses the inverse identification of apparent elastic properties of random heterogeneous materials using machine learning based on artificial neural networks. The proposed neural network-based identification method requires the…
Edge inference techniques partition and distribute Deep Neural Network (DNN) inference tasks among multiple edge nodes for low latency inference, without considering the core-level heterogeneity of edge nodes. Further, default DNN inference…
Multiparameter persistent homology has been largely neglected as an input to machine learning algorithms. We consider the use of lattice-based convolutional neural network layers as a tool for the analysis of features arising from…
Many annotation problems in computer vision can be phrased as integer linear programs (ILPs). The use of standard industrial solvers does not to exploit the underlying structure of such problems eg, the skeleton in pose estimation. The…
Standard next-token prediction (NTP) supervises language models solely through discrete labels in the output logit space. We argue that this sparse one-hot supervision leaves the latent representation space under-constrained, allowing…