Discovering the underlying physical behavior of complex systems is a crucial, but less well-understood topic in many engineering disciplines. This study proposes a finite-difference inspired convolutional neural network framework to learn hidden partial differential equations from given data and iteratively estimate future dynamical behavior. The methodology designs the filter sizes such that they mimic the finite difference between the neighboring points. By learning the governing equation, the network predicts the future evolution of the solution by using only a few trainable parameters. In this paper, we provide numerical results to compare the efficiency of the second-order Trust-Region Conjugate Gradient (TRCG) method with the first-order ADAM optimizer.

The limits of the nuclear landscape are determined by nuclear binding energies. Beyond the proton drip lines, where the separation energy becomes negative, there is not enough binding energy to prevent protons from escaping the nucleus. Predicting properties of unstable nuclear states in the vast territory of proton emitters poses an appreciable challenge for nuclear theory as it often involves far extrapolations. In addition, significant discrepancies between nuclear models in the proton-rich territory call for quantified predictions. With the help of Bayesian methodology, we mix a family of nuclear mass models corrected with statistical emulators trained on the experimental mass measurements, in the proton-rich region of the nuclear chart. Separation energies were computed within nuclear density functional theory using several Skyrme and Gogny energy density functionals. We also considered mass predictions based on two models used in astrophysical studies. Quantified predictions were obtained for each model using Bayesian Gaussian processes trained on separation-energy residuals and combined via Bayesian model averaging. We obtained a good agreement between averaged predictions of statistically corrected models and experiment. In particular, we quantified model results for one- and two-proton separation energies and derived probabilities of proton emission. This information enabled us to produce a quantified landscape of proton-rich nuclei. The most promising candidates for two-proton decay studies have been identified. The methodology used in this work has broad applications to model-based extrapolations of various nuclear observables. It also provides a reliable uncertainty quantification of theoretical predictions.

Prominently used in support vector machines and logistic regressions, kernel functions (kernels) can implicitly map data points into high dimensional spaces and make it easier to learn complex decision boundaries. In this work, by replacing the inner product function in the softmax layer, we explore the use of kernels for contextual word classification. In order to compare the individual kernels, experiments are conducted on standard language modeling and machine translation tasks. We observe a wide range of performances across different kernel settings. Extending the results, we look at the gradient properties, investigate various mixture strategies and examine the disambiguation abilities.

Traditionally, the vision community has devised algorithms to estimate the distance between an original image and images that have been subject to perturbations. Inspiration was usually taken from the human visual perceptual system and how the system processes different perturbations in order to replicate to what extent it determines our ability to judge image quality. While recent works have presented deep neural networks trained to predict human perceptual quality, very few borrow any intuitions from the human visual system. To address this, we present PerceptNet, a convolutional neural network where the architecture has been chosen to reflect the structure and various stages in the human visual system. We evaluate PerceptNet on various traditional perception datasets and note strong performance on a number of them as compared with traditional image quality metrics. We also show that including a nonlinearity inspired by the human visual system in classical deep neural networks architectures can increase their ability to judge perceptual similarity.

The EM algorithm is one of the most popular algorithm for inference in latent data models. The original formulation of the EM algorithm does not scale to large data set, because the whole data set is required at each iteration of the algorithm. To alleviate this problem, Neal and Hinton have proposed an incremental version of the EM (iEM) in which at each iteration the conditional expectation of the latent data (E-step) is updated only for a mini-batch of observations. Another approach has been proposed by Capp\'e and Moulines in which the E-step is replaced by a stochastic approximation step, closely related to stochastic gradient. In this paper, we analyze incremental and stochastic version of the EM algorithm as well as the variance reduced-version of Chen et. al. in a common unifying framework. We also introduce a new version incremental version, inspired by the SAGA algorithm by Defazio et. al. We establish non-asymptotic convergence bounds for global convergence. Numerical applications are presented in this article to illustrate our findings.

We consider the problem of training machine learning models in a risk-averse manner. In particular, we propose an adaptive sampling algorithm for stochastically optimizing the Conditional Value-at-Risk (CVaR) of a loss distribution. We use a distributionally robust formulation of the CVaR to phrase the problem as a zero-sum game between two players. Our approach solves the game using an efficient no-regret algorithm for each player. Critically, we can apply these algorithms to large-scale settings because the implementation relies on sampling from Determinantal Point Processes. Finally, we empirically demonstrate its effectiveness on large-scale convex and non-convex learning tasks.

Overlapping clusters are common in models of many practical data-segmentation applications. Suppose we are given $n$ elements to be clustered into $k$ possibly overlapping clusters, and an oracle that can interactively answer queries of the form "do elements $u$ and $v$ belong to the same cluster?" The goal is to recover the clusters with minimum number of such queries. This problem has been of recent interest for the case of disjoint clusters. In this paper, we look at the more practical scenario of overlapping clusters, and provide upper bounds (with algorithms) on the sufficient number of queries. We provide algorithmic results under both arbitrary (worst-case) and statistical modeling assumptions. Our algorithms are parameter free, efficient, and work in the presence of random noise. We also derive information-theoretic lower bounds on the number of queries needed, proving that our algorithms are order optimal. Finally, we test our algorithms over both synthetic and real-world data, showing their practicality and effectiveness.

We propose Generative Well-intentioned Networks (GWINs), a novel framework for increasing the accuracy of certainty-based, closed-world classifiers. A conditional generative network recovers the distribution of observations that the classifier labels correctly with high certainty. We introduce a reject option to the classifier during inference, allowing the classifier to reject an observation instance rather than predict an uncertain label. These rejected observations are translated by the generative network to high-certainty representations, which are then relabeled by the classifier. This architecture allows for any certainty-based classifier or rejection function and is not limited to multilayer perceptrons. The capability of this framework is assessed using benchmark classification datasets and shows that GWINs significantly improve the accuracy of uncertain observations.

We target modeling latent dynamics in high-dimension marked event sequences without any prior knowledge about marker relations. Such problem has been rarely studied by previous works which would have fundamental difficulty to handle the arisen challenges: 1) the high-dimensional markers and unknown relation network among them pose intractable obstacles for modeling the latent dynamic process; 2) one observed event sequence may concurrently contain several different chains of interdependent events; 3) it is hard to well define the distance between two high-dimension event sequences. To these ends, in this paper, we propose a seminal adversarial imitation learning framework for high-dimension event sequence generation which could be decomposed into: 1) a latent structural intensity model that estimates the adjacent nodes without explicit networks and learns to capture the temporal dynamics in the latent space of markers over observed sequence; 2) an efficient random walk based generation model that aims at imitating the generation process of high-dimension event sequences from a bottom-up view; 3) a discriminator specified as a seq2seq network optimizing the rewards to help the generator output event sequences as real as possible. Experimental results on both synthetic and real-world datasets demonstrate that the proposed method could effectively detect the hidden network among markers and make decent prediction for future marked events, even when the number of markers scales to million level.

We study the problem of object detection over scanned images of scientific documents. We consider images that contain objects of varying aspect ratios and sizes and range from coarse elements such as tables and figures to fine elements such as equations and section headers. We find that current object detectors fail to produce properly localized region proposals over such page objects. We revisit the original R-CNN model and present a method for generating fine-grained proposals over document elements. We also present a region embedding model that uses the convolutional maps of a proposal's neighbors as context to produce an embedding for each proposal. This region embedding is able to capture the semantic relationships between a target region and its surrounding context. Our end-to-end model produces an embedding for each proposal, then classifies each proposal by using a multi-head attention model that attends to the most important neighbors of a proposal. To evaluate our model, we collect and annotate a dataset of publications from heterogeneous journals. We show that our model, referred to as Attentive-RCNN, yields a 17% mAP improvement compared to standard object detection models.