nils-herrmann/clean_scirepeval huggingface dataset:
Path-integral dynamics of water using curvilinear centroids

We develop a path-integral dynamics method for water that resembles centroid molecular dynamics (CMD), except that the centroids are averages of curvilinear, rather than cartesian, bead coordinates. The curvilinear coordinates are used explicitly only when computing the potential of mean force, the components of which are re-expressed in terms of cartesian 'quasi-centroids' (so-called because they are close to the cartesian centroids). Cartesian equations of motion are obtained by making small approximations to the quantum Boltzmann distribution. Simulations of the infrared spectra of various water models over 150-600 K show these approximations to be justified: for a two-dimensional OH-bond model, the quasi-centroid molecular dynamics (QCMD) spectra lie close to the exact quantum spectra, and almost on top of the Matsubara dynamics spectra; for gas-phase water, the QCMD spectra are close to the exact quantum spectra; for liquid water and ice (using the q-TIP4P/F surface), the QCMD spectra are close to the CMD spectra at 600 K, and line up with the results of thermostatted ring-polymer molecular dynamics and approximate quantum calculations at 300 and 150 K. The QCMD spectra show no sign of the CMD 'curvature problem' (of erroneous red shifts and broadening). In the liquid and ice simulations, the potential of mean force was evaluated on the fly by generalising an adiabatic CMD algorithm to curvilinear coordinates; the full limit of adiabatic separation needed to be taken, which made the QCMD calculations 8 times more expensive than partially adiabatic CMD at 300 K, and 32 times at 150 K (and the intensities may still not be converged at this temperature). The QCMD method is probably generalisable to many other systems, provided collective bead-coordinates can be identified that yield compact mean-field ring-polymer distributions.
Regularizing linear inverse problems with convolutional neural networks

Deep convolutional neural networks trained on large datsets have emerged as an intriguing alternative for compressing images and solving inverse problems such as denoising and compressive sensing. However, it has only recently been realized that even without training, convolutional networks can function as concise image models, and thus regularize inverse problems. In this paper, we provide further evidence for this finding by studying variations of convolutional neural networks that map few weight parameters to an image. The networks we consider only consist of convolutional operations, with either fixed or parameterized filters followed by ReLU non-linearities. We demonstrate that with both fixed and parameterized convolutional filters those networks enable representing images with few coefficients. What is more, the underparameterization enables regularization of inverse problems, in particular recovering an image from few observations. We show that, similar to standard compressive sensing guarantees, on the order of the number of model parameters many measurements suffice for recovering an image from compressive measurements. Finally, we demonstrate that signal recovery with a un-trained convolutional network outperforms standard l1 and total variation minimization for magnetic resonance imaging (MRI).
Towards Enhancing Fault Tolerance in Neural Networks

Deep Learning Accelerators and Neuromorphic hardware, used in many real-time safety-critical applications, are prone to faults that manifest in the form of errors in Neural Networks. Fault Tolerance in Neural Networks is a critical attribute for applications that require reliable computation for long duration such as IoT and mobile devices. The inherent fault tolerance of Neural Networks can be improved with regularization, however, the current techniques exhibit a trade-off between generalization and classification accuracy. To this extent, in this work, a Neural Network is modelled as two distinct functional components: a Feature Extractor with an unsupervised learning objective and a Fully Connected Classifier with a supervised learning objective. Traditional approaches to train the entire network using a single supervised learning objective are insufficient to achieve the objectives of the individual functional goals optimally. In this work, a novel two phase framework with multi-criteria objective function combining unsupervised training of the Feature Extractor followed by supervised training of the Classifier Network is proposed. In the Phase I, the unsupervised training of the Feature Extractor is modeled using two games solved simultaneously in the presence of Neural Networks with conflicting objectives. The first game with a generative model, trains the Feature Extractor to generate robust features for the input image by minimizing a reconstruction loss between the input and reconstructed image. The second game with a binary classification network, updates the Feature Extractor to smoothen the feature space and match with a prior Gaussian distribution. In Phase II, the resultant Feature Extractor, which is strongly regularized, is combined with the Fully Connected Classifier for fine-tuning on the classification task. The proposed two phase training algorithm is evaluated on four architectures with varying model complexity on standard image classification datasets: FashionMNIST and CIFAR10. The proposed framework is scalable and independent of the network architecture that provides superior tolerance to stuck at “0” faults as compared to existing regularization functions without loss in classification accuracy.
ANETAC: Arabic Named Entity Transliteration and Classification Dataset

In this paper, we make freely accessible ANETAC, our English-Arabic named entity transliteration and classification dataset that we built from freely available parallel translation corpora. The dataset contains 79, 924 instances, each instance is a triplet (e, a, c), where e is the English named entity, a is its Arabic 
transliteration and c is its class that can be either a Person, a Location, or an Organization. The ANETAC dataset is mainly aimed for the researchers that are working on Arabic named entity transliteration, but it can also be used for named entity classification purposes. This dataset was developed and used as part of a previous research study done by Hadj Ameur et al. .
Intrinsic Motivation Driven Intuitive Physics Learning using Deep Reinforcement Learning with Intrinsic Reward Normalization

At an early age, human infants are able to learn and build a model of the world very quickly by constantly observing and interacting with objects around them. One of the most fundamental intuitions human infants acquire is intuitive physics. Human infants learn and develop these models, which later serve as prior knowledge for further learning. Inspired by such behaviors exhibited by human infants, we introduce a graphical physics network integrated with deep reinforcement learning. Specifically, we introduce an intrinsic reward normalization method that allows our agent to efficiently choose actions that can improve its intuitive physics model the most. 
Using a 3D physics engine, we show that our graphical physics network is able to infer object's positions and velocities very effectively, and our deep reinforcement learning network encourages an agent to improve its model by making it continuously interact with objects only using intrinsic motivation. We experiment our model in both stationary and non-stationary state problems and show benefits of our approach in terms of the number of different actions the agent performs and the accuracy of agent's intuition model. 
Videos are at this https URL
Fast Universal Style Transfer for Artistic and Photorealistic Rendering

Universal style transfer is an image editing task that renders an input content image using the visual style of arbitrary reference images, including both artistic and photorealistic stylization. Given a pair of images as the source of content and the reference of style, existing solutions usually first train an auto-encoder (AE) to reconstruct the image using deep features and then embeds pre-defined style transfer modules into the AE reconstruction procedure to transfer the style of the reconstructed image through modifying the deep features. While existing methods typically need multiple rounds of time-consuming AE reconstruction for better stylization, our work intends to design novel neural network architectures on top of AE for fast style transfer with fewer artifacts and distortions all in one pass of end-to-end inference. To this end, we propose two network architectures named ArtNet and PhotoNet to improve artistic and photo-realistic stylization, respectively. Extensive experiments demonstrate that ArtNet generates images with fewer artifacts and distortions against the state-of-the-art artistic transfer algorithms, while PhotoNet improves the photorealistic stylization results by creating sharp images faithfully preserving rich details of the input content. Moreover, ArtNet and PhotoNet can achieve 3X to 100X speed-up over the state-of-the-art algorithms, which is a major advantage for large content images.
Takens-inspired neuromorphic processor: a downsizing tool for random recurrent neural networks via feature extraction

We describe a new technique which minimizes the amount of neurons in the hidden layer of a random recurrent neural network (rRNN) for time series prediction. Merging Takens-based attractor reconstruction methods with machine learning, we identify a mechanism for feature extraction that can be leveraged to lower the network size. We obtain criteria specific to the particular prediction task and derive the scaling law of the prediction error. The consequences of our theory are demonstrated by designing a Takens-inspired hybrid processor, which extends a rRNN with a priori designed delay external memory. Our hybrid architecture is therefore designed including both, real and virtual nodes. Via this symbiosis, we show performance of the hybrid processor by stabilizing an arrhythmic neural model. Thanks to our obtained design rules, we can reduce the stabilizing neural network's size by a factor of 15 with respect to a standard system.
Spectroscopy with the Engineering Development Array: cold H+ at 63 MHz towards the Galactic Centre

The Engineering Development Array (EDA) is a single test station for Square Kilometre Array (SKA) precursor technology. We have used the EDA to detect low-frequency radio recombination lines (RRLs) from the Galactic Centre region. Low-frequency RRLs are an area of interest for future low-frequency SKA work as these lines provide important information on the physical properties of the cold neutral medium. In this project, we investigate the EDA, its bandpass, and the radio frequency interference environment for low-frequency spectroscopy. We present line spectra from 30 to 325 MHz for the Galactic Centre region. The decrease in sensitivity for the EDA at the low end of the receiver prevents carbon and hydrogen RRLs to be detected below 40 and 60 MHz, respectively. RFI strongly affects frequencies in the range 276–292, 234–270, 131–138, 95–102, and below 33 MHz. Cnα RRLs were detected in absorption for quantum levels n = 378–550 (39–121 MHz) and in emission for n = 272–306 (228–325 MHz). Cnβ lines were detected in absorption for n = 387–696 (39–225 MHz). Hnα RRLs were detected in emission for n = 272–480 (59–325 MHz). Hnβ lines were detected for n = 387–453 (141–225 MHz). The stacked Hnα detection at 63 MHz is the lowest frequency detection made for hydrogen RRLs and shows that a cold (partially) ionized medium exists along the line of sight to the Galactic Centre region. The size and velocity of this cold H+ gas indicates that it is likely associated with the nearby Riegel–Crutcher cloud.
AutoSlim: An Automatic DNN Structured Pruning Framework for Ultra-High Compression Rates

Structured weight pruning is a representative model compression technique of DNNs to reduce the storage and computation requirements and accelerate inference. An automatic hyperparameter determination process is necessary due to the large number of flexible hyperparameters. This work proposes AutoCompress, an automatic structured pruning framework with the following key performance improvements: (i) effectively incorporate the combination of structured pruning schemes in the automatic process; (ii) adopt the state-of-art ADMM-based structured weight pruning as the core algorithm, and propose an innovative additional purification step for further weight reduction without accuracy loss; and (iii) develop effective heuristic search method enhanced by experience-based guided search, replacing the prior deep reinforcement learning technique which has underlying incompatibility with the target pruning problem. Extensive experiments on CIFAR-10 and ImageNet datasets demonstrate that AutoCompress is the key to achieve ultra-high pruning rates on the number of weights and FLOPs that cannot be achieved before. As an example, AutoCompress outperforms the prior work on automatic model compression by up to 33x in pruning rate (120x reduction in the actual parameter count) under the same accuracy. Significant inference speedup has been observed from the AutoCompress framework on actual measurements on smartphone. We release all models of this work at anonymous link: this http URL.
The impact of baryonic physics and massive neutrinos on weak lensing peak statistics

We study the impact of baryonic processes and massive neutrinos on weak lensing peak statistics that can be used to constrain cosmological parameters. We use the BAHAMAS suite of cosmological simulations, which self-consistently include baryonic processes and the effect of massive neutrino free-streaming on the evolution of structure formation. We construct synthetic weak lensing catalogues by ray tracing through light-cones, and use the aperture mass statistic for the analysis. The peaks detected on the maps reflect the cumulative signal from massive bound objects and general large-scale structure. We present the first study of weak lensing peaks in simulations that include both baryonic physics and massive neutrinos (summed neutrino mass Mν = 0.06, 0.12, 0.24, and 0.48 eV assuming normal hierarchy), so that the uncertainty due to physics beyond the gravity of dark matter can be factored into constraints on cosmological models. Assuming a fiducial model of baryonic physics, we also investigate the correlation between peaks and massive haloes, over a range of summed neutrino mass values. As higher neutrino mass tends to suppress the formation of massive structures in the Universe, the halo mass function and lensing peak counts are therefore modified as a function of Mν. Over most of the S/N range, the impact of fiducial baryonic physics is greater (less) than neutrinos for 0.06 and 0.12 (0.24 and 0.48) eV models. Both baryonic physics and massive neutrinos should be accounted for when deriving cosmological parameters from weak lensing observations.
Exploring difference in public perceptions on HPV vaccine between gender groups from Twitter using deep learning

In this study, we proposed a convolutional neural network model for gender prediction using English Twitter text as input. Ensemble of proposed model achieved an accuracy at 0.8237 on gender prediction and compared favorably with the state-of-the-art performance in a recent author profiling task. We further leveraged the trained models to predict the gender labels from an HPV vaccine related corpus and identified gender difference in public perceptions regarding HPV vaccine. The findings are largely consistent with previous survey-based studies.
XGBoostLSS -- An extension of XGBoost to probabilistic forecasting

We propose a new framework of XGBoost that predicts the entire conditional distribution of a univariate response variable. In particular, XGBoostLSS models all moments of a parametric distribution (i.e., mean, location, scale and shape [LSS]) instead of the conditional mean only. Choosing from a wide range of continuous, discrete and mixed discrete-continuous distribution, modelling and predicting the entire conditional distribution greatly enhances the flexibility of XGBoost, as it allows to gain additional insight into the data generating process, as well as to create probabilistic forecasts from which prediction intervals and quantiles of interest can be derived. We present both a simulation study and real world examples that demonstrate the virtues of our approach.
Testing Mixtures of Discrete Distributions

There has been significant study on the sample complexity of testing properties of distributions over large domains. For many properties, it is known that the sample complexity can be substantially smaller than the domain size. For example, over a domain of size $n$, distinguishing the uniform distribution from distributions that are far from uniform in $\ell_1$-distance uses only $O(\sqrt{n})$ samples. 
However, the picture is very different in the presence of arbitrary noise, even when the amount of noise is quite small. In this case, one must distinguish if samples are coming from a distribution that is $\epsilon$-close to uniform from the case where the distribution is $(1-\epsilon)$-far from uniform. The latter task requires nearly linear in $n$ samples [Valiant 2008, Valian and Valiant 2011]. 
In this work, we present a noise model that on one hand is more tractable for the testing problem, and on the other hand represents a rich class of noise families. In our model, the noisy distribution is a mixture of the original distribution and noise, where the latter is known to the tester either explicitly or via sample access; the form of the noise is also known a priori. Focusing on the identity and closeness testing problems leads to the following mixture testing question: Given samples of distributions $p, q_1,q_2$, can we test if $p$ is a mixture of $q_1$ and $q_2$? We consider this general question in various scenarios that differ in terms of how the tester can access the distributions, and show that indeed this problem is more tractable. Our results show that the sample complexity of our testers are exactly the same as for the classical non-mixture case.
What graph neural networks cannot learn: depth vs width

This paper studies the expressive power of graph neural networks falling within the message-passing framework (GNNmp). Two results are presented. First, GNNmp are shown to be Turing universal under sufficient conditions on their depth, width, node attributes, and layer expressiveness. Second, it is discovered that GNNmp can lose a significant portion of their power when their depth and width is restricted. The proposed impossibility statements stem from a new technique that enables the repurposing of seminal results from distributed computing and leads to lower bounds for an array of decision, optimization, and estimation problems involving graphs. Strikingly, several of these problems are deemed impossible unless the product of a GNNmp's depth and width exceeds a polynomial of the graph size; this dependence remains significant even for tasks that appear simple or when considering approximation.
Informative Visual Storytelling with Cross-modal Rules

Existing methods in the Visual Storytelling field often suffer from the problem of generating general descriptions, while the image contains a lot of meaningful contents remaining unnoticed. The failure of informative story generation can be concluded to the model's incompetence of capturing enough meaningful concepts. The categories of these concepts include entities, attributes, actions, and events, which are in some cases crucial to grounded storytelling. To solve this problem, we propose a method to mine the cross-modal rules to help the model infer these informative concepts given certain visual input. We first build the multimodal transactions by concatenating the CNN activations and the word indices. Then we use the association rule mining algorithm to mine the cross-modal rules, which will be used for the concept inference. With the help of the cross-modal rules, the generated stories are more grounded and informative. Besides, our proposed method holds the advantages of interpretation, expandability, and transferability, indicating potential for wider application. Finally, we leverage these concepts in our encoder-decoder framework with the attention mechanism. We conduct several experiments on the VIsual StoryTelling~(VIST) dataset, the results of which demonstrate the effectiveness of our approach in terms of both automatic metrics and human evaluation. Additional experiments are also conducted showing that our mined cross-modal rules as additional knowledge helps the model gain better performance when trained on a small dataset.
Ensuring Responsible Outcomes from Technology

We attempt to make two arguments in this essay. First, through a case study of a mobile phone based voice-media service we have been running in rural central India for more than six years, we describe several implementation complexities we had to navigate towards realizing our intended vision of bringing social development through technology. Most of these complexities arose in the interface of our technology with society, and we argue that even other technology providers can create similar processes to manage this socio-technological interface and ensure intended outcomes from their technology use. We then build our second argument about how to ensure that the organizations behind both market driven technologies and those technologies that are adopted by the state, pay due attention towards responsibly managing the socio-technological interface of their innovations. We advocate for the technology engineers and researchers who work within these organizations, to take up the responsibility and ensure that their labour leads to making the world a better place especially for the poor and marginalized. We outline possible governance structures that can give more voice to the technology developers to push their organizations towards ensuring that responsible outcomes emerge from their technology. We note that the examples we use to build our arguments are limited to contemporary information and communication technology (ICT) platforms used directly by end-users to share content with one another, and hence our argument may not generalize to other ICTs in a straightforward manner.
Szegő’s theorem for canonical systems: the Arov gauge and a sum rule

We consider canonical systems and investigate the Szegő class, which is defined via the finiteness of the associated entropy functional. Noting that the canonical system may be studied in a variety of gauges, we choose to work in the Arov gauge, in which we prove that the entropy integral is equal to an integral involving the coefficients of the canonical system. This sum rule provides a spectral theory gem in the sense proposed by Barry Simon.