nils-herrmann/clean_scirepeval huggingface dataset:
All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions

A major challenge in computational solid-state physics is the capability of first-principles theories to treat relativistic effects nonperturbatively when modeling material properties driven by atomic-core regions or the spin-orbit interaction. Such a relativistic approach is mandatory for heavy-element containing materials that often exhibit nontrivial topological properties. Here, the first formulation and implementation of a relativistic full-potential theory for solids solving the four-component Dirac-Kohn-Sham equation within local Gaussian-type bases is presented. Time-reversal symmetry is exploited in a quaternion algebra-based formalism to significantly reduce the methodological and computational complexity of the approach. The results are demonstrated to be well converged with basis sets developed for molecules.
Low-cost Measurement of Industrial Shock Signals via Deep Learning Calibration

Special high-end sensors with expensive hardware are usually needed to measure shock signals with high accuracy. In this paper, we show that cheap low-end sensors calibrated by deep neural networks are also capable to measure high-g shocks accurately. Firstly we perform drop shock tests to collect a dataset of shock signals measured by sensors of different fidelity. Secondly, we propose a novel network to effectively learn both the signal peak and overall shape. The results show that the proposed network is capable to map low-end shock signals to its high-end counterparts with satisfactory accuracy. To the best of our knowledge, this is the first work to apply deep learning techniques to calibrate shock sensors.
The long and the short of it: summarising event sequences with serial episodes

An ideal outcome of pattern mining is a small set of informative patterns, containing no redundancy or noise, that identifies the key structure of the data at hand. Standard frequent pattern miners do not achieve this goal, as due to the pattern explosion typically very large numbers of highly redundant patterns are returned.
 We pursue the ideal for sequential data, by employing a pattern set mining approach - an approach where, instead of ranking patterns individually, we consider results as a whole. Pattern set mining has been successfully applied to transactional data, but has been surprisingly understudied for sequential data.
 In this paper, we employ the MDL principle to identify the set of sequential patterns that summarises the data best. In particular, we formalise how to encode sequential data using sets of serial episodes, and use the encoded length as a quality score. As search strategy, we propose two approaches: the first algorithm selects a good pattern set from a large candidate set, while the second is a parameter-free any-time algorithm that mines pattern sets directly from the data. Experimentation on synthetic and real data demonstrates we efficiently discover small sets of informative patterns.
A Novel Graph Analytic Approach to Monitor Terrorist Networks

Terrorist attacks all across the world have become a major source of concern for almost all national governments. The United States Department of State's Bureau of Counter-Terrorism, maintains a list of 66 terrorist organizations spanning the entire world. Actively monitoring a large number of organizations and their members, require considerable amounts of resources on the part of law enforcement agencies. Oftentimes, the law enforcement agencies do not have adequate resources to monitor these organizations and their members effectively. On multiple incidences of terrorist attacks in recent times across Europe, it has been observed that the perpetrators of the attack were in the suspect databases of the law enforcement authorities, but weren't under active surveillance at the time of the attack, due to resource limitations on the part of the authorities. As the suspect databases in various countries are very large, and it takes significant amount of technical and human resources to monitor a suspect in the database, monitoring all the suspects in the database may be an impossible task. In this paper, we propose a novel terror network monitoring approach that will significantly reduce the resource requirement of law enforcement authorities, but still provide the capability of uniquely identifying a suspect in case the suspect becomes active in planning a terrorist attack. The approach relies on the assumption that, when an individual becomes active in planning a terrorist attack, his/her friends/associates will have some inkling of the individuals plan. Accordingly, even if the individual is not under active surveillance by the authorities, but the individual's friends/associates are, then the individual planning the attack can be uniquely identified. We apply our techniques on various real-world terror network datasets and show the effectiveness of our approach.
3D Human Pose Estimation from Deep Multi-View 2D Pose

Human pose estimation - the process of recognizing a human's limb positions and orientations in a video - has many important applications including surveillance, diagnosis of movement disorders, and computer animation. While deep learning has lead to great advances in 2D and 3D pose estimation from single video sources, the problem of estimating 3D human pose from multiple video sensors with overlapping fields of view has received less attention. When the application allows use of multiple cameras, 3D human pose estimates may be greatly improved through fusion of multi-view pose estimates and observation of limbs that are fully or partially occluded in some views. Past approaches to multi-view 3D pose estimation have used probabilistic graphical models to reason over constraints, including per-image pose estimates, temporal smoothness, and limb length. In this paper, we present a pipeline for multi-view 3D pose estimation of multiple individuals which combines a state-of-art 2D pose detector with a factor graph of 3D limb constraints optimized with belief propagation. We evaluate our results on the TUM-Campus and Shelf datasets for multi-person 3D pose estimation and show that our system significantly outperforms the previous state-of-the-art with a simpler model of limb dependency.
FaceSpoof Buster: a Presentation Attack Detector Based on Intrinsic Image Properties and Deep Learning

Nowadays, the adoption of face recognition for biometric authentication systems is usual, mainly because this is one of the most accessible biometric modalities. Techniques that rely on trespassing these kind of systems by using a forged biometric sample, such as a printed paper or a recorded video of a genuine access, are known as presentation attacks, but may be also referred in the literature as face spoofing. Presentation attack detection is a crucial step for preventing this kind of unauthorized accesses into restricted areas and/or devices. In this paper, we propose a novel approach which relies in a combination between intrinsic image properties and deep neural networks to detect presentation attack attempts. Our method explores depth, salience and illumination maps, associated with a pre-trained Convolutional Neural Network in order to produce robust and discriminant features. Each one of these properties are individually classified and, in the end of the process, they are combined by a meta learning classifier, which achieves outstanding results on the most popular datasets for PAD. Results show that proposed method is able to overpass state-of-the-art results in an inter-dataset protocol, which is defined as the most challenging in the literature.
Static and Semi-Static Hedging as Contrarian or Conformist Bets

In this paper, we argue that, once the costs of maintaining the hedging portfolio are properly taken into account, semi-static portfolios should more properly be thought of as separate classes of derivatives, with non-trivial, model-dependent payoff structures. We derive new integral representations for payoffs of exotic European options in terms of payoffs of vanillas, different from Carr-Madan representation, and suggest approximations of the idealized static hedging/replicating portfolio using vanillas available in the market. We study the dependence of the hedging error on a model used for pricing and show that the variance of the hedging errors of static hedging portfolios can be sizably larger than the errors of variance-minimizing portfolios. We explain why the exact semi-static hedging of barrier options is impossible for processes with jumps, and derive general formulas for variance-minimizing semi-static portfolio. We show that hedging using vanillas only leads to larger errors than hedging using vanillas and first touch digitals. In all cases, efficient calculations of the weights of the hedging portfolios are in the dual space using new efficient numerical methods for calculation of the Wiener-Hopf factors and Laplace-Fourier inversion.
Crop Yield Prediction Using Deep Neural Networks

Crop yield is a highly complex trait determined by multiple factors such as genotype, environment, and their interactions. Accurate yield prediction requires fundamental understanding of the functional relationship between yield and these interactive factors, and to reveal such relationship requires both comprehensive datasets and powerful algorithms. In the 2018 Syngenta Crop Challenge, Syngenta released several large datasets that recorded the genotype and yield performances of 2,267 maize hybrids planted in 2,247 locations between 2008 and 2016 and asked participants to predict the yield performance in 2017. As one of the winning teams, we designed a deep neural network (DNN) approach that took advantage of state-of-the-art modeling and solution techniques. Our model was found to have a superior prediction accuracy, with a root-mean-square-error (RMSE) being 12% of the average yield and 50% of the standard deviation for the validation dataset using predicted weather data. With perfect weather data, the RMSE would be reduced to 11% of the average yield and 46% of the standard deviation. We also performed feature selection based on the trained DNN model, which successfully decreased the dimension of the input space without significant drop in the prediction accuracy. Our computational results suggested that this model significantly outperformed other popular methods such as Lasso, shallow neural networks (SNN), and regression tree (RT). The results also revealed that environmental factors had a greater effect on the crop yield than genotype.
Two‐step market clearing for local energy trading in feeder‐based markets

Recent innovations in Information and Communication Technologies (ICT) provide new opportunities and challenges for integration of distributed energy resources (DERs) into the energy supply system as active market players. By increasing integration of DERs, novel market platform should be designed for these new market players. The designed electricity market should maximize market surplus for consumers and suppliers and provide correct incentives for them to join the market and follow market rules. In this paper, a feeder-based market is proposed for local energy trading among prosumers and consumers in the distribution system. In this market, market players are allowed to share energy with other players in the local market and with neighborhood areas. A Two-StepMarket Clearing (2SMC) mechanism is proposed for market clearing, in which in the first step, each local market is cleared independently to determine the market clearing price and in the second step, players can trade energy with neighborhood areas. In comparison to a centralized market, the proposed method is scalable and reduces computation overheads, because instead of clearing market for a large number of players, the market is cleared for a fewer number of players. Also, by applying distributed method and Lagrangian multipliers for market clearing, there is no need for a central computation centre and private information of market players. Case studies demonstrate the efficiency and effectiveness of the proposed market clearing method in increasing social welfare and reducing computation time.
Visual Search and Recognition for Robot Task Execution and Monitoring

Visual search of relevant targets in the environment is a crucial robot skill. We propose a preliminary framework for the execution monitor of a robot task, taking care of the robot attitude to visually searching the environment for targets involved in the task. Visual search is also relevant to recover from a failure. The framework exploits deep reinforcement learning to acquire a "common sense" scene structure and it takes advantage of a deep convolutional network to detect objects and relevant relations holding between them. The framework builds on these methods to introduce a vision-based execution monitoring, which uses classical planning as a backbone for task execution. Experiments show that with the proposed vision-based execution monitor the robot can complete simple tasks and can recover from failures in autonomy.
Mean Field Limit of the Learning Dynamics of Multilayer Neural Networks

Can multilayer neural networks -- typically constructed as highly complex structures with many nonlinearly activated neurons across layers -- behave in a non-trivial way that yet simplifies away a major part of their complexities? In this work, we uncover a phenomenon in which the behavior of these complex networks -- under suitable scalings and stochastic gradient descent dynamics -- becomes independent of the number of neurons as this number grows sufficiently large. We develop a formalism in which this many-neurons limiting behavior is captured by a set of equations, thereby exposing a previously unknown operating regime of these networks. While the current pursuit is mathematically non-rigorous, it is complemented with several experiments that validate the existence of this behavior.
Combining learning rate decay and weight decay with complexity gradient descent - Part I

The role of $L^2$ regularization, in the specific case of deep neural networks rather than more traditional machine learning models, is still not fully elucidated. We hypothesize that this complex interplay is due to the combination of overparameterization and high dimensional phenomena that take place during training and make it unamenable to standard convex optimization methods. Using insights from statistical physics and random fields theory, we introduce a parameter factoring in both the level of the loss function and its remaining nonconvexity: the \emph{complexity}. We proceed to show that it is desirable to proceed with \emph{complexity gradient descent}. We then show how to use this intuition to derive novel and efficient annealing schemes for the strength of $L^2$ regularization when performing standard stochastic gradient descent in deep neural networks.
Contextual Online False Discovery Rate Control

Multiple hypothesis testing, a situation when we wish to consider many hypotheses, is a core problem in statistical inference that arises in almost every scientific field. In this setting, controlling the false discovery rate (FDR), which is the expected proportion of type I error, is an important challenge for making meaningful inferences. In this paper, we consider the problem of controlling FDR in an online manner. Concretely, we consider an ordered, possibly infinite, sequence of hypotheses, arriving one at each timestep, and for each hypothesis we observe a p-value along with a set of features specific to that hypothesis. The decision whether or not to reject the current hypothesis must be made immediately at each timestep, before the next hypothesis is observed. The model of multi-dimensional feature set provides a very general way of leveraging the auxiliary information in the data which helps in maximizing the number of discoveries. 
We propose a new class of powerful online testing procedures, where the rejections thresholds (significance levels) are learnt sequentially by incorporating contextual information and previous results. We prove that any rule in this class controls online FDR under some standard assumptions. We then focus on a subclass of these procedures, based on weighting significance levels, to derive a practical algorithm that learns a parametric weight function in an online fashion to gain more discoveries. We also theoretically prove, in a stylized setting, that our proposed procedures would lead to an increase in the achieved statistical power over a popular online testing procedure proposed by Javanmard & Montanari (2018). Finally, we demonstrate the favorable performance of our procedure, by comparing it to state-of-the-art online multiple testing procedures, on both synthetic data and real data generated from different applications.
Design of Non-Orthogonal Beamspace Multiple Access for Cellular Internet-of-Things

In this paper, we study the problem of massive connections over limited radio spectrum for the cellular Internet-of-Things in the fifth-generation wireless network. To address the challenging issues associated with channel state information acquisition and beam design in the context of massive connections, we propose a new non-orthogonal beamspace multiple access framework. In particular, the user equipment are non-orthogonal not only in the temporal-frequency domain, but also in the beam domain. We analyze the performance of the proposed nonorthogonal beamspace multiple access scheme, and derive an upper bound on the weighted sum rate in terms of the channel conditions and system parameters. For further improving the performance, we propose three non-orthogonal transmit beam construction algorithms with different beamspace resolutions. Finally, extensive simulation results show that substantial performance gain can be obtained by the proposed non-orthogonal beamspace multiple access scheme over the baseline ones.
Modeling Heterogeneity in Mode-Switching Behavior Under a Mobility-on-Demand Transit System: An Interpretable Machine Learning Approach

Recent years have witnessed an increased focus on interpretability and the use of machine learning to inform policy analysis and decision making. This paper applies machine learning to examine travel behavior and, in particular, on modeling changes in travel modes when individuals are presented with a novel (on-demand) mobility option. It addresses the following question: Can machine learning be applied to model individual taste heterogeneity (preference heterogeneity for travel modes and response heterogeneity to travel attributes) in travel mode choice? This paper first develops a high-accuracy classifier to predict mode-switching behavior under a hypothetical Mobility-on-Demand Transit system (i.e., stated-preference data), which represents the case study underlying this research. We show that this classifier naturally captures individual heterogeneity available in the data. Moreover, the paper derives insights on heterogeneous switching behaviors through the generation of marginal effects and elasticities by current travel mode, partial dependence plots, and individual conditional expectation plots. The paper also proposes two new model-agnostic interpretation tools for machine learning, i.e., conditional partial dependence plots and conditional individual partial dependence plots, specifically designed to examine response heterogeneity. The results on the case study show that the machine-learning classifier, together with model-agnostic interpretation tools, provides valuable insights on travel mode switching behavior for different individuals and population segments. For example, the existing drivers are more sensitive to additional pickups than people using other travel modes, and current transit users are generally willing to share rides but reluctant to take any additional transfers.
Source Traces for Temporal Difference Learning

This paper motivates and develops source traces for temporal difference (TD) learning in the tabular setting. Source traces are like eligibility traces, but model potential histories rather than immediate ones. This allows TD errors to be propagated to potential causal states and leads to faster generalization. Source traces can be thought of as the model-based, backward view of successor representations (SR), and share many of the same benefits. This view, however, suggests several new ideas. First, a TD(λ)-like source learning algorithm is proposed and its convergence is proven. Then, a novel algorithm for learning the source map (or SR matrix) is developed and shown to outperform the previous algorithm. Finally, various approaches to using the source/SR model are explored, and it is shown that source traces can be effectively combined with other model-based methods like Dyna and experience replay.
An approach to harmonic analysis on non-locally compact groups I: level structures over locally compact groups

We define a class of spaces on which one may generalise the notion of compactness following motivating examples from higher-dimensional number theory. We establish analogues of several well-known topological results (such as Tychonoff's Theorem) for such spaces. We also discuss several possible applications of this framework, including the theory of harmonic analysis on non-locally compact groups.
Certified Adversarial Robustness via Randomized Smoothing

We show how to turn any classifier that classifies well under Gaussian noise into a new classifier that is certifiably robust to adversarial perturbations under the $\ell_2$ norm. This "randomized smoothing" technique has been proposed recently in the literature, but existing guarantees are loose. We prove a tight robustness guarantee in $\ell_2$ norm for smoothing with Gaussian noise. We use randomized smoothing to obtain an ImageNet classifier with e.g. a certified top-1 accuracy of 49% under adversarial perturbations with $\ell_2$ norm less than 0.5 (=127/255). No certified defense has been shown feasible on ImageNet except for smoothing. On smaller-scale datasets where competing approaches to certified $\ell_2$ robustness are viable, smoothing delivers higher certified accuracies. Our strong empirical results suggest that randomized smoothing is a promising direction for future research into adversarially robust classification. Code and models are available at this http URL.
Informing Computer Vision with Optical Illusions

Illusions are fascinating and immediately catch people's attention and interest, but they are also valuable in terms of giving us insights into human cognition and perception. A good theory of human perception should be able to explain the illusion, and a correct theory will actually give quantifiable results. We investigate here the efficiency of a computational filtering model utilised for modelling the lateral inhibition of retinal ganglion cells and their responses to a range of Geometric Illusions using isotropic Differences of Gaussian filters. This study explores the way in which illusions have been explained and shows how a simple standard model of vision based on classical receptive fields can predict the existence of these illusions as well as the degree of effect across multiple scales. A fundamental contribution of this work is to highlight the fact that it may be too early and hastly to reject isotropic filters altogether in favour of orientation selective ones for explaining mid/high level visual phenomena. Therefore the intention here is to link bottom-up processes to higher level perception and cognition consistent with Marr's theory of vision and edge map representation.