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Safety is closely related to set invariance for dynamical systems. However, synthesizing a safe invariant set and at the same time synthesizing the associated safe controller still remains challenging. In this note we introduce a simple invariance-based method for linear systems with safety guarantee. The proposed method uses sum-of-squares programming., Comment: submitted to POEMA as an extended abstract

Outsourcing anomaly detection to third-parties can allow data owners to overcome resource constraints (e.g., in lightweight IoT devices), facilitate collaborative analysis (e.g., under distributed or multi-party scenarios), and benefit from lower costs and specialized expertise (e.g., of Managed Security Service Providers). Despite such benefits, a data owner may feel reluctant to outsource anomaly detection without sufficient privacy protection. To that end, most existing privacy solutions would face a novel challenge, i.e., preserving privacy usually requires the difference between data entries to be eliminated or reduced, whereas anomaly detection critically depends on that difference. Such a conflict is recently resolved under a local analysis setting with trusted analysts (where no outsourcing is involved) through moving the focus of differential privacy (DP) guarantee from "all" to only "benign" entries. In this paper, we observe that such an approach is not directly applicable to the outsourcing setting, because data owners do not know which entries are "benign" prior to outsourcing, and hence cannot selectively apply DP on data entries. Therefore, we propose a novel iterative solution for the data owner to gradually "disentangle" the anomalous entries from the benign ones such that the third-party analyst can produce accurate anomaly results with sufficient DP guarantee. We design and implement our Differentially Private Outsourcing of Anomaly Detection (DPOAD) framework, and demonstrate its benefits over baseline Laplace and PainFree mechanisms through experiments with real data from different application domains.

In this paper we evaluate some Toeplitz-type determinants. Let $n>1$ be an integer. We prove the following two basic identities: \begin{align*} \det{[j-k+\delta_{jk}]_{1\leq j,k\leq n}}&=1+\frac{n^2(n^2-1)}{12}, \\ \det{[|j-k|+\delta_{jk}]_{1\leq j,k\leq n}}&= \begin{cases} \frac{1+(-1)^{(n-1)/2}n}{2}&\text{if}\ 2\nmid n,\\ \frac{1+(-1)^{n/2}}{2}&\text{if}\ 2\mid n, \end{cases} \end{align*} where $\delta_{jk}$ is the Kronecker delta. For complex numbers $a,b,c$ with $b\not=0$ and $a^2\not=4b$, and the sequence $(w_m)_{m\in\mathbb Z}$ with $w_{k+1}=aw_k-bw_{k-1}$ for all $k\in\mathbb Z$, we establish the identity $$\det[w_{j-k}+c\delta_{jk}]_{1\le j,k\le n} =c^n+c^{n-1}nw_0+c^{n-2}(w_1^2-aw_0w_1+bw_0^2)\frac{u_n^2b^{1-n}-n^2}{a^2-4b},$$ where $u_0=0$, $u_1=1$ and $u_{k+1}=au_k-bu_{k-1}$ for all $k=1,2,\ldots$., Comment: 22 pages.Add parts (ii) and (iii) of Theorem 1.1

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for high-level QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training a ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), a ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely-matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model, and then use the DeePKS model to label a much larger amount of configurations to train a ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open-source and ready for use in various applications.

Over the fast few years, the numerical success of the generalized alternating direction method of multipliers (GADMM) proposed by Eckstein \& Bertsekas [Math. Prog., 1992] has inspired intensive attention in analyzing its theoretical convergence properties. In this paper, we devote to establishing the linear convergence rate of the semi-proximal GADMM (sPGADMM) for solving linearly constrained convex composite optimization problems. The semi-proximal terms contained in each subproblem possess the abilities of handling with multi-block problems efficiently. We initially present some important inequalities for the sequence generated by the sPGADMM, and then establish the local linear convergence rate under the assumption of calmness. As a by-product, the global convergence property is also discussed.

Let $n>1$ be an odd integer. For any primitive $n$-th root $\zeta$ of unity in the complex field. Via the Engenvector-eigenvalue Identity, we show that $$\sum_{\tau\in D(n-1)}\mathrm{sign}(\tau)\prod_{j=1}^{n-1}\frac{1+\zeta^{j-\tau(j)}}{1-\zeta^{j-\tau(j)}} =(-1)^{\frac{n-1}{2}}\frac{((n-2)!!)^2}{n}, $$ where $D(n-1)$ is the set of all derangements of $1,\ldots,n-1$. This confirms a previous conjecture of Z.-W. Sun. Moreover, for each $\delta=0,1$ we determine the value of $\det[x+m_{jk}]_{1\le j,k\le n}$ completely, where $$m_{jk}=\begin{cases}(1+\zeta^{j-k})/(1-\zeta^{j-k})&\text{if}\ j\not=k,\\\delta&\text{if}\ j=k. \end{cases}$$, Comment: 9 pages. Correct few typos

The ongoing COVID-19 pandemic highlights the importance of dashboards for providing critical real-time information. In order to enable people to obtain information in time and to understand complex statistical data, many developers have designed and implemented public-oriented COVID-19 "information dashboards" during the pandemic. However, development often takes a long time and developers are not clear about many people's information needs, resulting in gaps between information needs and supplies. According to our empirical study and observations with popular developed COVID-19 dashboards, this seriously impedes information acquirement. Our study compares people's needs on Twitter with existing information suppliers. We determine that despite the COVID-19 information that is currently on existing dashboards, people are also interested in the relationship between COVID-19 and other viruses, the origin of COVID-19, vaccine development, fake new about COVID-19, impact on women, impact on school/university, and impact on business. Most of these have not yet been well addressed. We also summarise the visualization and interaction patterns commonly applied in dashboards, finding key patterns between data and visualization as well as visualization and interaction. Our findings can help developers to better optimize their dashboard to meet people's needs and make improvements to future crisis management dashboard development.

Lifelong Language Learning (LLL) aims to train a neural network to learn a stream of NLP tasks while retaining knowledge from previous tasks. However, previous works which followed data-free constraint still suffer from catastrophic forgetting issue, where the model forgets what it just learned from previous tasks. In order to alleviate catastrophic forgetting, we propose the residual variational autoencoder (RVAE) to enhance LAMOL, a recent LLL model, by mapping different tasks into a limited unified semantic space. In this space, previous tasks are easy to be correct to their own distribution by pseudo samples. Furthermore, we propose an identity task to make the model is discriminative to recognize the sample belonging to which task. For training RVAE-LAMOL better, we propose a novel training scheme Alternate Lag Training. In the experiments, we test RVAE-LAMOL on permutations of three datasets from DecaNLP. The experimental results demonstrate that RVAE-LAMOL outperforms na\"ive LAMOL on all permutations and generates more meaningful pseudo-samples., Comment: This paper has been accepted for publication at IJCNN 2022 on IEEE WCCI 2022; Oral presentation

The performance of reinforcement learning (RL) agents is sensitive to the choice of hyperparameters. In real-world settings like robotics or industrial control systems, however, testing different hyperparameter configurations directly on the environment can be financially prohibitive, dangerous, or time consuming. We propose a new approach to tune hyperparameters from offline logs of data, to fully specify the hyperparameters for an RL agent that learns online in the real world. The approach is conceptually simple: we first learn a model of the environment from the offline data, which we call a calibration model, and then simulate learning in the calibration model to identify promising hyperparameters. We identify several criteria to make this strategy effective, and develop an approach that satisfies these criteria. We empirically investigate the method in a variety of settings to identify when it is effective and when it fails.

In this paper we consider estimating the system parameters and designing stable observer for unknown noisy linear time-invariant (LTI) systems. We propose a Support Vector Regression (SVR) based estimator to provide adjustable asymmetric error interval for estimations. This estimator is capable to trade-off bias-variance of the estimation error by tuning parameter $\gamma > 0$ in the loss function. This method enjoys the same sample complexity of $\mathcal{O}(1/\sqrt{N})$ as the Ordinary Least Square (OLS) based methods but achieves a $\mathcal{O}(1/(\gamma+1))$ smaller variance. Then, a stable observer gain design procedure based on the estimations is proposed. The observation performance bound based on the estimations is evaluated by the mean square observation error, which is shown to be adjustable by tuning the parameter $\gamma$, thus achieving higher scalability than the OLS methods. The advantages of the estimation error bias-variance trade-off for observer design are also demonstrated through matrix spectrum and observation performance optimality analysis. Extensive simulation validations are conducted to verify the computed estimation error and performance optimality with different $\gamma$ and noise settings. The variances of the estimation error and the fluctuations in performance are smaller with a properly-designed parameter $\gamma$ compared with the OLS methods., Comment: Submitted to AUTOMATICA

Simultaneous Localization and Mapping (SLAM) is one of the most essential techniques in many real-world robotic applications. The assumption of static environments is common in most SLAM algorithms, which however, is not the case for most applications. Recent work on semantic SLAM aims to understand the objects in an environment and distinguish dynamic information from a scene context by performing image-based segmentation. However, the segmentation results are often imperfect or incomplete, which can subsequently reduce the quality of mapping and the accuracy of localization. In this paper, we present a robust multi-modal semantic framework to solve the SLAM problem in complex and highly dynamic environments. We propose to learn a more powerful object feature representation and deploy the mechanism of looking and thinking twice to the backbone network, which leads to a better recognition result to our baseline instance segmentation model. Moreover, both geometric-only clustering and visual semantic information are combined to reduce the effect of segmentation error due to small-scale objects, occlusion and motion blur. Thorough experiments have been conducted to evaluate the performance of the proposed method. The results show that our method can precisely identify dynamic objects under recognition imperfection and motion blur. Moreover, the proposed SLAM framework is able to efficiently build a static dense map at a processing rate of more than 10 Hz, which can be implemented in many practical applications. Both training data and the proposed method is open sourced at https://github.com/wh200720041/MMS_SLAM.

Magneto-optical effect has been widely used in light modulation, optical sensing and information storage. Recently discovered two-dimensional (2D) van der Waals layered magnets are considered as promising platforms for investigating novel magneto-optical phenomena and devices, due to the long-range magnetic ordering down to atomically-thin thickness, rich species and tunable properties. However, majority 2D antiferromagnets suffer from low luminescence efficiency which hinders their magneto-optical investigations and applications. Here, we uncover strong light-magnetic ordering interactions in 2D antiferromagnetic MnPS3 utilizing a newly-emerged near-infrared photoluminescence (PL) mode far below its intrinsic bandgap. This ingap PL mode shows strong correlation with the Neel ordering and persists down to monolayer thickness. Combining the DFT, STEM and XPS, we illustrate the origin of the PL mode and its correlation with Neel ordering, which can be attributed to the oxygen ion-mediated states. Moreover, the PL strength can be further tuned and enhanced using ultraviolet-ozone treatment. Our studies offer an effective approach to investigate light-magnetic ordering interactions in 2D antiferromagnetic semiconductors.

Driving trajectory representation learning is of great significance for various location-based services, such as driving pattern mining and route recommendation. However, previous representation generation approaches tend to rarely address three challenges: 1) how to represent the intricate semantic intentions of mobility inexpensively; 2) complex and weak spatial-temporal dependencies due to the sparsity and heterogeneity of the trajectory data; 3) route selection preferences and their correlation to driving behavior. In this paper, we propose a novel multimodal fusion model, DouFu, for trajectory representation joint learning, which applies multimodal learning and attention fusion module to capture the internal characteristics of trajectories. We first design movement, route, and global features generated from the trajectory data and urban functional zones and then analyze them respectively with the attention encoder or feed forward network. The attention fusion module incorporates route features with movement features to create a better spatial-temporal embedding. With the global semantic feature, DouFu produces a comprehensive embedding for each trajectory. We evaluate representations generated by our method and other baseline models on classification and clustering tasks. Empirical results show that DouFu outperforms other models in most of the learning algorithms like the linear regression and the support vector machine by more than 10%., Comment: 11 pages, 7 figures

The existence of multiple irregular obstacles in the environment introduces nonconvex constraints into the optimization for motion planning, which makes the optimal control problem hard to handle. One efficient approach to address this issue is Successive Convex Approximation (SCA), where the nonconvex problem is convexified and solved successively. However, this approach still faces two main challenges: I) infeasibility, caused by linearisation about infeasible reference points; ii) high computational complexity incurred by multiple constraints, when solving the optimal control problem with a long planning horizon and multiple obstacles. To overcome these challanges, this paper proposes an energy efficient safetyaware control method for motion planning with low computing complexity and address these challenges. Specifically, a control barrier function-based linear quadratic regulator is formulated for the motion planning to guarantee safety and energy efficiency. Then, to avoid infeasibility, Backward Receding SCA (BRSCA) approach with a dynamic constraints-selection rule is proposed. Dynamic programming with primal-dual iteration is designed to decrease computational complexity. It is found that BRSCA is applicable to time-varying control limits. Numerical simulations and hardware experiments vevify the efficiency of BRSCA. Simulations demonstrates that BRSCA has a higher probability of finding feasible solutions, reduces the computation time by about 17.4% and the energy cost by about four times compared to other methods in the literature.

The task assignment problem is fundamental in combinatorial optimisation, aiming at allocating one or more tasks to a number of agents while minimizing the total cost or maximizing the overall assignment benefit. This problem is known to be computationally hard since it is usually formulated as a mixed-integer programming problem. In this paper, we consider a novel time-triggered dimension reduction algorithm (TTDRA). We propose convexification approaches to convexify both the constraints and the cost function for the general non-convex assignment problem. The computational speed is accelerated via our time-triggered dimension reduction scheme, where the triggering condition is designed based on the optimality tolerance and the convexity of the cost function. Optimality and computational efficiency are verified via numerical simulations on benchmark examples.

In this paper we consider the safety verification and safe controller synthesis problems for nonlinear control systems. The Control Barrier Certificates (CBC) approach is proposed as an extension to the Barrier certificates approach. Our approach can be used to characterize the control invariance of a given set in terms of safety of a general nonlinear control system subject to input constraints. From the point of view of controller design, the proposed method provides an approach to synthesize a safe control law that guarantees that the trajectories of the system starting from a given initial set do not enter an unsafe set. Unlike the related control Barrier functions approach, our formulation only considers the vector field within the tangent cone of the zero level set defined by the certificates, and is shown to be less conservative by means of numerical evidence. For polynomial systems with semi-algebraic initial and safe sets, CBCs and safe control laws can be synthesized using sum-of-squares decomposition and semi-definite programming. Examples demonstrate our method.

The control Barrier function approach has been widely used for safe controller synthesis. By solving an online convex quadratic programming problem, an optimal safe controller can be synthesized implicitly in state-space. Since the solution is unique, the mapping from state-space to control inputs is injective, thus enabling us to evaluate the underlying relationship. In this paper we aim at explicitly synthesizing a safe control law as a function of the state for nonlinear control-affine systems with limited control ability. We propose to transform the online quadratic programming problem into an offline parameterized optimisation problem which considers states as parameters. The obtained explicit safe controller is shown to be a piece-wise Lipschitz continuous function over the partitioned state space if the program is feasible. We address the infeasible cases by solving a parameterized adaptive control Barrier function-based quadratic programming problem. Extensive simulation results show the state-space partition and the controller properties.

The Coronavirus disease 2019 (COVID-19) outbreak quickly spread around the world, resulting in over 240 million infections and 4 million deaths by Oct 2021. While the virus is spreading from person to person silently, fear has also been spreading around the globe. The COVID-19 information from the Australian Government is convincing but not timely or detailed, and there is much information on social networks with both facts and rumors. As software engineers, we have spontaneously and rapidly constructed a COVID-19 information dashboard aggregating reliable information semi-automatically checked from different sources for providing one-stop information sharing site about the latest status in Australia. Inspired by the John Hopkins University COVID-19 Map, our dashboard contains the case statistics, case distribution, government policy, latest news, with interactive visualization. In this paper, we present a participant's in-person observations in which the authors acted as founders of https://covid-19-au.com/ serving more than 830K users with 14M page views since March 2020. According to our first-hand experience, we summarize 9 lessons for developers, researchers and instructors. These lessons may inspire the development, research and teaching in software engineer aspects for coping with similar public crises in the future.

Collision avoidance is a widely investigated topic in robotic applications. When applying collision avoidance techniques to a mobile robot, how to deal with the spatial structure of the robot still remains a challenge. In this paper, we design a configuration-aware safe control law by solving a Quadratic Programming (QP) with designed Control Barrier Functions (CBFs) constraints, which can safely navigate a mobile robotic arm to a desired region while avoiding collision with environmental obstacles. The advantage of our approach is that it correctly and in an elegant way incorporates the spatial structure of the mobile robotic arm. This is achieved by merging geometric restrictions among mobile robotic arm links into CBFs constraints. Simulations on a rigid rod and the modeled mobile robotic arm are performed to verify the feasibility and time-efficiency of proposed method. Numerical results about the time consuming for different degrees of freedom illustrate that our method scales well with dimension., Comment: submitted to Conference of Decision and Control(CDC)

Prompt-based learning (i.e., prompting) is an emerging paradigm for exploiting knowledge learned by a pretrained language model. In this paper, we propose Automatic Multi-Label Prompting (AMuLaP), a simple yet effective method to automatically select label mappings for few-shot text classification with prompting. Our method exploits one-to-many label mappings and a statistics-based algorithm to select label mappings given a prompt template. Our experiments demonstrate that AMuLaP achieves competitive performance on the GLUE benchmark without human effort or external resources., Comment: NAACL 2022 (main conference)

We investigate the prospects for detecting axion-like particles (ALPs, dubbed as "a") via the decay $Z\rightarrow a f\bar{f}$ at future $Z$ factories. Considering the decay channels $a\rightarrow \mu^+ \mu^-$ and $a\rightarrow b \bar{b}$ , four types of signals $\mu^+ \mu^- /E$, $b b /E$, $e^+ e^- \mu^+ \mu^-$ and $e^+ e^- b b$ are explored. We demonstrate that these channels are promising for detecting ALPs at $Z$ factories and obtain the sensitivity bounds on the couplings $g_{aZZ}$ and $g_{a\gamma Z}$., Comment: 16 pages, 5 figures, submitted to Physical Review D

Low-dimensional materials with chain-like (one-dimensional) or layered (twodimensional) structures are of significant interest due to their anisotropic electrical, optical, thermal properties. One material with chain-like structure, BaTiS3 (BTS), was recently shown to possess giant in-plane optical anisotropy and glass-like thermal conductivity. To understand the origin of these effects, it is necessary to fully characterize the optical, thermal, and electronic anisotropy of BTS. To this end, BTS crystals with different orientations (aand c-axis orientations) were grown by chemical vapor transport. X-ray absorption spectroscopy (XAS) was used to characterize the local structure and electronic anisotropy of BTS. Fourier transform infrared (FTIR) reflection/transmission spectra show a large inplane optical anisotropy in the a-oriented crystals, while the c-axis oriented crystals were nearly isotropic in-plane. BTS platelet crystals are promising uniaxial materials for IR optics with their optic axis parallel to the c-axis. The thermal conductivity measurements revealed a thermal anisotropy of ~4.5 between the c- and a-axis. Time-domain Brillouin scattering showed that the longitudinal sound speed along the two axes is nearly the same suggesting that the thermal anisotropy is a result of different phonon scattering rates.

In this paper we investigate the properties of representations learned by deep reinforcement learning systems. Much of the early work on representations for reinforcement learning focused on designing fixed-basis architectures to achieve properties thought to be desirable, such as orthogonality and sparsity. In contrast, the idea behind deep reinforcement learning methods is that the agent designer should not encode representational properties, but rather that the data stream should determine the properties of the representation -- good representations emerge under appropriate training schemes. In this paper we bring these two perspectives together, empirically investigating the properties of representations that support transfer in reinforcement learning. We introduce and measure six representational properties over more than 25 thousand agent-task settings. We consider Deep Q-learning agents with different auxiliary losses in a pixel-based navigation environment, with source and transfer tasks corresponding to different goal locations. We develop a method to better understand why some representations work better for transfer, through a systematic approach varying task similarity and measuring and correlating representation properties with transfer performance. We demonstrate the generality of the methodology by investigating representations learned by a Rainbow agent that successfully transfer across games modes in Atari 2600.

Federated learning is a framework for distributed optimization that places emphasis on communication efficiency. In particular, it follows a client-server broadcast model and is particularly appealing because of its ability to accommodate heterogeneity in client compute and storage resources, non-i.i.d. data assumptions, and data privacy. Our contribution is to offer a new federated learning algorithm, FedADMM, for solving non-convex composite optimization problems with non-smooth regularizers. We prove converges of FedADMM for the case when not all clients are able to participate in a given communication round under a very general sampling model.

Due to its potential for implementing a scalable quantum computer, multiqubit Toffoli gate lies in the heart of quantum information processing. In this article, we demonstrate a multiqubit blockade gate with atoms arranged in a three-dimension spheroidal array. The gate performance is greatly improved by the method of optimizing control-qubit distributions on the spherical surface via evolutionary algorithm, which leads to an enhanced asymmetric Rydberg blockade. This spheroidal configuration, not only arises a well preservation for the dipole blockade energy between arbitrary control-target pairs, which keeps the asymmetric blockade error at a very low level; but also manifests an unprecedented robustness to the spatial position variations, leading to a negligible position error. Taking account of intrinsic errors and with typical experimental parameters, we numerically show that a C$_6$NOT Rydberg gate can be created with a fidelity of 0.992 which is only limited by the Rydberg state decays.Our protocol opens up a new platform of higher-dimensional atomic arrays for achieving multiqubit neutral-atom quantum computation., Comment: 14 pages, 7 figures, Physical Review Applied in press

Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model the dramatic change of both electronic structures and ion dynamics during such dynamic processes, the traditional method faces difficulties. Here, we demonstrate the ability of deep neural network (DNN) to capture the atomic local-environment dependence of electronic density of states (DOS) for both multicomponent system under exoplanet thermodynamic condition and nonequilibrium system during super-heated melting process. Large scale and time-resolved diagnosis of DOS can be efficiently achieved within the accuracy of ab initio method. Moreover, the atomic contribution to DOS given by DNN model accurately reveals the information of local neighborhood for selected atom, thus can serve as robust order parameters to identify different phases and intermediate local structures, strongly highlights the efficacy of this DNN model in studying dynamic processes., Comment: 7 Figures, accepted by PRB

Ferroelectric perovskites have been ubiquitously applied in piezoelectric devices for decades, among which, eco-friendly lead-free (K,Na)NbO3-based materials have been recently demonstrated to be an excellent candidate for sustainable development. Molecular dynamics is a versatile theoretical calculation approach for the investigation of the dynamical properties of ferroelectric perovskites. However, molecular dynamics simulation of ferroelectric perovskites has been limited to simple systems, since the conventional construction of interatomic potential is rather difficult and inefficient. In the present study, we construct a machine-learning interatomic potential of KNbO3 (as a representative system of (K,Na)NbO3) by using a deep neural network model. Including first-principles calculation data into the training dataset ensures the quantum-mechanics accuracy of the interatomic potential. The molecular dynamics based on machine-learning interatomic potential shows good agreement with the first-principles calculations, which can accurately predict multiple fundamental properties, e.g., atomic force, energy, elastic properties, and phonon dispersion. In addition, the interatomic potential exhibits satisfactory performance in the simulation of domain wall and temperature-dependent phase transition. The construction of interatomic potential based on machine learning could potentially be transferred to other ferroelectric perovskites and consequently benefits the theoretical study of ferroelectrics.

To fill the gap between accurate (and expensive) ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials, a new class of descriptions of atomic interactions has emerged and been widely applied; i.e., machine learning potentials (MLPs). One recently developed type of MLP is the Deep Potential (DP) method. In this review, we provide an introduction to DP methods in computational materials science. The theory underlying the DP method is presented along with a step-by-step introduction to their development and use. We also review materials applications of DPs in a wide range of materials systems. The DP Library provides a platform for the development of DPs and a database of extant DPs. We discuss the accuracy and efficiency of DPs compared with ab initio methods and empirical potentials.