Data-driven Discovery: A New Era of Exploiting the Literature and Data

In the current data-intensive era, the traditional hands-on method of conducting scientific research by exploring related publications to generate a testable hypothesis is well on its way of becoming obsolete within just a year or two. Analyzing the literature and data to automatically generate a hypothesis might become the de facto approach to inform the core research efforts of those trying to master the exponentially rapid expansion of publications and datasets. Here, viewpoints are provided and discussed to help the understanding of challenges of data-driven discovery.

Data-Driven Discovery of Stochastic Differential Equations

Stochastic differential equations(SDEs)are mathematical models that are widely used to describe complex processes or phenomena perturbed by random noise from different sources.The identification of SDEs governing a system is often a challenge because of the inherent strong stochasticity of data and the complexity of the system’s dynamics.The practical utility of existing parametric approaches for identifying SDEs is usually limited by insufficient data resources.This study presents a novel framework for identifying SDEs by leveraging the sparse Bayesian learning(SBL)technique to search for a parsimonious,yet physically necessary representation from the space of candidate basis functions.More importantly,we use the analytical tractability of SBL to develop an efficient way to formulate the linear regression problem for the discovery of SDEs that requires considerably less time-series data.The effectiveness of the proposed framework is demonstrated using real data on stock and oil prices,bearing variation,and wind speed,as well as simulated data on well-known stochastic dynamical systems,including the generalized Wiener process and Langevin equation.This framework aims to assist specialists in extracting stochastic mathematical models from random phenomena in the natural sciences,economics,and engineering fields for analysis,prediction,and decision making.

Strategies for translating proteomics discoveries into drug discovery for dementia

Tauopathies,diseases characterized by neuropathological aggregates of tau including Alzheimer's disease and subtypes of fro ntotemporal dementia,make up the vast majority of dementia cases.Although there have been recent developments in tauopathy biomarkers and disease-modifying treatments,ongoing progress is required to ensure these are effective,economical,and accessible for the globally ageing population.As such,continued identification of new potential drug targets and biomarkers is critical."Big data"studies,such as proteomics,can generate information on thousands of possible new targets for dementia diagnostics and therapeutics,but currently remain underutilized due to the lack of a clear process by which targets are selected for future drug development.In this review,we discuss current tauopathy biomarkers and therapeutics,and highlight areas in need of improvement,particularly when addressing the needs of frail,comorbid and cognitively impaired populations.We highlight biomarkers which have been developed from proteomic data,and outline possible future directions in this field.We propose new criteria by which potential targets in proteomics studies can be objectively ranked as favorable for drug development,and demonstrate its application to our group's recent tau interactome dataset as an example.

Expert Experience and Data-Driven Based Hybrid Fault Diagnosis for High-SpeedWire Rod Finishing Mills

The reliable operation of high-speed wire rod finishing mills is crucial in the steel production enterprise.As complex system-level equipment,it is difficult for high-speed wire rod finishing mills to realize fault location and real-time monitoring.To solve the above problems,an expert experience and data-driven-based hybrid fault diagnosis method for high-speed wire rod finishing mills is proposed in this paper.First,based on its mechanical structure,time and frequency domain analysis are improved in fault feature extraction.The approach of combining virtual value,peak value with kurtosis value index,is adopted in time domain analysis.Speed adjustment and side frequency analysis are proposed in frequency domain analysis to obtain accurate component characteristic frequency and its corresponding sideband.Then,according to time and frequency domain characteristics,fault location based on expert experience is proposed to get an accurate fault result.Finally,the proposed method is implemented in the equipment intelligent diagnosis system.By taking an equipment fault on site,for example,the effectiveness of the proposed method is illustrated in the system.

Floating Waste Discovery by Request via Object-Centric Learning

Discovering floating wastes,especially bottles on water,is a crucial research problem in environmental hygiene.Nevertheless,real-world applications often face challenges such as interference from irrelevant objects and the high cost associated with data collection.Consequently,devising algorithms capable of accurately localizing specific objects within a scene in scenarios where annotated data is limited remains a formidable challenge.To solve this problem,this paper proposes an object discovery by request problem setting and a corresponding algorithmic framework.The proposed problem setting aims to identify specified objects in scenes,and the associated algorithmic framework comprises pseudo data generation and object discovery by request network.Pseudo-data generation generates images resembling natural scenes through various data augmentation rules,using a small number of object samples and scene images.The network structure of object discovery by request utilizes the pre-trained Vision Transformer(ViT)model as the backbone,employs object-centric methods to learn the latent representations of foreground objects,and applies patch-level reconstruction constraints to the model.During the validation phase,we use the generated pseudo datasets as training sets and evaluate the performance of our model on the original test sets.Experiments have proved that our method achieves state-of-the-art performance on Unmanned Aerial Vehicles-Bottle Detection(UAV-BD)dataset and self-constructed dataset Bottle,especially in multi-object scenarios.

Machine learning for membrane design and discovery

Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.

A comparative study of data-driven battery capacity estimation based on partial charging curves

With its generality and practicality, the combination of partial charging curves and machine learning(ML) for battery capacity estimation has attracted widespread attention. However, a clear classification,fair comparison, and performance rationalization of these methods are lacking, due to the scattered existing studies. To address these issues, we develop 20 capacity estimation methods from three perspectives:charging sequence construction, input forms, and ML models. 22,582 charging curves are generated from 44 cells with different battery chemistry and operating conditions to validate the performance. Through comprehensive and unbiased comparison, the long short-term memory(LSTM) based neural network exhibits the best accuracy and robustness. Across all 6503 tested samples, the mean absolute percentage error(MAPE) for capacity estimation using LSTM is 0.61%, with a maximum error of only 3.94%. Even with the addition of 3 m V voltage noise or the extension of sampling intervals to 60 s, the average MAPE remains below 2%. Furthermore, the charging sequences are provided with physical explanations related to battery degradation to enhance confidence in their application. Recommendations for using other competitive methods are also presented. This work provides valuable insights and guidance for estimating battery capacity based on partial charging curves.

Data-Driven Learning Control Algorithms for Unachievable Tracking Problems

For unachievable tracking problems, where the system output cannot precisely track a given reference, achieving the best possible approximation for the reference trajectory becomes the objective. This study aims to investigate solutions using the Ptype learning control scheme. Initially, we demonstrate the necessity of gradient information for achieving the best approximation.Subsequently, we propose an input-output-driven learning gain design to handle the imprecise gradients of a class of uncertain systems. However, it is discovered that the desired performance may not be attainable when faced with incomplete information.To address this issue, an extended iterative learning control scheme is introduced. In this scheme, the tracking errors are modified through output data sampling, which incorporates lowmemory footprints and offers flexibility in learning gain design.The input sequence is shown to converge towards the desired input, resulting in an output that is closest to the given reference in the least square sense. Numerical simulations are provided to validate the theoretical findings.

Data-driven casting defect prediction model for sand casting based on random forest classification algorithm

The complex sand-casting process combined with the interactions between process parameters makes it difficult to control the casting quality,resulting in a high scrap rate.A strategy based on a data-driven model was proposed to reduce casting defects and improve production efficiency,which includes the random forest(RF)classification model,the feature importance analysis,and the process parameters optimization with Monte Carlo simulation.The collected data includes four types of defects and corresponding process parameters were used to construct the RF model.Classification results show a recall rate above 90% for all categories.The Gini Index was used to assess the importance of the process parameters in the formation of various defects in the RF model.Finally,the classification model was applied to different production conditions for quality prediction.In the case of process parameters optimization for gas porosity defects,this model serves as an experimental process in the Monte Carlo method to estimate a better temperature distribution.The prediction model,when applied to the factory,greatly improved the efficiency of defect detection.Results show that the scrap rate decreased from 10.16% to 6.68%.

Towards cultivar-oriented gene discovery for better crops

The continued expansion of the world population,increasingly inconsistent climate and shrinking agricultural resources present major challenges to crop breeding.Fortunately,the increasing ability to discover and manipulate genes creates new opportunities to develop more productive and resilient cultivars.Many genes have been described in papers as being beneficial for yield increase.However,few of them have been translated into increased yield on farms.In contrast,commercial breeders are facing gene decidophobia,i.e.,puzzled about which gene to choose for breeding among the many identified,a huge chasm between gene discovery and cultivar innovation.The purpose of this paper is to draw attention to the shortfalls in current gene discovery research and to emphasise the need to align with cultivar innovation.The methodology dictates that genetic studies not only focus on gene discovery but also pay good attention to the genetic backgrounds,experimental validation in relevant environments,appropriate crop management,and data reusability.The close of the gaps should accelerate the application of molecular study in breeding and contribute to future global food security.

Identification of partial differential equations from noisy data with integrated knowledge discovery and embedding using evolutionary neural networks

Identification of underlying partial differential equations(PDEs)for complex systems remains a formidable challenge.In the present study,a robust PDE identification method is proposed,demonstrating the ability to extract accurate governing equations under noisy conditions without prior knowledge.Specifically,the proposed method combines gene expression programming,one type of evolutionary algorithm capable of generating unseen terms based solely on basic operators and functional terms,with symbolic regression neural networks.These networks are designed to represent explicit functional expressions and optimize them with data gradients.In particular,the specifically designed neural networks can be easily transformed to physical constraints for the training data,embedding the discovered PDEs to further optimize the metadata used for iterative PDE identification.The proposed method has been tested in four canonical PDE cases,validating its effectiveness without preliminary information and confirming its suitability for practical applications across various noise levels.

A Multi-Token Sector Antenna Neighbor Discovery Protocol for Directional Ad Hoc Networks

In this paper,we propose a Multi-token Sector Antenna Neighbor Discovery(M-SAND)protocol to enhance the efficiency of neighbor discovery in asynchronous directional ad hoc networks.The central concept of our work involves maintaining multiple tokens across the network.To prevent mutual interference among multi-token holders,we introduce the time and space non-interference theorems.Furthermore,we propose a master-slave strategy between tokens.When the master token holder(MTH)performs the neighbor discovery,it decides which 1-hop neighbor is the next MTH and which 2-hop neighbors can be the new slave token holders(STHs).Using this approach,the MTH and multiple STHs can simultaneously discover their neighbors without causing interference with each other.Building on this foundation,we provide a comprehensive procedure for the M-SAND protocol.We also conduct theoretical analyses on the maximum number of STHs and the lower bound of multi-token generation probability.Finally,simulation results demonstrate the time efficiency of the M-SAND protocol.When compared to the QSAND protocol,which uses only one token,the total neighbor discovery time is reduced by 28% when 6beams and 112 nodes are employed.

Noise-Tolerant ZNN-Based Data-Driven Iterative Learning Control for Discrete Nonaffine Nonlinear MIMO Repetitive Systems

Aiming at the tracking problem of a class of discrete nonaffine nonlinear multi-input multi-output(MIMO) repetitive systems subjected to separable and nonseparable disturbances, a novel data-driven iterative learning control(ILC) scheme based on the zeroing neural networks(ZNNs) is proposed. First, the equivalent dynamic linearization data model is obtained by means of dynamic linearization technology, which exists theoretically in the iteration domain. Then, the iterative extended state observer(IESO) is developed to estimate the disturbance and the coupling between systems, and the decoupled dynamic linearization model is obtained for the purpose of controller synthesis. To solve the zero-seeking tracking problem with inherent tolerance of noise,an ILC based on noise-tolerant modified ZNN is proposed. The strict assumptions imposed on the initialization conditions of each iteration in the existing ILC methods can be absolutely removed with our method. In addition, theoretical analysis indicates that the modified ZNN can converge to the exact solution of the zero-seeking tracking problem. Finally, a generalized example and an application-oriented example are presented to verify the effectiveness and superiority of the proposed process.

A hybrid physics-informed data-driven neural network for CO_(2) storage in depleted shale reservoirs

To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport processes.However,most current CO_(2) sequestration models do not adequately consider multiple transport mechanisms.Moreover,the evaluation of CO_(2) storage processes usually involves laborious and time-consuming numerical simulations unsuitable for practical prediction and decision-making.In this paper,an integrated model involving gas diffusion,adsorption,dissolution,slip flow,and Darcy flow is proposed to accurately characterize CO_(2) storage in depleted shale reservoirs,supporting the establishment of a training database.On this basis,a hybrid physics-informed data-driven neural network(HPDNN)is developed as a deep learning surrogate for prediction and inversion.By incorporating multiple sources of scientific knowledge,the HPDNN can be configured with limited simulation resources,significantly accelerating the forward and inversion processes.Furthermore,the HPDNN can more intelligently predict injection performance,precisely perform reservoir parameter inversion,and reasonably evaluate the CO_(2) storage capacity under complicated scenarios.The validation and test results demonstrate that the HPDNN can ensure high accuracy and strong robustness across an extensive applicability range when dealing with field data with multiple noise sources.This study has tremendous potential to replace traditional modeling tools for predicting and making decisions about CO_(2) storage projects in depleted shale reservoirs.

Data-Driven Modeling of Partially Observed Biological Systems

We present a numerical approach for modeling unknown dynamical systems using partially observed data,with a focus on biological systems with(relatively)complex dynamical behavior.As an extension of the recently developed deep neural network(DNN)learning methods,our approach is particularly suitable for practical situations when(i)measurement data are available for only a subset of the state variables,and(ii)the system parameters cannot be observed or measured at all.We demonstrate that,with a properly designed DNN structure with memory terms,effective DNN models can be learned from such partially observed data containing hidden parameters.The learned DNN model serves as an accurate predictive tool for system analysis.Through a few representative biological problems,we demonstrate that such DNN models can capture qualitative dynamical behavior changes in the system,such as bifurcations,even when the parameters controlling such behavior changes are completely unknown throughout not only the model learning process but also the system prediction process.The learned DNN model effectively creates a“closed”model involving only the observables when such a closed-form model does not exist mathematically.

Rediscovering Don Swanson:The Past,Present and Future of Literature-based Discovery

Purpose： The late Don R. Swanson was well appreciated during his lifetime as Dean of the Graduate Library School at University of Chicago, as winner of the American Society for Information Science Award of Merit for 2000, and as author of many seminal articles. In this informal essay, I will give my personal perspective on Don＇s contributions to science, and outline some current and future directions in literature-based discovery that are rooted in concepts that he developed.Design/methodology/approach： Personal recollections and literature review. Findings： The Swanson A-B-C model of literature-based discovery has been successfully used by laboratory investigators analyzing their findings and hypotheses. It continues to be a fertile area of research in a wide range of application areas including text mining, drug repurposing, studies of scientific innovation, knowledge discovery in databases, and bioinformatics. Recently, additional modes of discovery that do not follow the A-B-C model have also been proposed and explored （e.g. so-called storytelling, gaps, analogies, link prediction, negative consensus, outliers, and revival of neglected or discarded research questions）. Research limitations： This paper reflects the opinions of the author and is not a comprehensive nor technically based review of literature-based discovery. Practical implications： The general scientific public is still not aware of the availability of tools for literature-based discovery. Our Arrowsmith project site maintains a suite of discovery tools that are free and open to the public （http：//arrowsmith.psych.uic.edu）, as does BITOLA which is maintained by Dmitar Hristovski （http：// http：//ibmi.mf.uni-lj.si/bitola）, and Epiphanet which is maintained by Trevor Cohen （http：//epiphanet.uth.tme.edu/）. Bringing user-friendly tools to the public should be a high priority, since even more than advancing basic research in informatics, it is vital that we ensure that scientists actually use discovery tools and that these are actually able to help them make experimental discoveries in the lab and in the clinic. Originality/value： This paper discusses problems and issues which were inherent in Don＇s thoughts during his life, including those which have not yet been fully taken up and studied systematically.

Data-Driven Deep Learning for OTFS Detection

Recently,orthogonal time frequency space(OTFS)was presented to alleviate severe Doppler effects in high mobility scenarios.Most of the current OTFS detection schemes rely on perfect channel state information(CSI).However,in real-life systems,the parameters of channels will constantly change,which are often difficult to capture and describe.In this paper,we summarize the existing research on OTFS detection based on data-driven deep learning(DL)and propose three new network structures.The presented three networks include a residual network(ResNet),a dense network(DenseNet),and a residual dense network(RDN)for OTFS detection.The detection schemes based on data-driven paradigms do not require a model that is easy to handle mathematically.Meanwhile,compared with the existing fully connected-deep neural network(FC-DNN)and standard convolutional neural network(CNN),these three new networks can alleviate the problems of gradient explosion and gradient disappearance.Through simulation,it is proved that RDN has the best performance among the three proposed schemes due to the combination of shallow and deep features.RDN can solve the issue of performance loss caused by the traditional network not fully utilizing all the hierarchical information.

Data-Driven Control of Distributed Event-Triggered Network Systems

The present paper deals with data-driven event-triggered control of a class of unknown discrete-time interconnected systems(a.k.a.network systems).To this end,we start by putting forth a novel distributed event-triggering transmission strategy based on periodic sampling,under which a model-based stability criterion for the closed-loop network system is derived,by leveraging a discrete-time looped-functional approach.Marrying the model-based criterion with a data-driven system representation recently developed in the literature,a purely data-driven stability criterion expressed in the form of linear matrix inequalities(LMIs)is established.Meanwhile,the data-driven stability criterion suggests a means for co-designing the event-triggering coefficient matrix and the feedback control gain matrix using only some offline collected state-input data.Finally,numerical results corroborate the efficacy of the proposed distributed data-driven event-triggered network system(ETS)in cutting off data transmissions and the co-design procedure.

DADOS:A Cloud-based Data-driven Design Optimization System

This paper presents a cloud-based data-driven design optimization system,named DADOS,to help engineers and researchers improve a design or product easily and efficiently.DADOS has nearly 30 key algorithms,including the design of experiments,surrogate models,model validation and selection,prediction,optimization,and sensitivity analysis.Moreover,it also includes an exclusive ensemble surrogate modeling technique,the extended hybrid adaptive function,which can make use of the advantages of each surrogate and eliminate the effort of selecting the appropriate individual surrogate.To improve ease of use,DADOS provides a user-friendly graphical user interface and employed flow-based programming so that users can conduct design optimization just by dragging,dropping,and connecting algorithm blocks into a workflow instead of writing massive code.In addition,DADOS allows users to visualize the results to gain more insights into the design problems,allows multi-person collaborating on a project at the same time,and supports multi-disciplinary optimization.This paper also details the architecture and the user interface of DADOS.Two examples were employed to demonstrate how to use DADOS to conduct data-driven design optimization.Since DADOS is a cloud-based system,anyone can access DADOS at www.dados.com.cn using their web browser without the need for installation or powerful hardware.