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To benefit from the abundance of data and the insights it brings data processing pipelines are being used in many areas of research and development in both industry and academia. One approach to automating data processing pipelines is the workflow technology, as it also supports collaborative, trial-and-error experimentation with the pipeline architecture in different application domains. In addition to the necessary flexibility that such pipelines need to possess, in collaborative settings cross-organisational interactions are plagued by lack of trust. While capturing provenance information related to the pipeline execution and the processed data is a first step towards enabling trusted collaborations, the current solutions do not allow for provenance of the change in the processing pipelines, where the subject of change can be made on any aspect of the workflow implementing the pipeline and on the data used while the pipeline is being executed. Therefore in this work we provide a solution architecture and a proof of concept implementation of a service, called Provenance Holder, which enable provenance of collaborative, adaptive data processing pipelines in a trusted manner. We also contribute a definition of a set of properties of such a service and identify future research directions.

Recently, machine learning of the branch and bound algorithm has shown promise in approximating competent solutions to NP-hard problems. In this paper, we utilize and comprehensively compare the outcomes of three neural networks--graph convolutional neural network (GCNN), GraphSAGE, and graph attention network (GAT)--to solve the capacitated vehicle routing problem. We train these neural networks to emulate the decision-making process of the computationally expensive Strong Branching strategy. The neural networks are trained on six instances with distinct topologies from the CVRPLIB and evaluated on eight additional instances. Moreover, we reduced the minimum number of vehicles required to solve a CVRP instance to a bin-packing problem, which was addressed in a similar manner. Through rigorous experimentation, we found that this approach can match or improve upon the performance of the branch and bound algorithm with the Strong Branching strategy while requiring significantly less computational time. The source code that corresponds to our research findings and methodology is readily accessible and available for reference at the following web address: //isotlaboratory.github.io/ml4vrp

Anomaly detection requires detecting abnormal samples in large unlabeled datasets. While progress in deep learning and the advent of foundation models has produced powerful unsupervised anomaly detection methods, their deployment in practice is often hindered by the lack of labeled data -- without it, the detection accuracy of an anomaly detector cannot be evaluated reliably. In this work, we propose a general-purpose framework for evaluating image-based anomaly detectors with synthetically generated validation data. Our method assumes access to a small support set of normal images which are processed with a pre-trained diffusion model (our proposed method requires no training or fine-tuning) to produce synthetic anomalies. When mixed with normal samples from the support set, the synthetic anomalies create detection tasks that compose a validation framework for anomaly detection evaluation and model selection. In an extensive empirical study, ranging from natural images to industrial applications, we find that our synthetic validation framework selects the same models and hyper-parameters as selection with a ground-truth validation set. In addition, we find that prompts selected by our method for CLIP-based anomaly detection outperforms all other prompt selection strategies, and leads to the overall best detection accuracy, even on the challenging MVTec-AD dataset.

We consider a simple setting in neuroevolution where an evolutionary algorithm optimizes the weights and activation functions of a simple artificial neural network. We then define simple example functions to be learned by the network and conduct rigorous runtime analyses for networks with a single neuron and for a more advanced structure with several neurons and two layers. Our results show that the proposed algorithm is generally efficient on two example problems designed for one neuron and efficient with at least constant probability on the example problem for a two-layer network. In particular, the so-called harmonic mutation operator choosing steps of size $j$ with probability proportional to $1/j$ turns out as a good choice for the underlying search space. However, for the case of one neuron, we also identify situations with hard-to-overcome local optima. Experimental investigations of our neuroevolutionary algorithm and a state-of-the-art CMA-ES support the theoretical findings.

Recently, the large language models (LLMs) have shown extraordinary ability in understanding natural language and generating programming code. It has been a common practice of software engineers to consult LLMs when encountering coding questions. Although efforts have been made to avoid syntax errors and align the code with the intended semantics, the reliability and robustness of the code generationfrom LLMs have not yet been thoroughly studied. The executable code is not equivalent to the reliable and robust code, especially in the context of real-world software development. The misuse of APIs in the generated code could lead to severe problem, such as resource leaks, program crashes. To make things worse, the users of LLM code generation services are actually the developers that are most vulnerable to these code that seems right -- They are always novice developers that are not familiar with the APIs that LLMs generate code for them. Therefore, they could hardly tell the misuse in the code generated by LLMs, which further facilitates the incorrect code applied in real-world software. Existing code evaluation benchmark and datasets focus on crafting small tasks such as programming questions in coding interviews, which however deviates from the problem that developers would ask LLM for real-world coding help. To fill the missing piece, in this work, we propose a dataset RobustAPI for evaluating the reliability and robustness of code generated by LLMs. We collect 1208 coding questions from StackOverflow on 24 representative Java APIs. We summarize thecommon misuse patterns of these APIs and evaluate them oncurrent popular LLMs. The evaluation results show that evenfor GPT-4, 62% of the generated code contains API misuses,which would cause unexpected consequences if the code isintroduced into real-world software.

Differential privacy (DP), as a rigorous mathematical definition quantifying privacy leakage, has become a well-accepted standard for privacy protection. Combined with powerful machine learning techniques, differentially private machine learning (DPML) is increasingly important. As the most classic DPML algorithm, DP-SGD incurs a significant loss of utility, which hinders DPML's deployment in practice. Many studies have recently proposed improved algorithms based on DP-SGD to mitigate utility loss. However, these studies are isolated and cannot comprehensively measure the performance of improvements proposed in algorithms. More importantly, there is a lack of comprehensive research to compare improvements in these DPML algorithms across utility, defensive capabilities, and generalizability. We fill this gap by performing a holistic measurement of improved DPML algorithms on utility and defense capability against membership inference attacks (MIAs) on image classification tasks. We first present a taxonomy of where improvements are located in the machine learning life cycle. Based on our taxonomy, we jointly perform an extensive measurement study of the improved DPML algorithms. We also cover state-of-the-art label differential privacy (Label DP) algorithms in the evaluation. According to our empirical results, DP can effectively defend against MIAs, and sensitivity-bounding techniques such as per-sample gradient clipping play an important role in defense. We also explore some improvements that can maintain model utility and defend against MIAs more effectively. Experiments show that Label DP algorithms achieve less utility loss but are fragile to MIAs. To support our evaluation, we implement a modular re-usable software, DPMLBench, which enables sensitive data owners to deploy DPML algorithms and serves as a benchmark tool for researchers and practitioners.

In the context of computer models, calibration is the process of estimating unknown simulator parameters from observational data. Calibration is variously referred to as model fitting, parameter estimation/inference, an inverse problem, and model tuning. The need for calibration occurs in most areas of science and engineering, and has been used to estimate hard to measure parameters in climate, cardiology, drug therapy response, hydrology, and many other disciplines. Although the statistical method used for calibration can vary substantially, the underlying approach is essentially the same and can be considered abstractly. In this survey, we review the decisions that need to be taken when calibrating a model, and discuss a range of computational methods that can be used to compute Bayesian posterior distributions.

We generalize the familiar notion of periodicity in sequences to a new kind of pseudoperiodicity, and we prove some basic results about it. We revisit the results of a 2012 paper of Shevelev and reprove his results in a simpler and more unified manner, and provide a complete answer to one of his previously unresolved questions. We consider finding words with specific pseudoperiod and having the smallest possible critical exponent. Finally, we consider the problem of determining whether a finite word is pseudoperiodic of a given size, and show that it is NP-complete.

In this study, the statistical downscaling model (SDSM) is employed for downscaling the precipitation (PREC), maximum temperature (T max ) and minimum temperature (T min ) over Krishna River Basin (KRB). The Canadian Earth System Model, version 2 (CanESM2) General Circulation Model (GCM) outputs were considered as predictor variables. First, the SDSM is calibrated using 30-years (1961-1990) of data and subsequently validated for 15-years (1991-2005). Upon perceiving the satisfactory performance, the SDSM is further used for projecting the predictand variables (PRECP, T max and T min ) for the 21 st century considering three Representative Concentration Pathway (RCP) scenarios viz. RCP2.6, RCP4.5 and RCP8.5. The future period is divided into three 30-year time slices named epoch-1 (2011-2040), epoch-2 (2041-2070) and epoch-3 (2071-2100) respectively. Further, 1976-2005 is considered as baseline period and all the future results are compared with this data. The results were analysed at various temporal scales, i.e., monthly, seasonal and annual. The study reveals that the KRB is going to become wetter during all the seasons. The results are discussed for the worst-case scenario i.e., RCP8.5 epoch-3. The average annual maximum and minimum temperature is expected to increase. The extreme event analysis is also carried out considering the 90 th and 95 th percentile values. It is noticed that the extreme (90 th and 95 th percentiles) are going to increase. There are events more than extreme values. The outcome of this study can be used in flood modelling for the KRB and also for the modelling of future irrigation demands along with the planning of optimal irrigation in the KRB culturable command area.

For deploying a deep learning model into production, it needs to be both accurate and compact to meet the latency and memory constraints. This usually results in a network that is deep (to ensure performance) and yet thin (to improve computational efficiency). In this paper, we propose an efficient method to train a deep thin network with a theoretic guarantee. Our method is motivated by model compression. It consists of three stages. In the first stage, we sufficiently widen the deep thin network and train it until convergence. In the second stage, we use this well-trained deep wide network to warm up (or initialize) the original deep thin network. This is achieved by letting the thin network imitate the immediate outputs of the wide network from layer to layer. In the last stage, we further fine tune this well initialized deep thin network. The theoretical guarantee is established by using mean field analysis, which shows the advantage of layerwise imitation over traditional training deep thin networks from scratch by backpropagation. We also conduct large-scale empirical experiments to validate our approach. By training with our method, ResNet50 can outperform ResNet101, and BERT_BASE can be comparable with BERT_LARGE, where both the latter models are trained via the standard training procedures as in the literature.