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Context: Differential testing is a useful approach that uses different implementations of the same algorithms and compares the results for software testing. In recent years, this approach was successfully used for test campaigns of deep learning frameworks. Objective: There is little knowledge on the application of differential testing beyond deep learning. Within this article, we want to close this gap for classification algorithms. Method: We conduct a case study using Scikit-learn, Weka, Spark MLlib, and Caret in which we identify the potential of differential testing by considering which algorithms are available in multiple frameworks, the feasibility by identifying pairs of algorithms that should exhibit the same behavior, and the effectiveness by executing tests for the identified pairs and analyzing the deviations. Results: While we found a large potential for popular algorithms, the feasibility seems limited because often it is not possible to determine configurations that are the same in other frameworks. The execution of the feasible tests revealed that there is a large amount of deviations for the scores and classes. Only a lenient approach based on statistical significance of classes does not lead to a huge amount of test failures. Conclusions: The potential of differential testing beyond deep learning seems limited for research into the quality of machine learning libraries. Practitioners may still use the approach if they have deep knowledge about implementations, especially if a coarse oracle that only considers significant differences of classes is sufficient.

Sampling-based path planning algorithms usually implement uniform sampling methods to search the state space. However, uniform sampling may lead to unnecessary exploration in many scenarios, such as the environment with a few dead ends. Our previous work proposes to use the promising region to guide the sampling process to address the issue. However, the predicted promising regions are often disconnected, which means they cannot connect the start and goal state, resulting in a lack of probabilistic completeness. This work focuses on enhancing the connectivity of predicted promising regions. Our proposed method regresses the connectivity probability of the edges in the x and y directions. In addition, it calculates the weight of the promising edges in loss to guide the neural network to pay more attention to the connectivity of the promising regions. We conduct a series of simulation experiments, and the results show that the connectivity of promising regions improves significantly. Furthermore, we analyze the effect of connectivity on sampling-based path planning algorithms and conclude that connectivity plays an essential role in maintaining algorithm performance.

Fasteners play a critical role in securing various parts of machinery. Deformations such as dents, cracks, and scratches on the surface of fasteners are caused by material properties and incorrect handling of equipment during production processes. As a result, quality control is required to ensure safe and reliable operations. The existing defect inspection method relies on manual examination, which consumes a significant amount of time, money, and other resources; also, accuracy cannot be guaranteed due to human error. Automatic defect detection systems have proven impactful over the manual inspection technique for defect analysis. However, computational techniques such as convolutional neural networks (CNN) and deep learning-based approaches are evolutionary methods. By carefully selecting the design parameter values, the full potential of CNN can be realised. Using Taguchi-based design of experiments and analysis, an attempt has been made to develop a robust automatic system in this study. The dataset used to train the system has been created manually for M14 size nuts having two labeled classes: Defective and Non-defective. There are a total of 264 images in the dataset. The proposed sequential CNN comes up with a 96.3% validation accuracy, 0.277 validation loss at 0.001 learning rate.

Spinal cord injuries can often lead to quadriplegia in patients limiting their mobility. Wheelchairs could be a good proposition for patients, but most of them operate either manually or with the help of electric motors operated with a joystick. This, however, requires the use of hands, making it unsuitable for quadriplegic patients. Controlling eye movement, on the other hand, is retained even by people who undergo brain injury. Monitoring the movements in the eye can be a helpful tool in generating control signals for the wheelchair. This paper is an approach to converting obtained signals from the eye into meaningful signals by trying to control a bot that imitates a wheelchair. The overall system is cost-effective and uses simple image processing and pattern recognition to control the bot. An android application is developed, which could be used by the patients' aid for more refined control of the wheelchair in the actual scenario.

Internet traffic recognition is an essential tool for access providers since recognizing traffic categories related to different data packets transmitted on a network help them define adapted priorities. That means, for instance, high priority requirements for an audio conference and low ones for a file transfer, to enhance user experience. As internet traffic becomes increasingly encrypted, the mainstream classic traffic recognition technique, payload inspection, is rendered ineffective. This paper uses machine learning techniques for encrypted traffic classification, looking only at packet size and time of arrival. Spiking neural networks (SNN), largely inspired by how biological neurons operate, were used for two reasons. Firstly, they are able to recognize time-related data packet features. Secondly, they can be implemented efficiently on neuromorphic hardware with a low energy footprint. Here we used a very simple feedforward SNN, with only one fully-connected hidden layer, and trained in a supervised manner using the newly introduced method known as Surrogate Gradient Learning. Surprisingly, such a simple SNN reached an accuracy of 95.9% on ISCX datasets, outperforming previous approaches. Besides better accuracy, there is also a very significant improvement on simplicity: input size, number of neurons, trainable parameters are all reduced by one to four orders of magnitude. Next, we analyzed the reasons for this good accuracy. It turns out that, beyond spatial (i.e. packet size) features, the SNN also exploits temporal ones, mostly the nearly synchronous (within a 200ms range) arrival times of packets with certain sizes. Taken together, these results show that SNNs are an excellent fit for encrypted internet traffic classification: they can be more accurate than conventional artificial neural networks (ANN), and they could be implemented efficiently on low power embedded systems.

Quantum mechanical methods like Density Functional Theory (DFT) are used with great success alongside efficient search algorithms for studying kinetics of reactive systems. However, DFT is prohibitively expensive for large scale exploration. Machine Learning (ML) models have turned out to be excellent emulators of small molecule DFT calculations and could possibly replace DFT in such tasks. For kinetics, success relies primarily on the models capability to accurately predict the Potential Energy Surface (PES) around transition-states and Minimal Energy Paths (MEPs). Previously this has not been possible due to scarcity of relevant data in the literature. In this paper we train state of the art equivariant Graph Neural Network (GNN)-based models on around 10.000 elementary reactions from the Transition1x dataset. We apply the models as potentials for the Nudged Elastic Band (NEB) algorithm and achieve a Mean Average Error (MAE) of 0.13+/-0.03 eV on barrier energies on unseen reactions. We compare the results against equivalent models trained on QM9 and ANI1x. We also compare with and outperform Density Functional based Tight Binding (DFTB) on both accuracy and computational resource. The implication is that ML models, given relevant data, are now at a level where they can be applied for downstream tasks in quantum chemistry transcending prediction of simple molecular features.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.

Aspect based sentiment analysis (ABSA) can provide more detailed information than general sentiment analysis, because it aims to predict the sentiment polarities of the given aspects or entities in text. We summarize previous approaches into two subtasks: aspect-category sentiment analysis (ACSA) and aspect-term sentiment analysis (ATSA). Most previous approaches employ long short-term memory and attention mechanisms to predict the sentiment polarity of the concerned targets, which are often complicated and need more training time. We propose a model based on convolutional neural networks and gating mechanisms, which is more accurate and efficient. First, the novel Gated Tanh-ReLU Units can selectively output the sentiment features according to the given aspect or entity. The architecture is much simpler than attention layer used in the existing models. Second, the computations of our model could be easily parallelized during training, because convolutional layers do not have time dependency as in LSTM layers, and gating units also work independently. The experiments on SemEval datasets demonstrate the efficiency and effectiveness of our models.