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Energy Profiles of the Ring Puckering of Cyclopentane, Methylcyclopentane and Ethylcyclopentane
(2019)
Emotion and gender recognition from facial features are important properties of human empathy. Robots should also have these capabilities. For this purpose we have designed special convolutional modules that allow a model to recognize emotions and gender with a considerable lower number of parameters, enabling real-time evaluation on a constrained platform. We report accuracies of 96% in the IMDB gender dataset and 66% in the FER-2013 emotion dataset, while requiring a computation time of less than 0.008 seconds on a Core i7 CPU. All our code, demos and pre-trained architectures have been released under an open-source license in our repository at https://github.com/oarriaga/face classification.
Computer graphics research strives to synthesize images of a high visual realism that are indistinguishable from real visual experiences. While modern image synthesis approaches enable to create digital images of astonishing complexity and beauty, processing resources remain a limiting factor. Here, rendering efficiency is a central challenge involving a trade-off between visual fidelity and interactivity. For that reason, there is still a fundamental difference between the perception of the physical world and computer-generated imagery. At the same time, advances in display technologies drive the development of novel display devices. The dynamic range, the pixel densities, and refresh rates are constantly increasing. Display systems enable a larger visual field to be addressed by covering a wider field-of-view, due to either their size or in the form of head-mounted devices. Currently, research prototypes are ranging from stereo and multi-view systems, head-mounted devices with adaptable lenses, up to retinal projection, and lightfield/holographic displays. Computer graphics has to keep step with, as driving these devices presents us with immense challenges, most of which are currently unsolved. Fortunately, the human visual system has certain limitations, which means that providing the highest possible visual quality is not always necessary. Visual input passes through the eye’s optics, is filtered, and is processed at higher level structures in the brain. Knowledge of these processes helps to design novel rendering approaches that allow the creation of images at a higher quality and within a reduced time-frame. This thesis presents the state-of-the-art research and models that exploit the limitations of perception in order to increase visual quality but also to reduce workload alike - a concept we call perception-driven rendering. This research results in several practical rendering approaches that allow some of the fundamental challenges of computer graphics to be tackled. By using different tracking hardware, display systems, and head-mounted devices, we show the potential of each of the presented systems. The capturing of specific processes of the human visual system can be improved by combining multiple measurements using machine learning techniques. Different sampling, filtering, and reconstruction techniques aid the visual quality of the synthesized images. An in-depth evaluation of the presented systems including benchmarks, comparative examination with image metrics as well as user studies and experiments demonstrated that the methods introduced are visually superior or on the same qualitative level as ground truth, whilst having a significantly reduced computational complexity.
Modern Monte-Carlo-based rendering systems still suffer from the computational complexity involved in the generation of noise-free images, making it challenging to synthesize interactive previews. We present a framework suited for rendering such previews ofstatic scenes using a caching technique that builds upon a linkless octree. Our approach allows for memory-efficient storage and constant-time lookup to cache diffuse illumination at multiple hitpoints along the traced paths. Non-diffuse surfaces are dealt with in a hybrid way in order to reconstruct view-dependent illumination while maintaining interactive frame rates. By evaluating the visual fidelity against ground truth sequences and by benchmarking, we show that our approach compares well to low-noise path traced results, but with a greatly reduced computational complexity allowing for interactive frame rates. This way, our caching technique provides a useful tool for global illumination previews and multi-view rendering.
This work presents the preliminary research towards developing an adaptive tool for fault detection and diagnosis of distributed robotic systems, using explainable machine learning methods. Autonomous robots are complex systems that require high reliability in order to operate in different environments. Even more so, when considering distributed robotic systems, the task of fault detection and diagnosis becomes exponentially difficult.
To diagnose systems, models representing the behaviour under investigation need to be developed, and with distributed robotic systems generating large amount of data, machine learning becomes an attractive method of modelling especially because of its high performance. However, with current day methods such as artificial neural networks (ANNs), the issue of explainability arises where learnt models lack the ability to give explainable reasons behind their decisions.
This paper presents current trends in methods for data collection from distributed systems, inductive logic programming (ILP); an explainable machine learning method, and fault detection and diagnosis.
In the field of service robots, dealing with faults is crucial to promote user acceptance. In this context, this work focuses on some specific faults which arise from the interaction of a robot with its real world environment due to insufficient knowledge for action execution.
In our previous work [1], we have shown that such missing knowledge can be obtained through learning by experimentation. The combination of symbolic and geometric models allows us to represent action execution knowledge effectively. However we did not propose a suitable representation of the symbolic model.
In this work we investigate such symbolic representation and evaluate its learning capability. The experimental analysis is performed on four use cases using four different learning paradigms. As a result, the symbolic representation together with the most suitable learning paradigm are identified.
In Sensor-based Fault Detection and Diagnosis (SFDD) methods, spatial and temporal dependencies among the sensor signals can be modeled to detect faults in the sensors, if the defined dependencies change over time. In this work, we model Granger causal relationships between pairs of sensor data streams to detect changes in their dependencies. We compare the method on simulated signals with the Pearson correlation, and show that the method elegantly handles noise and lags in the signals and provides appreciable dependency detection. We further evaluate the method using sensor data from a mobile robot by injecting both internal and external faults during operation of the robot. The results show that the method is able to detect changes in the system when faults are injected, but is also prone to detecting false positives. This suggests that this method can be used as a weak detection of faults, but other methods, such as the use of a structural model, are required to reliably detect and diagnose faults.
Survival of patients with pediatric acute lymphoblastic leukemia (ALL) after allogeneic hematopoietic stem cell transplantation (allo-SCT) is mainly compromised by leukemia relapse, carrying dismal prognosis. As novel individualized therapeutic approaches are urgently needed, we performed whole-exome sequencing of leukemic blasts of 10 children with post–allo-SCT relapses with the aim of thoroughly characterizing the mutational landscape and identifying druggable mutations. We found that post–allo-SCT ALL relapses display highly diverse and mostly patient-individual genetic lesions. Moreover, mutational cluster analysis showed substantial clonal dynamics during leukemia progression from initial diagnosis to relapse after allo-SCT. Only very few alterations stayed constant over time. This dynamic clonality was exemplified by the detection of thiopurine resistance-mediating mutations in the nucleotidase NT5C2 in 3 patients’ first relapses, which disappeared in the post–allo-SCT relapses on relief of selective pressure of maintenance chemotherapy. Moreover, we identified TP53 mutations in 4 of 10 patients after allo-SCT, reflecting acquired chemoresistance associated with selective pressure of prior antineoplastic treatment. Finally, in 9 of 10 children’s post–allo-SCT relapse, we found alterations in genes for which targeted therapies with novel agents are readily available. We could show efficient targeting of leukemic blasts by APR-246 in 2 patients carrying TP53 mutations. Our findings shed light on the genetic basis of post–allo-SCT relapse and may pave the way for unraveling novel therapeutic strategies in this challenging situation.
Application developers constitute an important part of a digital platform’s ecosystem. Knowledge about psychological processes that drive developer behavior in platform ecosystems is scarce. We build on the lead userness construct which comprises two dimensions, trend leadership and high expected benefits from a solution, to explain how developers’ innovative work behavior (IWB) is stimulated. We employ an efficiencyoriented and a social-political perspective to investigate the relationship between lead userness and IWB. The efficiency-oriented view resonates well with the expected benefit dimension of lead userness, while the social-political view might be interpreted as a reflection of trend leadership. Using structural equation modeling, we test our model with a sample of over 400 developers from three platform ecosystems. We find that lead userness is indirectly associated with IWB and the performance-enhancing view to be the stronger predictor of IWB. Finally, we unravel differences between paid and unpaid app developers in platform ecosystems.
Data-Driven Robot Fault Detection and Diagnosis Using Generative Models: A Modified SFDD Algorithm
(2019)
This paper presents a modification of the data-driven sensor-based fault detection and diagnosis (SFDD) algorithm for online robot monitoring. Our version of the algorithm uses a collection of generative models, in particular restricted Boltzmann machines, each of which represents the distribution of sliding window correlations between a pair of correlated measurements. We use such models in a residual generation scheme, where high residuals generate conflict sets that are then used in a subsequent diagnosis step. As a proof of concept, the framework is evaluated on a mobile logistics robot for the problem of recognising disconnected wheels, such that the evaluation demonstrates the feasibility of the framework (on the faulty data set, the models obtained 88.6% precision and 75.6% recall rates), but also shows that the monitoring results are influenced by the choice of distribution model and the model parameters as a whole.
PosturePairsDB19
(2019)
The initially large number of variants is reduced by applying custom variant annotation and filtering procedures. This requires complex software toolchains to be set up and data sources to be integrated. Furthermore, increasing study sizes subsequently require higher efforts to manage datasets in a multi-user and multi-institution environment. It is common practice to expect numerous iterations of continuative respecification and refinement of filter strategies, when the cause for a disease or phenotype is unknown. Data analysis support during this phase is fundamental, because handling the large volume of data is not possible or inadequate for users with limited computer literacy. Constant feedback and communication is necessary when filter parameters are adjusted or the study grows with additional samples. Consequently, variant filtering and interpretation becomes time-consuming and hinders a dynamic and explorative data analysis by experts.
Traffic sign recognition is an important component of many advanced driving assistance systems, and it is required for full autonomous driving. Computational performance is usually the bottleneck in using large scale neural networks for this purpose. SqueezeNet is a good candidate for efficient image classification of traffic signs, but in our experiments it does not reach high accuracy, and we believe this is due to lack of data, requiring data augmentation. Generative adversarial networks can learn the high dimensional distribution of empirical data, allowing the generation of new data points. In this paper we apply pix2pix GANs architecture to generate new traffic sign images and evaluate the use of these images in data augmentation. We were motivated to use pix2pix to translate symbolic sign images to real ones due to the mode collapse in Conditional GANs. Through our experiments we found that data augmentation using GAN can increase classification accuracy for circular traffic signs from 92.1% to 94.0%, and for triangular traffic signs from 93.8% to 95.3%, producing an overall improvement of 2%. However some traditional augmentation techniques can outperform GAN data augmentation, for example contrast variation in circular traffic signs (95.5%) and displacement on triangular traffic signs (96.7 %). Our negative results shows that while GANs can be naively used for data augmentation, they are not always the best choice, depending on the problem and variability in the data.
Surrogate models are used to reduce the burden of expensive-to-evaluate objective functions in optimization. By creating models which map genomes to objective values, these models can estimate the performance of unknown inputs, and so be used in place of expensive objective functions. Evolutionary techniques such as genetic programming or neuroevolution commonly alter the structure of the genome itself. A lack of consistency in the genotype is a fatal blow to data-driven modeling techniques: interpolation between points is impossible without a common input space. However, while the dimensionality of genotypes may differ across individuals, in many domains, such as controllers or classifiers, the dimensionality of the input and output remains constant. In this work we leverage this insight to embed differing neural networks into the same input space. To judge the difference between the behavior of two neural networks, we give them both the same input sequence, and examine the difference in output. This difference, the phenotypic distance, can then be used to situate these networks into a common input space, allowing us to produce surrogate models which can predict the performance of neural networks regardless of topology. In a robotic navigation task, we show that models trained using this phenotypic embedding perform as well or better as those trained on the weight values of a fixed topology neural network. We establish such phenotypic surrogate models as a promising and flexible approach which enables surrogate modeling even for representations that undergo structural changes.
Are quality diversity algorithms better at generating stepping stones than objective-based search?
(2019)
The route to the solution of complex design problems often lies through intermediate "stepping stones" which bear little resemblance to the final solution. By greedily following the path of greatest fitness improvement, objective-based search overlooks and discards stepping stones which might be critical to solving the problem. Here, we hypothesize that Quality Diversity (QD) algorithms are a better way to generate stepping stones than objective-based search: by maintaining a large set of solutions which are of high-quality, but phenotypically different, these algorithms collect promising stepping stones while protecting them in their own "ecological niche". To demonstrate the capabilities of QD we revisit the challenge of recreating images produced by user-driven evolution, a classic challenge which spurred work in novelty search and illustrated the limits of objective-based search. We show that QD far outperforms objective-based search in matching user-evolved images. Further, our results suggest some intriguing possibilities for leveraging the diversity of solutions created by QD.
This work addresses the issue of finding an optimal flight zone for a side-by-side tracking and following Unmanned Aerial Vehicle(UAV) adhering to space-restricting factors brought upon by a dynamic Vector Field Extraction (VFE) algorithm. The VFE algorithm demands a relatively perpendicular field of view of the UAV to the tracked vehicle, thereby enforcing the space-restricting factors which are distance, angle and altitude. The objective of the UAV is to perform side-by-side tracking and following of a lightweight ground vehicle while acquiring high quality video of tufts attached to the side of the tracked vehicle. The recorded video is supplied to the VFE algorithm that produces the positions and deformations of the tufts over time as they interact with the surrounding air, resulting in an airflow model of the tracked vehicle. The present limitations of wind tunnel tests and computational fluid dynamics simulation suggest the use of a UAV for real world evaluation of the aerodynamic properties of the vehicle’s exterior. The novelty of the proposed approach is alluded to defining the specific flight zone restricting factors while adhering to the VFE algorithm, where as a result we were capable of formalizing a locally-static and a globally-dynamic geofence attached to the tracked vehicle and enclosing the UAV.
The initial phase in real world engineering optimization and design is a process of discovery in which not all requirements can be made in advance, or are hard to formalize. Quality diversity algorithms, which produce a variety of high performing solutions, provide a unique chance to support engineers and designers in the search for what is possible and high performing. In this work we begin to answer the question how a user can interact with quality diversity and turn it into an interactive innovation aid. By modeling a user's selection it can be determined whether the optimization is drifting away from the user's preferences. The optimization is then constrained by adding a penalty to the objective function. We present an interactive quality diversity algorithm that can take into account the user's selection. The approach is evaluated in a new multimodal optimization benchmark that allows various optimization tasks to be performed. The user selection drift of the approach is compared to a state of the art alternative on both a planning and a neuroevolution control task, thereby showing its limits and possibilities.
Herein we report an update to ACPYPE, a Python3 tool that now properly converts AMBER to GROMACS topologies for force fields that utilize nondefault and nonuniform 1–4 electrostatic and nonbonded scaling factors or negative dihedral force constants. Prior to this work, ACPYPE only converted AMBER topologies that used uniform, default 1–4 scaling factors and positive dihedral force constants. We demonstrate that the updated ACPYPE accurately transfers the GLYCAM06 force field from AMBER to GROMACS topology files, which employs non-uniform 1–4 scaling factors as well as negative dihedral force constants. Validation was performed using β-d-GlcNAc through gas-phase analysis of dihedral energy curves and probability density functions. The updated ACPYPE retains all of its original functionality, but now allows the simulation of complex glycomolecular systems in GROMACS using AMBER-originated force fields. ACPYPE is available for download at https://github.com/alanwilter/acpype.
Tell Your Robot What To Do: Evaluation of Natural Language Models for Robot Command Processing
(2019)
The use of natural language to indicate robot tasks is a convenient way to command robots. As a result, several models and approaches capable of understanding robot commands have been developed, which however complicates the choice of a suitable model for a given scenario. In this work, we present a comparative analysis and benchmarking of four natural language understanding models - Mbot, Rasa, LU4R, and ECG. We particularly evaluate the performance of the models to understand domestic service robot commands by recognizing the actions and any complementary information in them in three use cases: the RoboCup@Home General Purpose Service Robot (GPSR) category 1 contest, GPSR category 2, and hospital logistics in the context of the ROPOD project.
For robots acting - and failing - in everyday environments, a predictable behaviour representation is important so that it can be utilised for failure analysis, recovery, and subsequent improvement. Learning from demonstration combined with dynamic motion primitives is one commonly used technique for creating models that are easy to analyse and interpret; however, mobile manipulators complicate such models since they need the ability to synchronise arm and base motions for performing purposeful tasks. In this paper, we analyse dynamic motion primitives in the context of a mobile manipulator - a Toyota Human Support Robot (HSR)- and introduce a small extension of dynamic motion primitives that makes it possible to perform whole body motion with a mobile manipulator. We then present an extensive set of experiments in which our robot was grasping various everyday objects in a domestic environment, where a sequence of object detection, pose estimation, and manipulation was required for successfully completing the task. Our experiments demonstrate the feasibility of the proposed whole body motion framework for everyday object manipulation, but also illustrate the necessity for highly adaptive manipulation strategies that make better use of a robot's perceptual capabilities.
When developing robot functionalities, finite state machines are commonly used due to their straightforward semantics and simple implementation. State machines are also a natural implementation choice when designing robot experiments, as they generally lead to reproducible program execution. In practice, the implementation of state machines can lead to significant code repetition and may necessitate unnecessary code interaction when reparameterisation is required. In this paper, we present a small Python library that allows state machines to be specified, configured, and dynamically created using a minimal domain-specific language. We illustrate the use of the library in three different use cases - scenario definition in the context of the RoboCup@Home competition, experiment design in the context of the ROPOD project, as well as specification transfer between robots.
We present a novel, multilayer interaction approach that enables state transitions between spatially above-screen and 2D on-screen feedback layers. This approach supports the exploration of haptic features that are hard to simulate using rigid 2D screens. We accomplish this by adding a haptic layer above the screen that can be actuated and interacted with (pressed on) while the user interacts with on-screen content using pen input. The haptic layer provides variable firmness and contour feedback, while its membrane functionality affords additional tactile cues like texture feedback. Through two user studies, we look at how users can use the layer in haptic exploration tasks, showing that users can discriminate well between different firmness levels, and can perceive object contour characteristics. Demonstrated also through an art application, the results show the potential of multilayer feedback to extend on-screen feedback with additional widget, tool and surface properties, and for user guidance.
In the field of domestic service robots, recovery from faults is crucial to promote user acceptance. In this context, this work focuses on some specific faults which arise from the interaction of a robot with its real world environment. Even a well-modelled robot may fail to perform its tasks successfully due to external faults which occur because of an infinite number of unforeseeable and unmodelled situations. Through investigating the most frequent failures in typical scenarios which have been observed in real-world demonstrations and competitions using the autonomous service robots Care-O-Bot III and youBot, we identified four different fault classes caused by disturbances, imperfect perception, inadequate planning operator or chaining of action sequences. This thesis then presents two approaches to handle external faults caused by insufficient knowledge about the preconditions of the planning operator. The first approach presents reasoning on detected external faults using knowledge about naive physics. The naive physics knowledge is represented by the physical properties of objects which are formalized in a logical framework. The proposed approach applies a qualitative version of physical laws to these properties in order to reason. By interpreting the reasoning results the robot identifies the information about the situations which can cause the fault. Applying this approach to simple manipulation tasks like picking and placing objects show that naive physics holds great possibilities for reasoning on unknown external faults in robotics. The second approach includes missing knowledge about the execution of an action through learning by experimentation. Firstly, it investigates such representation of execution specific knowledge that can be learned for one particular situation and reused for situations which deviate from the original. The combination of symbolic and geometric models allows us to represent action execution knowledge effectively. This representation is called action execution model (AEM) here. The approach provides a learning strategy which uses a physical simulation for generating the training data to learn both symbolic and geometric aspects of the model. The experimental analysis, performed on two physical robots, shows that AEM can reliably describe execution specific knowledge and thereby serving as a potential model for avoiding the occurrence of external faults.
Treatment options for acute myeloid leukemia (AML) remain extremely limited and associated with significant toxicity. Nicotinamide phosphoribosyltransferase (NAMPT) is involved in the generation of NAD+ and a potential therapeutic target in AML. We evaluated the effect of KPT-9274, a p21-activated kinase 4/NAMPT inhibitor that possesses a unique NAMPT-binding profile based on in silico modeling compared with earlier compounds pursued against this target. KPT-9274 elicited loss of mitochondrial respiration and glycolysis and induced apoptosis in AML subtypes independent of mutations and genomic abnormalities. These actions occurred mainly through the depletion of NAD+, whereas genetic knockdown of p21-activated kinase 4 did not induce cytotoxicity in AML cell lines or influence the cytotoxic effect of KPT-9274. KPT-9274 exposure reduced colony formation, increased blast differentiation, and diminished the frequency of leukemia-initiating cells from primary AML samples; KPT-9274 was minimally cytotoxic toward normal hematopoietic or immune cells. In addition, KPT-9274 improved overall survival in vivo in 2 different mouse models of AML and reduced tumor development in a patient-derived xenograft model of AML. Overall, KPT-9274 exhibited broad preclinical activity across a variety of AML subtypes and warrants further investigation as a potential therapeutic agent for AML.