Search

The spinel Li4Ti5O12 (LTO) has emerged as a promising anode material for the next generation of all-solid-state Li-ion batteries (ASSB), primarily due to its characteristic "zero strain" charge/discharge behavior and exceptional cycling stability, which significantly prolongs battery lifespan. Pristine LTO, however, is hindered by poor ionic and electronic conductivity. By employing tailored sintering protocols that create oxygen vacancies, a high-performing, blue LTO material is achieved. It has been proposed that the increased electronic conductivity could stem from vacancy-induced polarons. Yet, detailed insights into polaron stability, distribution, and dynamics within both the LTO bulk and surface have remained elusive due to limited information on structural changes. Utilizing Positron Annihilation Lifetime Spectroscopy (PALS) and Coincidence Doppler Broadening Spectroscopy (CDBS), in conjunction with Two Component Density Functional Theory (TCDFT) with the on-site Hubbard U correction, enables us to probe the depth profile of defect species introduced by sintering in a reductive environment. Our research provides direct evidence of oxygen vacancy formation within the subsurface region, an inference drawn from the observation of \ch{Ti^{3+}}. Our investigation into Li16d vacancy formation within the bulk region uncovers the interactions between mobile species, namely Li-ions and polarons. Furthermore, we delve into the polaron stability on the LTO surface, offering an explanation for the superior performance of the (100) facet exposed LTO nanoparticle, as compared to its (111) exposed counterpart.

Dynamic Vision Sensors (DVS), offer a unique advantage in control applications, due to their high temporal resolution, and asynchronous event-based data. Still, their adoption in machine learning algorithms remains limited. To address this gap, and promote the development of models that leverage the specific characteristics of DVS data, we introduce the Multi-Modal Dynamic-Vision-Sensor Line Following dataset (MMDVS-LF). This comprehensive dataset, is the first to integrate multiple sensor modalities, including DVS recordings, RGB video, odometry, and Inertial Measurement Unit (IMU) data, from a small-scale standardized vehicle. Additionally, the dataset includes eye-tracking and demographic data of drivers performing a Line Following task on a track. With its diverse range of data, MMDVS-LF opens new opportunities for developing deep learning algorithms, and conducting data science projects across various domains, supporting innovation in autonomous systems and control applications.

We analyzed the Hartree-Fock approximation for an electron system. The interaction between particles is modeled by a non-Coulombian potential. We analyzed both the three-dimensional and two-dimensional systems. We obtained accurate analytical results for the particle energy, the particle velocity, the ground state energy of the system as well as the momentum dependent density of states. The previous classical results for the Coulombian case were reobtained as particular cases., Comment: 23 pages, 3 figures

Accurate segmentation of prostate tumours from PET images presents a formidable challenge in medical image analysis. Despite considerable work and improvement in delineating organs from CT and MR modalities, the existing standards do not transfer well and produce quality results in PET related tasks. Particularly, contemporary methods fail to accurately consider the intensity-based scaling applied by the physicians during manual annotation of tumour contours. In this paper, we observe that the prostate-localised uptake threshold ranges are beneficial for suppressing outliers. Therefore, we utilize the intensity threshold values, to implement a new custom-feature-clipping normalisation technique. We evaluate multiple, established U-Net variants under different normalisation schemes, using the nnU-Net framework. All models were trained and tested on multiple datasets, obtained with two radioactive tracers: [68-Ga]Ga-PSMA-11 and [18-F]PSMA-1007. Our results show that the U-Net models achieve much better performance when the PET scans are preprocessed with our novel clipping technique.

Acute Leukemia is the most common hematologic malignancy in children and adolescents. A key methodology in the diagnostic evaluation of this malignancy is immunophenotyping based on Multiparameter Flow Cytometry (FCM). However, this approach is manual, and thus time-consuming and subjective. To alleviate this situation, we propose in this paper the FCM-Former, a machine learning, self-attention based FCM-diagnostic tool, automating the immunophenotyping assessment in Childhood Acute Leukemia. The FCM-Former is trained in a supervised manner, by directly using flow cytometric data. Our FCM-Former achieves an accuracy of 96.5% assigning lineage to each sample among 960 cases of either acute B-cell, T-cell lymphoblastic, and acute myeloid leukemia (B-ALL, T-ALL, AML). To the best of our knowledge, the FCM-Former is the first work that automates the immunophenotyping assessment with FCM data in diagnosing pediatric Acute Leukemia., Comment: The paper has been accepted at IEEE EMBS 2024 (46th Annual International Conference of the IEEE Engineering in Medicine and Biology Society)

Background: The aim of this study was to investigate the role of clinical, dosimetric and pretherapeutic magnetic resonance imaging (MRI) features for lesion-specific outcome prediction of stereotactic radiotherapy (SRT) in patients with brain metastases from malignant melanoma (MBM). Methods: In this multicenter, retrospective analysis, we reviewed 517 MBM from 130 patients treated with SRT (single fraction or hypofractionated). For each gross tumor volume (GTV) 1576 radiomic features (RF) were calculated (788 each for the GTV and for a 3 mm margin around the GTV). Clinical parameters, radiation dose and RF from pretherapeutic contrast-enhanced T1-weighted MRI from different institutions were evaluated with a feature processing and elimination pipeline in a nested cross-validation scheme. Results: Seventy-two (72) of 517 lesions (13.9%) showed a local failure (LF) after SRT. The processing pipeline showed clinical, dosimetric and radiomic features providing information for LF prediction. The most prominent ones were the correlation of the gray level co-occurrence matrix of the margin (hazard ratio (HR): 0.37, confidence interval (CI): 0.23-0.58) and systemic therapy before SRT (HR: 0.55, CI: 0.42-0.70). The majority of RF associated with LF was calculated in the margin around the GTV. Conclusions: Pretherapeutic MRI based RF connected with lesion-specific outcome after SRT could be identified, despite multicentric data and minor differences in imaging protocols. Image data analysis of the surrounding metastatic environment may provide therapy-relevant information with the potential to further individualize radiotherapy strategies.

The automated generation of diverse and complex training scenarios has been an important ingredient in many complex learning tasks. Especially in real-world application domains, such as autonomous driving, auto-curriculum generation is considered vital for obtaining robust and general policies. However, crafting traffic scenarios with multiple, heterogeneous agents is typically considered as a tedious and time-consuming task, especially in more complex simulation environments. In our work, we introduce MATS-Gym, a Multi-Agent Traffic Scenario framework to train agents in CARLA, a high-fidelity driving simulator. MATS-Gym is a multi-agent training framework for autonomous driving that uses partial scenario specifications to generate traffic scenarios with variable numbers of agents. This paper unifies various existing approaches to traffic scenario description into a single training framework and demonstrates how it can be integrated with techniques from unsupervised environment design to automate the generation of adaptive auto-curricula. The code is available at https://github.com/AutonomousDrivingExaminer/mats-gym., Comment: 7 Pages, Under Review

We introduce liquid-resistance liquid-capacitance neural networks (LRCs), a neural-ODE model which considerably improve the generalization, accuracy, and biological plausibility of electrical equivalent circuits (EECs), liquid time-constant networks (LTCs), and saturated liquid time-constant networks (STCs), respectively. We also introduce LRC units (LRCUs), as a very efficient and accurate gated RNN-model, which results from solving LRCs with an explicit Euler scheme using just one unfolding. We empirically show and formally prove that the liquid capacitance of LRCs considerably dampens the oscillations of LTCs and STCs, while at the same time dramatically increasing accuracy even for cheap solvers. We experimentally demonstrate that LRCs are a highly competitive alternative to popular neural ODEs and gated RNNs in terms of accuracy, efficiency, and interpretability, on classic time-series benchmarks and a complex autonomous-driving lane-keeping task.

Recent advances in depthwise-separable convolutional neural networks (DS-CNNs) have led to novel architectures, that surpass the performance of classical CNNs, by a considerable scalability and accuracy margin. This paper reveals another striking property of DS-CNN architectures: discernible and explainable patterns emerge in their trained depthwise convolutional kernels in all layers. Through an extensive analysis of millions of trained filters, with different sizes and from various models, we employed unsupervised clustering with autoencoders, to categorize these filters. Astonishingly, the patterns converged into a few main clusters, each resembling the difference of Gaussian (DoG) functions, and their first and second-order derivatives. Notably, we were able to classify over 95\% and 90\% of the filters from state-of-the-art ConvNextV2 and ConvNeXt models, respectively. This finding is not merely a technological curiosity; it echoes the foundational models neuroscientists have long proposed for the vision systems of mammals. Our results thus deepen our understanding of the emergent properties of trained DS-CNNs and provide a bridge between artificial and biological visual processing systems. More broadly, they pave the way for more interpretable and biologically-inspired neural network designs in the future.

In this paper we propose real-time recurrent reinforcement learning (RTRRL), a biologically plausible approach to solving discrete and continuous control tasks in partially-observable markov decision processes (POMDPs). RTRRL consists of three parts: (1) a Meta-RL RNN architecture, implementing on its own an actor-critic algorithm; (2) an outer reinforcement learning algorithm, exploiting temporal difference learning and dutch eligibility traces to train the Meta-RL network; and (3) random-feedback local-online (RFLO) learning, an online automatic differentiation algorithm for computing the gradients with respect to parameters of the network.Our experimental results show that by replacing the optimization algorithm in RTRRL with the biologically implausible back propagation through time (BPTT), or real-time recurrent learning (RTRL), one does not improve returns, while matching the computational complexity for BPTT, and even increasing complexity for RTRL. RTRRL thus serves as a model of learning in biological neural networks, mimicking reward pathways in the basal ganglia., Comment: 14 pages, 9 figures, includes Appendix

Although coveted in applications, few materials expand when subject to compression or contract under decompression, i.e., exhibit the negative compressibility phenomenon. A key step to achieve such counterintuitive behaviour is the destabilisations of (meta)stable equilibria of the constituents. Here, we propose a simple strategy to obtain negative compressibility exploiting capillary forces both to precompress the elastic material and to release such precompression by a threshold phenomenon -- the reversible formation of a bubble in a lyophobic flexible cavity. We demonstrate that the solid part of such metastable elastocapillary systems displays negative compressibility across different scales: hydrophobic microporous materials, proteins, and millimetre-sized laminae. This concept is applicable to fields such as porous materials, biomolecules, sensors and may be easily extended to create unexpected material susceptibilities.

Understanding the physics of a three-phase contact line between gas, liquid, and solid is important for numerous applications. At the macroscale, the three-phase contact line response to an external force action is often characterized by a contact angle hysteresis, and several models are presented in the literature for its description. Yet, there is still a need for more information about such model applications at the nanoscale. In this study, a molecular dynamics approach was used to investigate the shape of a liquid droplet under an external force for different wetting regimes. In addition, an analytic model for describing the droplet shape was developed. It gives us the possibility to evaluate the receding and advancing wetting angle accurately. With our modeling, we found that the interplay between capillary forces and viscous forces is crucial to characterize the droplet shape at the nanoscale. In this frame, the importance of the rolling movement of the interface between liquid and vapor was pointed out. We also demonstrate that in the range of the external forces when capillary forces are most significant compared to others, hysteresis is well described by the macroscale Cox-Voinov model.

Ensuring safety in dynamic multi-agent systems is challenging due to limited information about the other agents. Control Barrier Functions (CBFs) are showing promise for safety assurance but current methods make strong assumptions about other agents and often rely on manual tuning to balance safety, feasibility, and performance. In this work, we delve into the problem of adaptive safe learning for multi-agent systems with CBF. We show how emergent behavior can be profoundly influenced by the CBF configuration, highlighting the necessity for a responsive and dynamic approach to CBF design. We present ASRL, a novel adaptive safe RL framework, to fully automate the optimization of policy and CBF coefficients, to enhance safety and long-term performance through reinforcement learning. By directly interacting with the other agents, ASRL learns to cope with diverse agent behaviours and maintains the cost violations below a desired limit. We evaluate ASRL in a multi-robot system and a competitive multi-agent racing scenario, against learning-based and control-theoretic approaches. We empirically demonstrate the efficacy and flexibility of ASRL, and assess generalization and scalability to out-of-distribution scenarios. Code and supplementary material are public online., Comment: Update with appendix

Robust and efficient learning remains a challenging problem in robotics, in particular with complex visual inputs. Inspired by human attention mechanism, with which we quickly process complex visual scenes and react to changes in the environment, we think that embedding auxiliary information about focus point into robot learning would enhance efficiency and robustness of the learning process. In this paper, we propose a novel approach to model and emulate the human attention with an approximate prediction model. We then leverage this output and feed it as a structured auxiliary feature map into downstream learning tasks. We validate this idea by learning a prediction model from human-gaze recordings of manual driving in the real world. We test our approach on two learning tasks - object detection and imitation learning. Our experiments demonstrate that the inclusion of predicted human attention leads to improved robustness of the trained models to out-of-distribution samples and faster learning in low-data regime settings. Our work highlights the potential of incorporating structured auxiliary information in representation learning for robotics and opens up new avenues for research in this direction. All code and data are available online., Comment: This work has been accepted for the RAP4Robots workshop at ICRA 2023 in London

Modern tourism in the 21st century is facing numerous challenges. Among these the rapidly growing number of tourists visiting space-limited regions like historical cities, museums and bottlenecks such as bridges is one of the biggest. In this context, a proper and accurate prediction of tourism volume and tourism flow within a certain area is important and critical for visitor management tasks such as sustainable treatment of the environment and prevention of overcrowding. Static flow control methods like conventional low-level controllers or limiting access to overcrowded venues could not solve the problem yet. In this paper, we empirically evaluate the performance of state-of-the-art deep-learning methods such as RNNs, GNNs, and Transformers as well as the classic statistical ARIMA method. Granular limited data supplied by a tourism region is extended by exogenous data such as geolocation trajectories of individual tourists, weather and holidays. In the field of visitor flow prediction with sparse data, we are thereby capable of increasing the accuracy of our predictions, incorporating modern input feature handling as well as mapping geolocation data on top of discrete POI data., Comment: Accepted for publication at the proceedings of the 5th International Data Science Conference - iDSC2023. arXiv admin note: substantial text overlap with arXiv:2206.13274

This paper presents, in a unified fashion, deterministic as well as statistical Lagrangian-verification techniques. They formally quantify the behavioral robustness of any time-continuous process, formulated as a continuous-depth model. To this end, we review LRT-NG, SLR, and GoTube, algorithms for constructing a tight reachtube, that is, an over-approximation of the set of states reachable within a given time-horizon, and provide guarantees for the reachtube bounds. We compare the usage of the variational equations, associated to the system equations, the mean value theorem, and the Lipschitz constants, in achieving deterministic and statistical guarantees. In LRT-NG, the Lipschitz constant is used as a bloating factor of the initial perturbation, to compute the radius of an ellipsoid in an optimal metric, which over-approximates the set of reachable states. In SLR and GoTube, we get statistical guarantees, by using the Lipschitz constants to compute local balls around samples. These are needed to calculate the probability of having found an upper bound, of the true maximum perturbation at every timestep. Our experiments demonstrate the superior performance of Lagrangian techniques, when compared to LRT, Flow*, and CAPD, and illustrate their use in the robustness analysis of various continuous-depth models., Comment: arXiv admin note: text overlap with arXiv:2107.08467

In this work, physical dealloying was explored as a simple and green method to microstructure the surface of commercial brass for pool boiling heat transfer coefficient enhancement. Three samples were dealloyed for 0.5, 1 and 3 hours at 650 C, turning the smooth surface into a porous one with a depth of 175, 200 and 223 um. The boiling experiments carried out in ethanol at 78 C have shown, that the maximum enhancement of heat transfer coefficient between 110 and 150% was achieved for the sample dealloyed for 0.5 h. Longer intervals of dealloying reduce boiling performance, but it is still much higher compared to smooth brass. This simple method can be customized for various thermal management equipment, such as conventional, plate and micro heat exchangers, all types of heat pipes, HVAC equipment etc., where the heat transfer occurs with phase change., Comment: 19 pages, 10 figures

Hydrophobic nanoporous materials can be intruded by water only by exerting an external action, typically increasing pressure. For some materials, water extrudes when the pressure is lowered again. Controlling intrusion/extrusion hysteresis is central in a number of technological applications, including materials for energy applications and for high performance liquid chromatography, and experimental techniques, as liquid porosimetry, but is still far from being understood. In this work, we consider water intrusion and extrusion in common mesoporous materials grafted with hydrophobic chains, showing that the macroscopic properties of the system are significantly affected by subnanometric heterogeneities in the grafting. For example, intrusion and extrusion pressures can vary more than 20 MPa depending on the chain length and density of the grafting. Coarse-grained molecular dynamics simulations reveal that local changes of radius and contact angle produced by grafting heterogeneities can pin the interface during intrusion or facilitate bubble nucleation in extrusion. These unprecedented microscopic insights can directly impact the design of energy materials and chromatography columns, as well as the interpretation of porosimetry results.

We theoretically analyze phonon-assisted tunneling transport in a quantum dot side connected to a Majorana bound state in a topological superconducting nanowire. We investigate the behavior of the current through the dot, for a range of experimentally relevant parameters, in the presence of one long-wave optical phonon mode. We consider the current-gate voltage, the current-bias voltage and the current-dot-Majorana coupling characteristics under the influence of the electron-phonon coupling. In the absence of electron-phonon interaction, the Majorana bound states suppress the current when the gate voltage matches the Fermi level, but the increase in the bias voltage counteracts this effect. In the presence of electron-phonon coupling, the current behaves similarly as a function of the renormalized gate voltage. As an added feature at large bias voltages, it presents a dip or a plateau, depending on the size of the dot-Majorana coupling. Lastly, we show that the currents are most sensitive to, and depend non-trivially on the parameters of the Majorana circuit element, in the regime of low temperatures combined with low voltages. Our results provide insights into the complex physics of quantum dot devices used to probe Majorana bound states., Comment: 10 pages, 6 figures

The approximation capability of ANNs and their RNN instantiations, is strongly correlated with the number of parameters packed into these networks. However, the complexity barrier for human understanding, is arguably related to the number of neurons and synapses in the networks, and to the associated nonlinear transformations. In this paper we show that the use of biophysical synapses, as found in LTCs, have two main benefits. First, they allow to pack more parameters for a given number of neurons and synapses. Second, they allow to formulate the nonlinear-network transformation, as a linear system with state-dependent coefficients. Both increase interpretability, as for a given task, they allow to learn a system linear in its input features, that is smaller in size compared to the state of the art. We substantiate the above claims on various time-series prediction tasks, but we believe that our results are applicable to any feedforward or recurrent ANN.

Despite the success of convolutional neural networks for 3D medical-image segmentation, the architectures currently used are still not robust enough to the protocols of different scanners, and the variety of image properties they produce. Moreover, access to large-scale datasets with annotated regions of interest is scarce, and obtaining good results is thus difficult. To overcome these challenges, we introduce IB-U-Nets, a novel architecture with inductive bias, inspired by the visual processing in vertebrates. With the 3D U-Net as the base, we add two 3D residual components to the second encoder blocks. They provide an inductive bias, helping U-Nets to segment anatomical structures from 3D images with increased robustness and accuracy. We compared IB-U-Nets with state-of-the-art 3D U-Nets on multiple modalities and organs, such as the prostate and spleen, using the same training and testing pipeline, including data processing, augmentation and cross-validation. Our results demonstrate the superior robustness and accuracy of IB-U-Nets, especially on small datasets, as is typically the case in medical-image analysis. IB-U-Nets source code and models are publicly available., Comment: 11 pages, 4 figures