Machine-learning models are increasingly used to predict properties of atoms in chemical systems. There have been major advances in developing descriptors and regression frameworks for this task, typically starting from (relatively) small sets of quantum-mechanical reference data. Larger datasets of this kind are becoming available, but remain expensive to generate. Here we demonstrate the use of a large dataset that we have "synthetically" labelled with per-atom energies from an existing ML potential model. The cheapness of this process, compared to the quantum-mechanical ground truth, allows us to generate millions of datapoints, in turn enabling rapid experimentation with atomistic ML models from the small- to the large-data regime. This approach allows us here to compare regression frameworks in depth, and to explore visualisation based on learned representations. We also show that learning synthetic data labels can be a useful pre-training task for subsequent fine-tuning on small datasets. In the future, we expect that our open-sourced dataset, and similar ones, will be useful in rapidly exploring deep-learning models in the limit of abundant chemical data.

具有最小延迟的人工神经网络的决策对于诸如导航，跟踪和实时机器动作系统之类的许多应用来说是至关重要的。这要求机器学习硬件以高吞吐量处理多维数据。不幸的是，处理卷积操作是数据分类任务的主要计算工具，遵循有挑战性的运行时间复杂性缩放法。然而，在傅立叶光学显示器 - 光处理器中同心地实现卷积定理，使得不迭代的O（1）运行时复杂度以超过1,000×1,000大矩阵的数据输入。在此方法之后，这里我们展示了具有傅里叶卷积神经网络（FCNN）加速器的数据流多核图像批处理。我们将大规模矩阵的图像批量处理显示为傅立叶域中的数字光处理模块执行的被动的2000万点产品乘法。另外，我们通过利用多种时空衍射令并进一步并行化该光学FCNN系统，从而实现了最先进的FCNN加速器的98倍的产量改进。综合讨论与系统能力边缘工作相关的实际挑战突出了傅立叶域和决议缩放法律的串扰问题。通过利用展示技术中的大规模平行性加速卷积带来了基于VAN Neuman的机器学习加速度。

While the brain connectivity network can inform the understanding and diagnosis of developmental dyslexia, its cause-effect relationships have not yet enough been examined. Employing electroencephalography signals and band-limited white noise stimulus at 4.8 Hz (prosodic-syllabic frequency), we measure the phase Granger causalities among channels to identify differences between dyslexic learners and controls, thereby proposing a method to calculate directional connectivity. As causal relationships run in both directions, we explore three scenarios, namely channels' activity as sources, as sinks, and in total. Our proposed method can be used for both classification and exploratory analysis. In all scenarios, we find confirmation of the established right-lateralized Theta sampling network anomaly, in line with the temporal sampling framework's assumption of oscillatory differences in the Theta and Gamma bands. Further, we show that this anomaly primarily occurs in the causal relationships of channels acting as sinks, where it is significantly more pronounced than when only total activity is observed. In the sink scenario, our classifier obtains 0.84 and 0.88 accuracy and 0.87 and 0.93 AUC for the Theta and Gamma bands, respectively.

There are multiple scales of abstraction from which we can describe the same image, depending on whether we are focusing on fine-grained details or a more global attribute of the image. In brain mapping, learning to automatically parse images to build representations of both small-scale features (e.g., the presence of cells or blood vessels) and global properties of an image (e.g., which brain region the image comes from) is a crucial and open challenge. However, most existing datasets and benchmarks for neuroanatomy consider only a single downstream task at a time. To bridge this gap, we introduce a new dataset, annotations, and multiple downstream tasks that provide diverse ways to readout information about brain structure and architecture from the same image. Our multi-task neuroimaging benchmark (MTNeuro) is built on volumetric, micrometer-resolution X-ray microtomography images spanning a large thalamocortical section of mouse brain, encompassing multiple cortical and subcortical regions. We generated a number of different prediction challenges and evaluated several supervised and self-supervised models for brain-region prediction and pixel-level semantic segmentation of microstructures. Our experiments not only highlight the rich heterogeneity of this dataset, but also provide insights into how self-supervised approaches can be used to learn representations that capture multiple attributes of a single image and perform well on a variety of downstream tasks. Datasets, code, and pre-trained baseline models are provided at: https://mtneuro.github.io/ .

The ability to convert reciprocating, i.e., alternating, actuation into rotary motion using linkages is hindered fundamentally by their poor torque transmission capability around kinematic singularity configurations. Here, we harness the elastic potential energy of a linear spring attached to the coupler link of four-bar mechanisms to manipulate force transmission around the kinematic singularities. We developed a theoretical model to explore the parameter space for proper force transmission in slider-crank and rocker-crank four-bar kinematics. Finally, we verified the proposed model and methodology by building and testing a macro-scale prototype of a slider-crank mechanism. We expect this approach to enable the development of small-scale rotary engines and robotic devices with closed kinematic chains dealing with serial kinematic singularities, such as linkages and parallel manipulators.

This paper considers a combination of actuation tendons and measurement strings to achieve accurate shape sensing and direct kinematics of continuum robots. Assuming general string routing, a methodical Lie group formulation for the shape sensing of these robots is presented. The shape kinematics is expressed using arc-length-dependent curvature distributions parameterized by modal functions, and the Magnus expansion for Lie group integration is used to express the shape as a product of exponentials. The tendon and string length kinematic constraints are solved for the modal coefficients and the configuration space and body Jacobian are derived. The noise amplification index for the shape reconstruction problem is defined and used for optimizing the string/tendon routing paths, and a planar simulation study shows the minimal number of strings/tendons needed for accurate shape reconstruction. A torsionally stiff continuum segment is used for experimental evaluation, demonstrating mean (maximal) end-effector absolute position error of less than 2% (5%) of total length. Finally, a simulation study of a torsionally compliant segment demonstrates the approach for general deflections and string routings. We believe that the methods of this paper can benefit the design process, sensing and control of continuum and soft robots.

Image classification with small datasets has been an active research area in the recent past. However, as research in this scope is still in its infancy, two key ingredients are missing for ensuring reliable and truthful progress: a systematic and extensive overview of the state of the art, and a common benchmark to allow for objective comparisons between published methods. This article addresses both issues. First, we systematically organize and connect past studies to consolidate a community that is currently fragmented and scattered. Second, we propose a common benchmark that allows for an objective comparison of approaches. It consists of five datasets spanning various domains (e.g., natural images, medical imagery, satellite data) and data types (RGB, grayscale, multispectral). We use this benchmark to re-evaluate the standard cross-entropy baseline and ten existing methods published between 2017 and 2021 at renowned venues. Surprisingly, we find that thorough hyper-parameter tuning on held-out validation data results in a highly competitive baseline and highlights a stunted growth of performance over the years. Indeed, only a single specialized method dating back to 2019 clearly wins our benchmark and outperforms the baseline classifier.

A major goal of multimodal research is to improve machine understanding of images and text. Tasks include image captioning, text-to-image generation, and vision-language representation learning. So far, research has focused on the relationships between images and text. For example, captioning models attempt to understand the semantics of images which are then transformed into text. An important question is: which annotation reflects best a deep understanding of image content? Similarly, given a text, what is the best image that can present the semantics of the text? In this work, we argue that the best text or caption for a given image is the text which would generate the image which is the most similar to that image. Likewise, the best image for a given text is the image that results in the caption which is best aligned with the original text. To this end, we propose a unified framework that includes both a text-to-image generative model and an image-to-text generative model. Extensive experiments validate our approach.

The availability of frequent and cost-free satellite images is in growing demand in the research world. Such satellite constellations as Landsat 8 and Sentinel-2 provide a massive amount of valuable data daily. However, the discrepancy in the sensors' characteristics of these satellites makes it senseless to use a segmentation model trained on either dataset and applied to another, which is why domain adaptation techniques have recently become an active research area in remote sensing. In this paper, an experiment of domain adaptation through style-transferring is conducted using the HRSemI2I model to narrow the sensor discrepancy between Landsat 8 and Sentinel-2. This paper's main contribution is analyzing the expediency of that approach by comparing the results of segmentation using domain-adapted images with those without adaptation. The HRSemI2I model, adjusted to work with 6-band imagery, shows significant intersection-over-union performance improvement for both mean and per class metrics. A second contribution is providing different schemes of generalization between two label schemes - NALCMS 2015 and CORINE. The first scheme is standardization through higher-level land cover classes, and the second is through harmonization validation in the field.

In this paper, we address the problem of multimodal emotion recognition from multiple physiological signals. We demonstrate that a Transformer-based approach is suitable for this task. In addition, we present how such models may be pretrained in a multimodal scenario to improve emotion recognition performances. We evaluate the benefits of using multimodal inputs and pre-training with our approach on a state-ofthe-art dataset.