An important aspect in the development of small molecules as drugs or agro-chemicals is their systemic availability after intravenous and oral administration. The prediction of the systemic availability from the chemical structure of a potential candidate is highly desirable, as it allows to focus the drug or agrochemical development on compounds with a favorable kinetic profile. However, such pre-dictions are challenging as the availability is the result of the complex interplay between molecular properties, biology and physiology and training data is rare. In this work we improve the hybrid model developed earlier [1]. We reduce the median fold change error for the total oral exposure from 2.85 to 2.35 and for intravenous administration from 1.95 to 1.62. This is achieved by training on a larger data set, improving the neural network architecture as well as the parametrization of mechanistic model. Further, we extend our approach to predict additional endpoints and to handle different covariates, like sex and dosage form. In contrast to a pure machine learning model, our model is able to predict new end points on which it has not been trained. We demonstrate this feature by predicting the exposure over the first 24h, while the model has only been trained on the total exposure.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Fingerprint recognition stands as a pivotal component of biometric technology, with diverse applications from identity verification to advanced search tools. In this paper, we propose a unique method for deriving robust fingerprint representations by leveraging enhancement-based pre-training. Building on the achievements of U-Net-based fingerprint enhancement, our method employs a specialized encoder to derive representations from fingerprint images in a self-supervised manner. We further refine these representations, aiming to enhance the verification capabilities. Our experimental results, tested on publicly available fingerprint datasets, reveal a marked improvement in verification performance against established self-supervised training techniques. Our findings not only highlight the effectiveness of our method but also pave the way for potential advancements. Crucially, our research indicates that it is feasible to extract meaningful fingerprint representations from degraded images without relying on enhanced samples.
The use of hyperspectral imaging for medical applications is becoming more common in recent years. One of the main obstacles that researchers find when developing hyperspectral algorithms for medical applications is the lack of specific, publicly available, and hyperspectral medical data. The work described in this paper was developed within the framework of the European project HELICoiD (HypErspectraL Imaging Cancer Detection), which had as a main goal the application of hyperspectral imaging to the delineation of brain tumors in real-time during neurosurgical operations. In this paper, the methodology followed to generate the first hyperspectral database of in-vivo human brain tissues is presented. Data was acquired employing a customized hyperspectral acquisition system capable of capturing information in the Visual and Near InfraRed (VNIR) range from 400 to 1000 nm. Repeatability was assessed for the cases where two images of the same scene were captured consecutively. The analysis reveals that the system works more efficiently in the spectral range between 450 and 900 nm. A total of 36 hyperspectral images from 22 different patients were obtained. From these data, more than 300 000 spectral signatures were labeled employing a semi-automatic methodology based on the spectral angle mapper algorithm. Four different classes were defined: normal tissue, tumor tissue, blood vessel, and background elements. All the hyperspectral data has been made available in a public repository.
It is typically challenging for visual or visual-inertial odometry systems to handle the problems of dynamic scenes and pure rotation. In this work, we design a novel visual-inertial odometry (VIO) system called RD-VIO to handle both of these two problems. Firstly, we propose an IMU-PARSAC algorithm which can robustly detect and match keypoints in a two-stage process. In the first state, landmarks are matched with new keypoints using visual and IMU measurements. We collect statistical information from the matching and then guide the intra-keypoint matching in the second stage. Secondly, to handle the problem of pure rotation, we detect the motion type and adapt the deferred-triangulation technique during the data-association process. We make the pure-rotational frames into the special subframes. When solving the visual-inertial bundle adjustment, they provide additional constraints to the pure-rotational motion. We evaluate the proposed VIO system on public datasets and online comparison. Experiments show the proposed RD-VIO has obvious advantages over other methods in dynamic environments. The source code is available at: \href{//github.com/openxrlab/xrslam}{{\fontfamily{pcr}\selectfont //github.com/openxrlab/xrslam}}.
While myoelectric control has recently become a focus of increased research as a possible flexible hands-free input modality, current control approaches are prone to inadvertent false activations in real-world conditions. In this work, a novel myoelectric control paradigm -- on-demand myoelectric control -- is proposed, designed, and evaluated, to reduce the number of unrelated muscle movements that are incorrectly interpreted as input gestures . By leveraging the concept of wake gestures, users were able to switch between a dedicated control mode and a sleep mode, effectively eliminating inadvertent activations during activities of daily living (ADLs). The feasibility of wake gestures was demonstrated in this work through two online ubiquitous EMG control tasks with varying difficulty levels; dismissing an alarm and controlling a robot. The proposed control scheme was able to appropriately ignore almost all non-targeted muscular inputs during ADLs (>99.9%) while maintaining sufficient sensitivity for reliable mode switching during intentional wake gesture elicitation. These results highlight the potential of wake gestures as a critical step towards enabling ubiquitous myoelectric control-based on-demand input for a wide range of applications.
In research of manufacturing systems and autonomous robots, the term capability is used for a machine-interpretable specification of a system function. Approaches in this research area develop information models that capture all information relevant to interpret the requirements, effects and behavior of functions. These approaches are intended to overcome the heterogeneity resulting from the various types of processes and from the large number of different vendors. However, these models and associated methods do not offer solutions for automated process planning, i.e. finding a sequence of individual capabilities required to manufacture a certain product or to accomplish a mission using autonomous robots. Instead, this is a typical task for AI planning approaches, which unfortunately require a high effort to create the respective planning problem descriptions. In this paper, we present an approach that combines these two topics: Starting from a semantic capability model, an AI planning problem is automatically generated. The planning problem is encoded using Satisfiability Modulo Theories and uses an existing solver to find valid capability sequences including required parameter values. The approach also offers possibilities to integrate existing human expertise and to provide explanations for human operators in order to help understand planning decisions.
As 6G emerges, cellular systems are envisioned to integrate sensing with communication capabilities, leading to multi-faceted communication and sensing (JCAS). This paper presents a comprehensive cross-layer overview of the Hexa-X-II project's endeavors in JCAS, aligning 6G use cases with service requirements and pinpointing distinct scenarios that bridge communication and sensing. This work relates to these scenarios through the lens of the cross-layer physical and networking domains, covering models, deployments, resource allocation, storage challenges, computational constraints, interfaces, and innovative functions.
Given the significance of speech emotion recognition, numerous methods have been developed in recent years to create effective and efficient systems in this domain. One of these methods involves the use of pretrained transformers, fine-tuned to address this specific problem, resulting in high accuracy. Despite extensive discussions and global-scale efforts to enhance these systems, the application of this innovative and effective approach has received less attention in the context of Persian speech emotion recognition. In this article, we review the field of speech emotion recognition and its background, with an emphasis on the importance of employing transformers in this context. We present two models, one based on spectrograms and the other on the audio itself, fine-tuned using the shEMO dataset. These models significantly enhance the accuracy of previous systems, increasing it from approximately 65% to 80% on the mentioned dataset. Subsequently, to investigate the effect of multilinguality on the fine-tuning process, these same models are fine-tuned twice. First, they are fine-tuned using the English IEMOCAP dataset, and then they are fine-tuned with the Persian shEMO dataset. This results in an improved accuracy of 82% for the Persian emotion recognition system. Keywords: Persian Speech Emotion Recognition, shEMO, Self-Supervised Learning
Face recognition technology has advanced significantly in recent years due largely to the availability of large and increasingly complex training datasets for use in deep learning models. These datasets, however, typically comprise images scraped from news sites or social media platforms and, therefore, have limited utility in more advanced security, forensics, and military applications. These applications require lower resolution, longer ranges, and elevated viewpoints. To meet these critical needs, we collected and curated the first and second subsets of a large multi-modal biometric dataset designed for use in the research and development (R&D) of biometric recognition technologies under extremely challenging conditions. Thus far, the dataset includes more than 350,000 still images and over 1,300 hours of video footage of approximately 1,000 subjects. To collect this data, we used Nikon DSLR cameras, a variety of commercial surveillance cameras, specialized long-rage R&D cameras, and Group 1 and Group 2 UAV platforms. The goal is to support the development of algorithms capable of accurately recognizing people at ranges up to 1,000 m and from high angles of elevation. These advances will include improvements to the state of the art in face recognition and will support new research in the area of whole-body recognition using methods based on gait and anthropometry. This paper describes methods used to collect and curate the dataset, and the dataset's characteristics at the current stage.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.
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