Article
Computer Science, Software Engineering
Takanori Fujiwara, Xinhai Wei, Jian Zhao, Kwan-Liu Ma
Summary: This paper introduces an interactive dimensionality reduction framework, ULCA, which integrates discriminant analysis and contrastive learning methods to support various comparative analysis tasks. By developing an optimization algorithm and an interactive visualization interface, analysts can interactively refine ULCA results, enhancing the flexibility and interpretability of the analysis.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Laura Garrison, Juliane Mueller, Stefanie Schreiber, Steffen Oeltze-Jafra, Helwig Hauser, Stefan Bruckner
Summary: DimLift is a novel visual analysis method for creating and interacting with dimensional bundles. Dimensional bundles are expressive groups of dimensions that contribute similarly to the variance of a dataset. Through interactive exploration and reconstruction methods, users can lift interesting and subtle relationships to the surface.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Computer Science, Software Engineering
Leilani Battle, Carlos Scheidegger
Summary: In the past 30 years, a systematic review was conducted on adjacent fields, highlighting techniques and principles that are underappreciated in visualization work. By categorizing 131 research papers, it was found that five notions in data management venues suit interactive visualization systems well.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Computer Science, Software Engineering
Ghulam Jilani Quadri, Paul Rosen
Summary: This report provides a systematic review of perception-related research studies in the field of visualization, focusing on low-level tasks and breaking down techniques by visual encoding and visualization type. The report emphasizes the use of perception to evaluate the effectiveness of visualizations and helps readers apply the principles of perception in their visualization designs through a task-optimized approach.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Eren Cakmak, Udo Schlegel, Dominik Jackle, Daniel Keim, Tobias Schreck
Summary: The proposed Multiscale Snapshots approach tackles the challenge of analyzing large-scale dynamic graphs by providing a multi-scale visual analysis of temporal summaries. It recursively generates temporal summaries, utilizes graph embeddings, and visualizes data evolving from coarse to fine-granular snapshots to semi-automatically analyze temporal states, trends, and outliers. This allows for the discovery of similar temporal summaries, reduces temporal data for faster automatic analysis, and explores both structural and temporal properties of dynamic graphs.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Computer Science, Theory & Methods
Felipe L. Gewers, Gustavo R. Ferreira, Henrique F. De Arruda, Filipi N. Silva, Cesar H. Comin, Diego R. Amancio, Luciano Da F. Costa
Summary: PCA is commonly used for data analysis in various fields, and this work presents theoretical and practical aspects of PCA in an accessible manner. The basic principles, data standardization, visualizations, and outlier detection of PCA are discussed, along with its potential for dimensionality reduction. The work also summarizes PCA-related approaches and aims to assist researchers from diverse areas in utilizing and interpreting PCA effectively.
ACM COMPUTING SURVEYS
(2021)
Article
Computer Science, Software Engineering
Klaus Eckelt, Andreas Hinterreiter, Patrick Adelberger, Conny Walchshofer, Vaishali Dhanoa, Christina Humer, Moritz Heckmann, Christian Steinparz, Marc Streit
Summary: In this paper, we propose an interactive visual approach for exploring and forming structural relationships in high-dimensional data embeddings. Most existing methods ignore or do not prioritize these structural relationships. Our approach allows users to visually explore enriched scatterplots of the embedding, highlighting relationships between items and/or groups. The original high-dimensional data and differences between connected items and groups can be accessed through additional summary visualizations. We demonstrate the utility and potential impact of our approach through two use cases and multiple examples from various domains.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2023)
Article
Computer Science, Software Engineering
Conny Walchshofer, Andreas Hinterreiter, Kai Xu, Holger Stitz, Marc Streit
Summary: This article proposes a novel visual approach to the meta-analysis of interaction provenance, which helps to understand user behavior patterns and visual analysis strategies. By capturing user sessions as graph representations and using different types of two-dimensional embeddings, patterns for data types and analytical reasoning strategies can be extracted.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2023)
Article
Computer Science, Software Engineering
Yi Guo, Shunan Guo, Zhuochen Jin, Smiti Kaul, David Gotz, Nan Cao
Summary: This paper reviews the state-of-the-art visual analytics approaches for event sequence data and categorizes them based on analytical tasks and applications. The authors also identify several remaining research challenges and future research opportunities.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Artificial Intelligence
Yunlong Gao, Tingting Lin, Jinyan Pan, Feiping Nie, Youwei Xie
Summary: This paper proposes a new technique called Fuzzy Sparse Deviation Regularized Robust Principal Component Analysis (FSD-PCA) to improve the robustness of Principal Component Analysis (PCA) to noise samples. By introducing sparse deviation and fuzzy weighting, FSD-PCA is able to process noise and principal components separately, thus enhancing its ability to retain principal component information.
IEEE TRANSACTIONS ON IMAGE PROCESSING
(2022)
Article
Chemistry, Analytical
Peter D. Wentzell, Thays R. Goncalves, Makoto Matsushita, Patricia Valderrama
Summary: Kurtosis-based projection pursuit analysis (kPPA) is a useful tool for visualizing multivariate data and partitioning binary datasets effectively. The introduction of Combinatorial Projection Pursuit Analysis (CombPPA) allows researchers to explore interesting projections more fully by mapping local minima and visualizing different projections. This approach enhances the orthogonality of solutions obtained and provides insights into various combinations of projections.
ANALYTICA CHIMICA ACTA
(2021)
Article
Computer Science, Software Engineering
Izabela M. Golebiowska, Arzu Coltekin
Summary: In this empirical study, we found that sequential color schemes are more suitable for quantitative map reading tasks in choropleth and isarithmic maps compared to rainbow color schemes. However, rainbow colors can still be competitive in extracting specific values from a map.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Artificial Intelligence
Haibin Yu, Yang Cong, Gan Sun, Dongdong Hou, Yuyang Liu, Jiahua Dong
Summary: This survey provides a comprehensive analysis of open-ended online learning problems for autonomous visual perception, focusing on the ability to handle dynamically changed environments and unpredicted tasks. The open-ended online learning methods are classified into five categories based on different visual perception scenarios, and their characteristics and representative works are discussed. Additionally, several representative visual perception applications and future directions are introduced.
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS
(2023)
Article
Computer Science, Software Engineering
Jian Zhao, Mingming Fan, Mi Feng
Summary: This study proposes a system called ChartSeer that uses machine intelligence to assist analysts in monitoring the current state of exploratory visual analysis (EVA) and identifying future activities. By utilizing deep learning techniques to characterize data charts, generate visual summaries, and recommend appropriate charts, ChartSeer enables analysts to enhance their analysis and explore data variables more effectively.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Yuxin Ma, Ross Maciejewski
Summary: The article discusses the analysis of high-dimensional labeled data and proposes a visual analysis approach that utilizes the power of explainability from linear projections to explore non-linear separation structures by extracting locally linear segments approximating the original non-linear separations. Unlike traditional projection-based analysis, this approach supports the exploration of complex class separations through multiple local projection results.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Computer Science, Software Engineering
Kelei Cao, Mengchen Liu, Hang Su, Jing Wu, Jun Zhu, Shixia Liu
Summary: This research investigates how adversarial examples can mislead deep neural networks and proposes a visual analysis method to explain misclassification of adversarial examples. By comparing and analyzing the datapaths of adversarial and normal examples, a multi-level visualization approach is designed to showcase the potential of the method in explaining misclassification of adversarial examples.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Chemistry, Multidisciplinary
Xunshan Liu, Adam Matej, Tim Kratky, Jesus Mendieta-Moreno, Sebastian Guenther, Pingo Mutombo, Silvio Decurtins, Ulrich Aschauer, Jascha Repp, Pavel Jelinek, Shi-Xia Liu, Laerte L. Patera
Summary: In this study, selective C-H activation of hexaazatriphenylene by Scholl reaction was reported for the first time, achieving dehydrogenative C-C couplings. The formation of one-dimensional polymers with a double-chain structure was revealed using low-temperature scanning tunneling microscopy and atomic force microscopy. Density functional theory calculations rationalized the growth process, highlighting the cooperative catalytic action of Na and Ag adatoms in steering the C-H selectivity for polymerization.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Computer Science, Software Engineering
Johannes Knittel, Steffen Koch, Tan Tang, Wei Chen, Yingcai Wu, Shixia Liu, Thomas Ertl
Summary: This study presents an interactive system for real-time visualization and analysis of social media data on a large scale. They propose an efficient and explainable dynamic clustering algorithm that powers a continuously updated visualization of the current thematic landscape. Their system works with non-geolocated posts and avoids extensive preprocessing.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Changjian Chen, Jing Wu, Xiaohan Wang, Shouxing Xiang, Song-Hai Zhang, Qifeng Tang, Shixia Liu
Summary: Training high-performance object detectors often require expensive bounding box annotations, but recent methods have started using free-available image captions instead. However, detectors trained on caption supervision tend to perform poorly due to noisy captions that do not provide precise location information. To address this issue, a visual analysis method is presented that integrates caption supervision with object detection to mutually enhance each other.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Chemistry, Medicinal
Qionglin Chen, Xinlei Yu, Shixia Liu, Suya Luo, Xiaojiao Chen, Nianjun Xu, Xue Sun
Summary: This study identified the essential role of phosphoglucomutase (PGM) in regulating the carbon flux between agar and other carbohydrates in Gracilariopsis lemaneiformis. The study also confirmed the presence of PGM genes and validated the subcellular localization of PGM proteins. It revealed the significant correlation between PGM activity and agar accumulation.
Article
Chemistry, Multidisciplinary
Philipp D'Astolfo, Xing Wang, Xunshan Liu, Marcin Kisiel, Carl Drechsel, Alexis Baratoff, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Remy Pawlak, Ernst Meyer
Summary: Crystalline nanoporous molecular networks are assembled on the Ag(111) surface, with pores that confine electrons from the metal's surface state. The shifting of an antibonding level and a downshifted bonding state on molecular sites are observed, depending on pore sizes and coupling. Low-temperature force spectroscopy reveals energy dissipation peaks and jumps of frequency shifts at bias voltages, related to the confined states. These observations indicate the formation of two-dimensional arrays of coupled quantum dots, characterized by their quantum capacitances and resonant tunneling rates. Our work provides a method for studying the capacitive and dissipative response of quantum materials with nanomechanical oscillators.
Review
Chemistry, Multidisciplinary
Shi-Xia Liu, Ali K. Ismael, Alaa Al-Jobory, Colin J. Lambert
Summary: This article introduces the conduction of electrons through single molecules, and reveals the important role of quantum interference in the conductivity properties. It shows that conductivity can be controlled by adjusting the connectivity of electrodes and adding heteroatoms to the molecules. These effects can be observed even at room temperature, and can be described by simple quantum circuit rules and an intuitive "magic ratio" theory.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Multidisciplinary Sciences
Krisztina Regos, Remy Pawlak, Xing Wang, Ernst Meyer, Silvio Decurtins, Gabor Domokos, Kostya S. Novoselov, Shi-Xia Liu, Ulrich Aschauer
Summary: Molecular self-assembly plays a crucial role in technology and biological systems. Predicting pattern formation in 2D molecular networks is challenging, but this study introduces a simplified hierarchical geometric model based on graph theory to predict extended network patterns. The model provides pattern classification and prediction within specific ranges, offering a different perspective on self-assembled molecular patterns and potential applications.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Multidisciplinary
Mariana Darii, Jan van Leusen, Victor Ch. Kravtsov, Yurii Chumakov, Karl Kramer, Silvio Decurtins, Shi-Xia Liu, Paul Kogerler, Svetlana G. Baca
Summary: Ultrasound-assisted synthesis was used to prepare a new nonanuclear SMM, [Mn7Dy2O6(OH)(OMe)(2)(piv)(8)(dea)(2)(MeOH)(2)(H2O)(2)](NO3)& BULL;H2O, with a {Mn-6 (MnDy2)-Mn-III-Dy-IV (III)}(28+) core based on vertex-sharing double-cubane units.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Biochemistry & Molecular Biology
Ping Zhou, Ulrich Aschauer, Silvio Decurtins, Thomas Feurer, Robert Haner, Shi-Xia Liu
Summary: Polycyclic aromatic hydrocarbons (PAHs) are promising materials for organic electronics, and non-hexagonal ring-fused PAHs are particularly desirable for their unique optoelectronic properties. In this study, a new redox-active azulene-perylene diimide triad 1 and its ring-fused counterpart diazulenocoronene diimide 2 were synthesized and characterized. A significant change in the localization of HOMO and LUMO was observed upon the fusion of azulene and perylene diimide in compound 2, resulting in a lack of intramolecular charge-transfer character. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations provided further insight into the electronic transitions. The adaptive response to acids and bases manifested as a reversible two-color change attributed to changes in the chemical structures. These findings open up possibilities for manipulating the energy levels of organic chromophores, leading to potential applications in organic electronics and optical sensors.
Article
Multidisciplinary Sciences
Chao Li, Christoph Kaspar, Ping Zhou, Jung-Ching Liu, Outhmane Chahib, Thilo Glatzel, Robert Haener, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Michael Thoss, Ernst Meyer, Remy Pawlak
Summary: Electron-vibration coupling plays a critical role in the development of molecular electronics, spintronics, and quantum technologies. This study demonstrates the direct control of vibronic excitations in TBTAP molecules on the surface of Ag(111).
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Fabio Montisci, Arianna Lanza, Martin Fisch, Camille Sonneville, Yan Geng, Christian Reber, Silvio Decurtins, Shi-Xia Liu, Piero Macchi
Summary: This study focuses on the effect of compression and cooling on the stereolectronic properties of TTF-BTD molecule and predicts the formation of a new phase under high pressure.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Ping Zhou, Maryam Nazari Haghighi Pashaki, Hans-Martin Frey, Andreas Hauser, Silvio Decurtins, Andrea Cannizzo, Thomas Feurer, Robert Haener, Ulrich Aschauer, Shi-Xia Liu
Summary: This study demonstrates that long-lived charge-separated (CS) state can be achieved in fused donor-acceptor ensembles through symmetric annulation. Asymmetric charge trapping significantly stabilizes the CS state and leads to a longer lifetime compared to asymmetric systems.
Article
Chemistry, Multidisciplinary
Mariana Darii, Ecaterina S. Beleaev, Victor Ch. Kravtsov, Paulina Bourosh, Yurii Chumakov, Jurg Hauser, Silvio Decurtins, Shi-Xia Liu, Olga Sultanova, Svetlana G. Baca
Summary: A series of multicomponent compounds containing [Co(NH3)(6)](3+) cations and various organic donors have been synthesized and crystallized. The [Co(NH3)(6)](3+) cation serves as a building block for the formation of multi-component compounds with extended charge-supported networks and various interactions. Compound 1, consisting of hexaammine cobalt(III) chloride and 1,10-phenanthroline, showed the highest inhibitory potential against bacterial cancer in plants.
NEW JOURNAL OF CHEMISTRY
(2022)