136,597 results on '"Kern, A."'
Search Results
2. Single-molecule phosphorescence and intersystem crossing in a coupled exciton-plasmon system
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Grewal, Abhishek, Imada, Hiroshi, Miwa, Kuniyuki, Imai-Imada, Miyabi, Kimura, Kensuke, Jaculbia, Rafael, Kuhnke, Klaus, Kern, Klaus, and Kim, Yousoo
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Condensed Matter - Mesoscale and Nanoscale Physics - Abstract
Scanning the sharp metal tip of a scanning tunneling microscope (STM) over a molecule allows tuning the coupling between the tip plasmon and a molecular fluorescence emitter. This allows access to local variations of fluorescence field enhancement and wavelength shifts, which are central parameters for characterizing the plasmon-exciton coupling. Performing the same for phosphorescence with molecular scale resolution remains a significant challenge. In this study, we present the first investigation of phosphorescence from isolated Pt-Phthalocyanine molecules by analyzing tip-enhanced emission spectra in both current-induced and laser-induced phosphorescence. The latter directly monitors singlet-to-triplet state intersystem crossing of a molecule below the tip. The study paves the way to a detailed understanding of triplet excitation pathways and their potential control at sub-molecular length scales. Additionally, the coupling of organic phosphors to plasmonic structures is a promising route for the improving light-emitting diodes., Comment: 39 pages, 12 figures
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- 2025
3. The Value of Prediction in Identifying the Worst-Off
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Fischer-Abaigar, Unai, Kern, Christoph, and Perdomo, Juan Carlos
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Computer Science - Computers and Society ,Computer Science - Machine Learning ,Statistics - Machine Learning - Abstract
Machine learning is increasingly used in government programs to identify and support the most vulnerable individuals, prioritizing assistance for those at greatest risk over optimizing aggregate outcomes. This paper examines the welfare impacts of prediction in equity-driven contexts, and how they compare to other policy levers, such as expanding bureaucratic capacity. Through mathematical models and a real-world case study on long-term unemployment amongst German residents, we develop a comprehensive understanding of the relative effectiveness of prediction in surfacing the worst-off. Our findings provide clear analytical frameworks and practical, data-driven tools that empower policymakers to make principled decisions when designing these systems.
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- 2025
4. Streamlining Plug-and-Charge Authorization for Electric Vehicles with OAuth2 and OIDC
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Primbs, Jonas, Kern, Dustin, Menth, Michael, and Krauß, Christoph
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Computer Science - Cryptography and Security - Abstract
The Plug-and-Charge (PnC) process defined by ISO 15118 standardizes automated Electric Vehicle (EV) charging by enabling automatic installation of credentials and use for authentication between EV and Charge Point (CP). However, the current credential installation process is non-uniform, relies on a complex Public Key Infrastructure (PKI), lacks support for fine-grained authorization parameters, and is not very user-friendly. In this paper, we propose a streamlined approach to the initial charging authorization process by leveraging the OAuth Device Authorization Grant and Rich Authorization Requests. The proposed solution reduces technical complexity, simplifies credential installation, introduces flexible authorization constraints (e.g., time- and cost-based), and facilitates payment through OpenID Connect (OIDC). We present a proof-of-concept implementation along with performance evaluations and conduct a symbolic protocol verification using the Tamarin prover. Furthermore, our approach solves the issue of OAuth's cross-device authorization, making it suitable as a formally proven blueprint in contexts beyond EV charging.
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- 2025
5. Anomalous Dynamics of a Liquid Corner Film
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Moura, Marcel, Kern, Vanessa, Måløy, Knut Jørgen, Carlson, Andreas, and Flekkøy, Eirik G.
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Physics - Fluid Dynamics - Abstract
Measuring the rheology of liquids typically requires precise control over shear rates and stresses. However, we demonstrate that the features of a power-law fluid can be predicted by simply observing the capillary spreading dynamics of viscous droplets within a wedge-shaped geometry. By considering the influence of capillary and viscous forces within this geometry, we show that the spreading dynamics can be described by a nonlinear diffusion equation. Analytical predictions indicate subdiffusive behavior, establishing a direct relationship between the diffusion exponent and the rheological exponent, which is also corroborated by experimental results. Since this relationship is independent of flow details, it provides robust predictions for the rheological properties of power-law fluids.
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- 2025
6. Towards Improving IDS Using CTF Events
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Kern, Manuel, Skopik, Florian, Landauer, Max, and Weippl, Edgar
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Computer Science - Cryptography and Security - Abstract
In cybersecurity, Intrusion Detection Systems (IDS) serve as a vital defensive layer against adversarial threats. Accurate benchmarking is critical to evaluate and improve IDS effectiveness, yet traditional methodologies face limitations due to their reliance on previously known attack signatures and lack of creativity of automated tests. This paper introduces a novel approach to evaluating IDS through Capture the Flag (CTF) events, specifically designed to uncover weaknesses within IDS. CTFs, known for engaging a diverse community in tackling complex security challenges, offer a dynamic platform for this purpose. Our research investigates the effectiveness of using tailored CTF challenges to identify weaknesses in IDS by integrating them into live CTF competitions. This approach leverages the creativity and technical skills of the CTF community, enhancing both the benchmarking process and the participants' practical security skills. We present a methodology that supports the development of IDS-specific challenges, a scoring system that fosters learning and engagement, and the insights of running such a challenge in a real Jeopardy-style CTF event. Our findings highlight the potential of CTFs as a tool for IDS evaluation, demonstrating the ability to effectively expose vulnerabilities while also providing insights into necessary improvements for future implementations.
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- 2025
7. Correcting Annotator Bias in Training Data: Population-Aligned Instance Replication (PAIR)
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Eckman, Stephanie, Ma, Bolei, Kern, Christoph, Chew, Rob, Plank, Barbara, and Kreuter, Frauke
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Statistics - Methodology ,Computer Science - Computation and Language - Abstract
Models trained on crowdsourced labels may not reflect broader population views when annotator pools are not representative. Since collecting representative labels is challenging, we propose Population-Aligned Instance Replication (PAIR), a method to address this bias through statistical adjustment. Using a simulation study of hate speech and offensive language detection, we create two types of annotators with different labeling tendencies and generate datasets with varying proportions of the types. Models trained on unbalanced annotator pools show poor calibration compared to those trained on representative data. However, PAIR, which duplicates labels from underrepresented annotator groups to match population proportions, significantly reduces bias without requiring new data collection. These results suggest statistical techniques from survey research can help align model training with target populations even when representative annotator pools are unavailable. We conclude with three practical recommendations for improving training data quality.
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- 2025
8. Calorimetric Wire Detector for Measurement of Atomic Hydrogen Beams
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Astaschov, M., Bhagvati, S., Böser, S., Brandsema, M. J., Cabral, R., Claessens, C., de Viveiros, L., Enomoto, S., Fenner, D., Fertl, M., Formaggio, J. A., Foust, B. T., Gaison, J. K., Harmston, P., Heeger, K. M., Hüneborn, M. B., Huyan, X., Jones, A. M., Jones, B. J. P., Karim, E., Kazkaz, K., Kern, P., Li, M., Lindman, A., Liu, C. -Y., Marsteller, A., Matthé, C., Mohiuddin, R., Monreal, B., Mucogllava, B., Mueller, R., Negi, A., Nikkel, J. A., Oblath, N. S., Oueslati, M., Peña, J. I., Pettus, W., Reimann, R., Reine, A. L., Robertson, R. G. H., De Jesús, D. Rosa, Saldaña, L., Slocum, P. L., Spanier, F., Stachurska, J., Sun, Y. -H., Surukuchi, P. T., Telles, A. B., Thomas, F., Thorne, L. A., Thümmler, T., Van De Pontseele, W., VanDevender, B. A., Weiss, T. E., Wynne, M., and Ziegler, A.
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Physics - Instrumentation and Detectors - Abstract
A calorimetric detector for minimally disruptive measurements of atomic hydrogen beams is described. The calorimeter measures heat released by the recombination of hydrogen atoms into molecules on a thin wire. As a demonstration, the angular distribution of a beam with a peak intensity of $\approx 10^{16} \,{\rm{atoms}}/{(\rm{cm}^2 \rm{s})}$ is measured by translating the wire across the beam. The data agree well with an analytic model of the beam from the thermal hydrogen atom source. Using the beam shape model, the relative intensity of the beam can be determined to 5% precision or better at any angle.
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- 2025
9. Genuine quantum non-Gaussianity and metrological sensitivity of Fock states prepared in a mechanical resonator
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Rahman, Q. Rumman, Kladarić, Igor, Kern, Max-Emanuel, Chu, Yiwen, Filip, Radim, and Fadel, Matteo
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Quantum Physics - Abstract
Fock states of the quantum harmonic oscillator are fundamental to quantum sensing and information processing, serving as key resources for exploiting bosonic degrees of freedom. Here, we prepare high Fock states in a high-overtone bulk acoustic wave resonator (HBAR) by coupling it to a superconducting qubit and applying microwave pulses designed using quantum optimal control. We characterize the experimentally realized states by employing a criterion for genuine quantum non-Gaussianity (QNG) designed to reveal multiphonon contributions. Although energy relaxation and decoherence limit the achievable fidelities, we demonstrate genuine QNG features compatible with Fock state $\vert 6\rangle$, confirming that the prepared states cannot be generated through Gaussian operations on states with up to Fock state $\vert 5\rangle$ contributions. We further investigate the robustness of these QNG features to losses and their utility in sensing displacement amplitudes. In particular, we introduce a hierarchy based on the quantum Fisher information and show that, despite decoherence and measurement imperfections, the prepared states achieve a displacement sensitivity surpassing that of an ideal Fock state $\vert 3\rangle$. Our results have immediate applications in quantum sensing and simulations with HBAR devices.
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- 2024
10. PsychAdapter: Adapting LLM Transformers to Reflect Traits, Personality and Mental Health
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Vu, Huy, Nguyen, Huy Anh, Ganesan, Adithya V, Juhng, Swanie, Kjell, Oscar N. E., Sedoc, Joao, Kern, Margaret L., Boyd, Ryan L., Ungar, Lyle, Schwartz, H. Andrew, and Eichstaedt, Johannes C.
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Computer Science - Artificial Intelligence ,Computer Science - Computation and Language - Abstract
Artificial intelligence-based language generators are now a part of most people's lives. However, by default, they tend to generate "average" language without reflecting the ways in which people differ. Here, we propose a lightweight modification to the standard language model transformer architecture - "PsychAdapter" - that uses empirically derived trait-language patterns to generate natural language for specified personality, demographic, and mental health characteristics (with or without prompting). We applied PsychAdapters to modify OpenAI's GPT-2, Google's Gemma, and Meta's Llama 3 and found generated text to reflect the desired traits. For example, expert raters evaluated PsychAdapter's generated text output and found it matched intended trait levels with 87.3% average accuracy for Big Five personalities, and 96.7% for depression and life satisfaction. PsychAdapter is a novel method to introduce psychological behavior patterns into language models at the foundation level, independent of prompting, by influencing every transformer layer. This approach can create chatbots with specific personality profiles, clinical training tools that mirror language associated with psychological conditionals, and machine translations that match an authors reading or education level without taking up LLM context windows. PsychAdapter also allows for the exploration psychological constructs through natural language expression, extending the natural language processing toolkit to study human psychology.
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- 2024
11. Analysis of the multi-dimensional semi-discrete Active Flux method using the Fourier transform
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Barsukow, Wasilij, Kern, Janina, Klingenberg, Christian, and Lechner, Lisa
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Mathematics - Numerical Analysis ,65M20, 65M70, 65M08, 35E15 - Abstract
The degrees of freedom of Active Flux are cell averages and point values along the cell boundaries. These latter are shared between neighbouring cells, which gives rise to a globally continuous reconstruction. The semi-discrete Active Flux method uses its degrees of freedom to obtain Finite Difference approximations to the spatial derivatives which are used in the point value update. The averages are updated using a quadrature of the flux and making use of the point values as quadrature points. The integration in time employs standard Runge-Kutta methods. We show that this generalization of the Active Flux method in two and three spatial dimensions is stationarity preserving for linear acoustics on Cartesian grids, and present an analysis of numerical diffusion and stability.
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- 2024
12. Four Guiding Principles for Modeling Causal Domain Knowledge: A Case Study on Brainstorming Approaches for Urban Blight Analysis
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Razouk, Houssam, Leitner, Michael, and Kern, Roman
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Computer Science - Computational Engineering, Finance, and Science ,Computer Science - Computation and Language - Abstract
Urban blight is a problem of high interest for planning and policy making. Researchers frequently propose theories about the relationships between urban blight indicators, focusing on relationships reflecting causality. In this paper, we improve on the integration of domain knowledge in the analysis of urban blight by introducing four rules for effective modeling of causal domain knowledge. The findings of this study reveal significant deviation from causal modeling guidelines by investigating cognitive maps developed for urban blight analysis. These findings provide valuable insights that will inform future work on urban blight, ultimately enhancing our understanding of urban blight complex interactions., Comment: 16 pages, 4 figures, 2 tables
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- 2024
13. Race and Gender Representation in College and Career Readiness Research for Students with Emotional Behavioral Disorders
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Jennifer Freeman, Devon Carter, Lee Kern, Chris Liang, Sarah Rosati, Sarah Sinnott, and Vivian Mui
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The purpose of this review was to investigate the extent to which students with emotional and behavioral disorders (EBD) are adequately represented in and benefiting from college and career readiness (CCR) intervention research across race and gender groups. We conducted a secondary analysis of 14 intervention studies meeting the criteria for a prior systematic literature review examining CCR for U.S. students with and at risk for emotional and behavioral problems. We found that the majority (86%) of studies reported the race and gender of participants and more recent studies were more likely to have included this information. Students with EBD are more likely to be Black and identify as male, while the participants in our study samples were more likely to be White/Caucasian and identify as female. All studies reported gender exclusively within a gender binary. Furthermore, only three studies provided overall school or district demographics, allowing the reader to assess the extent to which the participants were representative of the school/district population. Finally, only two studies parceled out findings by race, making it difficult to assess the overall extent to which interventions for CCR are effective for students across race and gender groups. Given the high priority currently placed on preparing all students for college and career, these findings have important implications for practitioners, researchers, and policymakers.
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- 2025
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14. A Description of Suspected Concussions in Football-Related Activities among K-12 Students in Utah
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Dana Waltzman, Kelly Sarmiento, Deanna Ferrell, Vanonda Kern, and Chloe Roghaar
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The circumstances and nature of concussions among youth who play tackle, flag, or touch football are not well understood. This study used data from Utah's Student Injury Reporting System (SIRS) to explore suspected concussions among K-12 students sustained during participation in football-related activities (tackle, flag, or touch football). Descriptive statistics and chi-square analyses showed that 54.7% of suspected concussions due to football-related activity were among elementary and middle school and 41.3% were among high school students. Most suspected concussions resulted from being struck by or against something (81.9%) and occurred during school-sanctioned games and practices (37.9%), lunch, lunch recess, and recess (34.8%), or physical education class (22.7%). The type of school activity and context for suspected concussions varied by school level. School nurses and others in Utah may use study findings to customize concussion prevention efforts by school level and activity.
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- 2024
- Full Text
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15. Latent Variable Forests for Latent Variable Score Estimation
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Franz Classe and Christoph Kern
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We develop a "latent variable forest" (LV Forest) algorithm for the estimation of latent variable scores with one or more latent variables. LV Forest estimates unbiased latent variable scores based on "confirmatory factor analysis" (CFA) models with ordinal and/or numerical response variables. Through parametric model restrictions paired with a nonparametric tree-based machine learning approach, LV Forest estimates latent variable scores using models that are unbiased with respect to relevant subgroups in the population. This way, estimated latent variable scores are interpretable with respect to systematic influences of covariates without being biased by these variables. By building a tree ensemble, LV Forest takes parameter heterogeneity in latent variable modeling into account to capture subgroups with both good model fit and stable parameter estimates. We apply LV Forest to simulated data with heterogeneous model parameters as well as to real large-scale survey data. We show that LV Forest improves the accuracy of score estimation if parameter heterogeneity is present.
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- 2024
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16. Development of a TSR-based method for understanding structural relationships of cofactors and local environments in photosystem I.
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Luo, Lujun, Milon, Tarikul, Tandoh, Elijah, Galdamez, Walter, Chistoserdov, Andrei, Yu, Jianping, Kern, Jan, Wang, Yingchun, and Xu, Wu
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Cofactor and protein interaction ,Cofactor binding site and A and B branches ,Photosystem I ,Representation of cofactor 3D structures ,TSR-based method ,Photosystem I Protein Complex ,Algorithms ,Binding Sites ,Databases ,Protein ,Models ,Molecular ,Protein Conformation - Abstract
BACKGROUND: All chemical forms of energy and oxygen on Earth are generated via photosynthesis where light energy is converted into redox energy by two photosystems (PS I and PS II). There is an increasing number of PS I 3D structures deposited in the Protein Data Bank (PDB). The Triangular Spatial Relationship (TSR)-based algorithm converts 3D structures into integers (TSR keys). A comprehensive study was conducted, by taking advantage of the PS I 3D structures and the TSR-based algorithm, to answer three questions: (i) Are electron cofactors including P700, A-1 and A0, which are chemically identical chlorophylls, structurally different? (ii) There are two electron transfer chains (A and B branches) in PS I. Are the cofactors on both branches structurally different? (iii) Are the amino acids in cofactor binding sites structurally different from those not in cofactor binding sites? RESULTS: The key contributions and important findings include: (i) a novel TSR-based method for representing 3D structures of pigments as well as for quantifying pigment structures was developed; (ii) the results revealed that the redox cofactor, P700, are structurally conserved and different from other redox factors. Similar situations were also observed for both A-1 and A0; (iii) the results demonstrated structural differences between A and B branches for the redox cofactors P700, A-1, A0 and A1 as well as their cofactor binding sites; (iv) the tryptophan residues close to A0 and A1 are structurally conserved; (v) The TSR-based method outperforms the Root Mean Square Deviation (RMSD) and the Ultrafast Shape Recognition (USR) methods. CONCLUSIONS: The structural analyses of redox cofactors and their binding sites provide a foundation for understanding the unique chemical and physical properties of each redox cofactor in PS I, which are essential for modulating the rate and direction of energy and electron transfers.
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- 2025
17. Clinical Evidence of a Photoreceptor Origin in Diabetic Retinal Disease.
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Rajagopal, Rithwick and Kern, Timothy
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Diabetic retinopathy ,Photoreceptor ,Retinitis pigmentosa ,Retinol binding protein 3 - Abstract
CLINICAL RELEVANCE: Although diabetes is associated with a classic microvascular disease of the retina, it is also increasingly being recognized as a cause of retinal neuropathy. Preclinical evidence suggests that retinal neuropathy in diabetes manifests in part as photoreceptor dysfunction, preceding the development of vascular features in experimental models. It remains unknown whether such findings are relevant to patients with diabetes. METHODS: Here, we review 4 lines of clinical evidence suggesting that diabetes-associated photoreceptor pathology is linked to the development of retinal microvascular disease. RESULTS: First, a major population-based investigation of susceptibility loci for diabetic retinopathy (DR) implicated a photoreceptor protein product as a protective factor. Next, electroretinography and other studies of visual function collectively show that rod and/or cone-derived abnormalities occur decades before the development of vascular features of DR. Third, protection from DR seemingly develops in patients with coincident retinitis pigmentosa, as suggested by several case series. Finally, based on anatomic features, we propose that the beneficial effect of macular laser in DR occurs via ablation of diseased photoreceptors. CONCLUSIONS: The evidence we present is limited due to the small patient populations used in the studies we cite and due to the lack of methodologies that allow causative relationships to be inferred. Collectively, however, these clinical observations suggest that photoreceptors are involved in early diabetic retinal disease and may in fact give rise to the classic features of DR. FINANCIAL DISCLOSURES: Proprietary or commercial disclosures may be found in the Footnotes and Disclosures at the end of this article.
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- 2025
18. Tribute to Kenneth Sauer (1931-2022): a mentor, a role-model, and an inspiration to all in the field of photosynthesis.
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Yano, Junko, Kern, Jan, Blankenship, Robert, Messinger, Johannes, and Yachandra, Vittal
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Biography ,Ken Sauer ,Photosynthesis ,Tribute ,Photosynthesis ,History ,20th Century ,History ,21st Century ,Mentors - Abstract
Kenneth (Ken) Sauer was a mainstay of research in photosynthesis at the University of California, Berkeley and the Lawrence Berkeley National Laboratory (LBNL) for more than 50 years. Ken will be remembered by his colleagues, and other workers in the field of photosynthesis as well, for his pioneering work that introduced the physical techniques whose application have enriched our understanding of the basic reactions of oxygenic photosynthesis. His laboratory was a training ground for many students and postdocs who went on to success in the field of photosynthesis and many others. Trained as a physical chemist, he always brought that quantitative approach to research questions and used several spectroscopic methods in his research. His broad scientific interests concerned the role of manganese in oxygen evolution, electronic properties of chlorophylls, energy transport in antenna complexes, and electron transport reactions. He was also an enthusiastic teacher, an enormously successful mentor who leaves behind a legion of scientists as his abiding legacy, a lover of music and the outdoors with many interests beyond science, and a dedicated family man with a great sense of humility. In this tribute, we summarize some aspects of Ken Sauers life and career, illustrated with selected research achievements, and describe his approach to research and life as we perceived it, which is complemented by reminiscences of several current researchers in photosynthesis and other fields. The supporting material includes Ken Sauerss CV and publication list, as well as a list of the graduate students and postdocs he trained and of researchers that spent a sabbatical in his lab.
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- 2024
19. Ensemble Watermarks for Large Language Models
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Niess, Georg and Kern, Roman
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Computer Science - Computation and Language - Abstract
The rapid advancement of large language models (LLMs) has made it increasingly difficult to distinguish between text written by humans and machines. While watermarks already exist for LLMs, they often lack flexibility, and struggle with attacks such as paraphrasing. To address these issues, we propose a multi-feature method for generating watermarks that combines multiple distinct watermark features into an ensemble watermark. Concretely, we combine acrostica and sensorimotor norms with the established red-green watermark to achieve a 98% detection rate. After a paraphrasing attack the performance remains high with 95% detection rate. The red-green feature alone as baseline achieves a detection rate of 49%. The evaluation of all feature combinations reveals that the ensemble of all three consistently has the highest detection rate across several LLMs and watermark strength settings. Due to the flexibility of combining features in the ensemble, various requirements and trade-offs can be addressed. Additionally, for all ensemble configurations the same detection function can be used without adaptations. This method is particularly of interest to facilitate accountability and prevent societal harm., Comment: 9 pages in the main body. Code is available at http://github.com/CommodoreEU/master-generation. arXiv admin note: substantial text overlap with arXiv:2405.08400
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- 2024
20. Experimental tests of the calibration of high precision differential astrometry for exoplanets
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Lizzana, Manon, Malbet, Fabien, Kern, Pierre, Pancher, Fabrice, Soler, Sébastien, Lepine, Thierry, and Leger, Alain
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Astrophysics - Instrumentation and Methods for Astrophysics ,Astrophysics - Earth and Planetary Astrophysics - Abstract
High precision differential Astrometry is the branch of astronomy that evaluates the relative position, distance and motion of celestial objects with respect to the stars present in the field of view. A mission called Theia has been submitted in 2022 for ESA's M7 call for missions, using a diffraction-limited telescope about 1m in diameter and with a field of view of 0.5 degrees, capable of achieving sub-micro-arcsecond angular accuracy, corresponding to 1e-5 pixel on the detector. Such precision makes it possible to study the nature of dark matter in our galaxy and to reveal the architecture of exoplanetary systems close to the Sun, down to the mass of the Earth. The aim of the experimental tests presented in this poster is to improve the TRL of 2 specific aspects: the calibration of new CMOS detectors with very large number of pixels and the calibration of the telescope aberrations.First, a key element of such a space telescope is the focal plane, which must be calibrated spatially with an extreme precision down to the 1e-5 pixel level. Previous work has shown that this is possible with small detector matrices (80x80 px) [1]. The goal is now to check the performances and validate this method with the new very large detectors. Pyxalis, a company based near Grenoble, is developing very large detectors (8000x5000 px) that have a low noise level and high sensitivity. The aim is to characterize and validate this type of detectors in a laboratory demonstration (see poster Pancher et al.), to ensure that the performance achieved meets the required specifications. We present the results of these characterization in this contribution.The telescope stability is also a sensitive issue. Recent work [2] has shown that the reference stars in the field of the telescope can be used as actual metrology sources in order to compute the field distortion function. Our simulations allow to model the optical aberrations with bivariate polynoms. The effects on the calibration accuracy of the degrees of the polynoms, the number of reference stars and the tilt perturbation of the M2 mirror are investigated. This poster will present the latest results obtained on a test bed developed to experimentally study the performances of this new field calibration method.
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- 2024
21. Evaluating Large Language Models for Causal Modeling
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Razouk, Houssam, Benischke, Leonie, Niess, Georg, and Kern, Roman
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Computer Science - Computation and Language ,I.2.0 - Abstract
In this paper, we consider the process of transforming causal domain knowledge into a representation that aligns more closely with guidelines from causal data science. To this end, we introduce two novel tasks related to distilling causal domain knowledge into causal variables and detecting interaction entities using LLMs. We have determined that contemporary LLMs are helpful tools for conducting causal modeling tasks in collaboration with human experts, as they can provide a wider perspective. Specifically, LLMs, such as GPT-4-turbo and Llama3-70b, perform better in distilling causal domain knowledge into causal variables compared to sparse expert models, such as Mixtral-8x22b. On the contrary, sparse expert models such as Mixtral-8x22b stand out as the most effective in identifying interaction entities. Finally, we highlight the dependency between the domain where the entities are generated and the performance of the chosen LLM for causal modeling., Comment: 13 pages, 6 figutrd, 4 tabels
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- 2024
22. Impacts and Statistical Mitigation of Missing Data on the 21cm Power Spectrum: A Case Study with the Hydrogen Epoch of Reionization Array
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Chen, Kai-Feng, Wilensky, Michael J., Liu, Adrian, Dillon, Joshua S., Hewitt, Jacqueline N., Adams, Tyrone, Aguirre, James E., Baartman, Rushelle, Beardsley, Adam P., Berkhout, Lindsay M., Bernardi, Gianni, Billings, Tashalee S., Bowman, Judd D., Bull, Philip, Burba, Jacob, Byrne, Ruby, Carey, Steven, Choudhuri, Samir, Cox, Tyler, DeBoer, David R., Dexter, Matt, Eksteen, Nico, Ely, John, Ewall-Wice, Aaron, Furlanetto, Steven R., Gale-Sides, Kingsley, Garsden, Hugh, Gehlot, Bharat Kumar, Gorce, Adélie, Gorthi, Deepthi, Halday, Ziyaad, Hazelton, Bryna J., Hickish, Jack, Jacobs, Daniel C., Josaitis, Alec, Kern, Nicholas S., Kerrigan, Joshua, Kittiwisit, Piyanat, Kolopanis, Matthew, La Plante, Paul, Lanman, Adam, Ma, Yin-Zhe, MacMahon, David H. E., Malan, Lourence, Malgas, Cresshim, Malgas, Keith, Marero, Bradley, Martinot, Zachary E., McBride, Lisa, Mesinger, Andrei, Mohamed-Hinds, Nicel, Molewa, Mathakane, Morales, Miguel F., Murray, Steven G., Nuwegeld, Hans, Parsons, Aaron R., Pascua, Robert, Qin, Yuxiang, Rath, Eleanor, Razavi-Ghods, Nima, Robnett, James, Santos, Mario G., Sims, Peter, Singh, Saurabh, Storer, Dara, Swarts, Hilton, Tan, Jianrong, van Wyngaarden, Pieter, and Zheng, Haoxuan
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Astrophysics - Cosmology and Nongalactic Astrophysics - Abstract
The precise characterization and mitigation of systematic effects is one of the biggest roadblocks impeding the detection of the fluctuations of cosmological 21cm signals. Missing data in radio cosmological experiments, often due to radio frequency interference (RFI), poses a particular challenge to power spectrum analysis as it could lead to the ringing of bright foreground modes in Fourier space, heavily contaminating the cosmological signals. Here we show that the problem of missing data becomes even more arduous in the presence of systematic effects. Using a realistic numerical simulation, we demonstrate that partially flagged data combined with systematic effects can introduce significant foreground ringing. We show that such an effect can be mitigated through inpainting the missing data. We present a rigorous statistical framework that incorporates the process of inpainting missing data into a quadratic estimator of the 21cm power spectrum. Under this framework, the uncertainties associated with our inpainting method and its impact on power spectrum statistics can be understood. These results are applied to the latest Phase II observations taken by the Hydrogen Epoch of Reionization Array, forming a crucial component in power spectrum analyses as we move toward detecting 21cm signals in the ever more noisy RFI environment., Comment: 25 pages, 11 figures; Replaced to match accepted ApJ version. New version contains small editorial changes throughout in response to referee comments, no changes to results
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- 2024
23. Increasing the Accessibility of Causal Domain Knowledge via Causal Information Extraction Methods: A Case Study in the Semiconductor Manufacturing Industry
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Razouk, Houssam, Benischke, Leonie, Garber, Daniel, and Kern, Roman
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Computer Science - Computation and Language ,Computer Science - Artificial Intelligence - Abstract
The extraction of causal information from textual data is crucial in the industry for identifying and mitigating potential failures, enhancing process efficiency, prompting quality improvements, and addressing various operational challenges. This paper presents a study on the development of automated methods for causal information extraction from actual industrial documents in the semiconductor manufacturing industry. The study proposes two types of causal information extraction methods, single-stage sequence tagging (SST) and multi-stage sequence tagging (MST), and evaluates their performance using existing documents from a semiconductor manufacturing company, including presentation slides and FMEA (Failure Mode and Effects Analysis) documents. The study also investigates the effect of representation learning on downstream tasks. The presented case study showcases that the proposed MST methods for extracting causal information from industrial documents are suitable for practical applications, especially for semi structured documents such as FMEAs, with a 93\% F1 score. Additionally, MST achieves a 73\% F1 score on texts extracted from presentation slides. Finally, the study highlights the importance of choosing a language model that is more aligned with the domain and in-domain fine-tuning., Comment: 17 pages, 2 figures
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- 2024
24. Establishing and Evaluating Trustworthy AI: Overview and Research Challenges
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Kowald, Dominik, Scher, Sebastian, Pammer-Schindler, Viktoria, Müllner, Peter, Waxnegger, Kerstin, Demelius, Lea, Fessl, Angela, Toller, Maximilian, Estrada, Inti Gabriel Mendoza, Simic, Ilija, Sabol, Vedran, Truegler, Andreas, Veas, Eduardo, Kern, Roman, Nad, Tomislav, and Kopeinik, Simone
- Subjects
Computer Science - Machine Learning ,Computer Science - Information Retrieval - Abstract
Artificial intelligence (AI) technologies (re-)shape modern life, driving innovation in a wide range of sectors. However, some AI systems have yielded unexpected or undesirable outcomes or have been used in questionable manners. As a result, there has been a surge in public and academic discussions about aspects that AI systems must fulfill to be considered trustworthy. In this paper, we synthesize existing conceptualizations of trustworthy AI along six requirements: 1) human agency and oversight, 2) fairness and non-discrimination, 3) transparency and explainability, 4) robustness and accuracy, 5) privacy and security, and 6) accountability. For each one, we provide a definition, describe how it can be established and evaluated, and discuss requirement-specific research challenges. Finally, we conclude this analysis by identifying overarching research challenges across the requirements with respect to 1) interdisciplinary research, 2) conceptual clarity, 3) context-dependency, 4) dynamics in evolving systems, and 5) investigations in real-world contexts. Thus, this paper synthesizes and consolidates a wide-ranging and active discussion currently taking place in various academic sub-communities and public forums. It aims to serve as a reference for a broad audience and as a basis for future research directions., Comment: Accepted in Frontiers in Big Data and AI, Research Topic: Towards Fair AI for Trustworthy Artificial Intelligence
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- 2024
25. Algorithms in 4-manifold topology
- Author
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Bastl, Stefan, Burke, Rhuaidi, Chatterjee, Rima, Dey, Subhankar, Durst, Alison, Friedl, Stefan, Galvin, Daniel, Rivas, Alejandro García, Hirsch, Tobias, Hobohm, Cara, Hsueh, Chun-Sheng, Kegel, Marc, Kern, Frieda, Lee, Shun Ming Samuel, Löh, Clara, Manikandan, Naageswaran, Mousseau, Léo, Munser, Lars, Pencovitch, Mark, Perras, Patrick, Powell, Mark, Quintanilha, José Pedro, Schambeck, Lisa, Suchodoll, David, Tancer, Martin, Thiele, Annika, Truöl, Paula, Uschold, Matthias, Veselá, Simona, Weiß, Melvin, and von Wunsch-Rolshoven, Magdalina
- Subjects
Mathematics - Geometric Topology ,57K40, 57K10, 57R65 - Abstract
We show that there exists an algorithm that takes as input two closed, simply connected, topological 4-manifolds and decides whether or not these 4-manifolds are homeomorphic. In particular, we explain in detail how closed, simply connected, topological 4-manifolds can be naturally represented by a Kirby diagram consisting only of 2-handles. This representation is used as input for our algorithm. Along the way, we develop an algorithm to compute the Kirby-Siebenmann invariant of a closed, simply connected, topological 4-manifold from any of its Kirby diagrams and describe an algorithm that decides whether or not two intersection forms are isometric. In a slightly different direction, we discuss the decidability of the stable classification of smooth manifolds with more general fundamental groups. Here we show that there exists an algorithm that takes as input two closed, oriented, smooth 4-manifolds with fundamental groups isomorphic to a finite group with cyclic Sylow 2-subgroup, an infinite cyclic group, or a group of geometric dimension at most 3 (in the latter case we additionally assume that the universal covers of both 4-manifolds are not spin), and decides whether or not these two 4-manifolds are orientation-preserving stably diffeomorphic., Comment: 24 pages, 1 Figure
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- 2024
26. Visualizing hot carrier dynamics by nonlinear optical microscopy at the atomic length scale
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Luo, Yang, Sheng, Shaoxiang, Schirato, Andrea, Martin-Jimenez, Alberto, Della Valle, Giuseppe, Cerullo, Giulio, Kern, Klaus, and Garg, Manish
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Physics - Optics ,Physics - Applied Physics - Abstract
Probing and manipulating the spatiotemporal dynamics of hot carriers in nanoscale metals is crucial to a plethora of applications ranging from nonlinear nanophotonics to single molecule photochemistry. The direct investigation of these highly non-equilibrium carriers requires the experimental capability of high energy resolution (~ meV) broadband femtosecond spectroscopy. When considering the ultimate limits of atomic scale structures, this capability has remained out of reach until date. Using a two color femtosecond pump-probe spectroscopy, we present here the real-time tracking of hot carrier dynamics in a well-defined plasmonic picocavity, formed in the tunnel junction of a scanning tunneling microscope (STM). The excitation of hot carriers in the picocavity enables ultrafast all optical control over the broadband (~ eV) anti Stokes electronic resonance Raman scattering (ERRS) and the four-wave mixing (FWM) signals generated at the atomic length scale. By mapping the ERRS and FWM signals from a single graphene nanoribbon (GNR), we demonstrate that both signals are more efficiently generated along the edges of the GNR: a manifestation of atomic-scale nonlinear optical microscopy. This demonstration paves the way to the development of novel ultrafast nonlinear picophotonic platforms, affording unique opportunities in a variety of contexts, from the direct investigation of non equilibrium light matter interactions in complex quantum materials, to the development of robust strategies for hot carriers harvesting in single molecules and the next generation of active metasurfaces with deep-sub-wavelength meta-atoms.
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- 2024
27. Uncertainty quantification for fast reconstruction methods using augmented equivariant bootstrap: Application to radio interferometry
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Cherif, Mostafa, Liaudat, Tobías I., Kern, Jonathan, Kervazo, Christophe, and Bobin, Jérôme
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Astrophysics - Instrumentation and Methods for Astrophysics ,Computer Science - Machine Learning - Abstract
The advent of next-generation radio interferometers like the Square Kilometer Array promises to revolutionise our radio astronomy observational capabilities. The unprecedented volume of data these devices generate requires fast and accurate image reconstruction algorithms to solve the ill-posed radio interferometric imaging problem. Most state-of-the-art reconstruction methods lack trustworthy and scalable uncertainty quantification, which is critical for the rigorous scientific interpretation of radio observations. We propose an unsupervised technique based on a conformalized version of a radio-augmented equivariant bootstrapping method, which allows us to quantify uncertainties for fast reconstruction methods. Noticeably, we rely on reconstructions from ultra-fast unrolled algorithms. The proposed method brings more reliable uncertainty estimations to our problem than existing alternatives., Comment: 14 pages, 7 figures. Accepted at the Machine Learning and the Physical Sciences Workshop, NeurIPS 2024
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- 2024
28. Laboratory characterisation bench for high precision astrometry
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Pancher, Fabrice, Soler, Sebastien, Malbet, Fabien, Lizzana, Manon, Kern, Pierre, Lepine, Thierry, and Leger, Alain
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Astrophysics - Instrumentation and Methods for Astrophysics ,Astrophysics - Earth and Planetary Astrophysics ,Astrophysics - Solar and Stellar Astrophysics ,Physics - Optics - Abstract
High precision differential astrometry assesses the positions, distances, and motions of celestial objects in relation to the stars. The focal plane of such space telescope must be calibrated with a precision down to the level of 1e-5 pixel in order to be able to detect Earth-like planets in the close vicinity of the Sun. The presented characterization bench is designed to improve the technology readiness level for the following key points: calibration of new detectors with a high number of pixels and correcting the field distortion using stars in the field of view. The first aim of the project concentrates on the characterization of a 46 megapixels sensor from PYXALIS, to assess its typical parameters using an integrating sphere. The next objective intends to map the intra and extra pixel quantum yield of the detector with a precision of 1e-5 pixels and investigate the evolution of the pixel geometry in response to environment fluctuations. To conduct these tests, an optical bench is designed with an LCD screen and a doublet, used as a source that allows directing light to specific groups of pixels. Interferometric calibration of the detector pixel centroid position will be achieved using fibers that illuminate the detector with Young's fringes. To characterize the distortion of the detector, a diaphragm will produce adjustable optical aberrations to be corrected and therefore change the source sensor positional relationship. The final step involves the simulation of a star's field, which will be imaged on the detector to assess optical quality., Comment: 5 pages, 4 figures, conference "ICSO 2024"
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- 2024
29. Revisiting Differential Verification: Equivalence Verification with Confidence
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Teuber, Samuel, Kern, Philipp, Janzen, Marvin, and Beckert, Bernhard
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Computer Science - Machine Learning ,Computer Science - Logic in Computer Science - Abstract
When validated neural networks (NNs) are pruned (and retrained) before deployment, it is desirable to prove that the new NN behaves equivalently to the (original) reference NN. To this end, our paper revisits the idea of differential verification which performs reasoning on differences between NNs: On the one hand, our paper proposes a novel abstract domain for differential verification admitting more efficient reasoning about equivalence. On the other hand, we investigate empirically and theoretically which equivalence properties are (not) efficiently solved using differential reasoning. Based on the gained insights, and following a recent line of work on confidence-based verification, we propose a novel equivalence property that is amenable to Differential Verification while providing guarantees for large parts of the input space instead of small-scale guarantees constructed w.r.t. predetermined input points. We implement our approach in a new tool called VeryDiff and perform an extensive evaluation on numerous old and new benchmark families, including new pruned NNs for particle jet classification in the context of CERN's LHC where we observe median speedups >300x over the State-of-the-Art verifier alpha,beta-CROWN., Comment: Accepted at TACAS 2025, 31st International Conference on Tools and Algorithms for the Construction and Analysis of Systems; 47 pages (main paper has 16 pages); 8 figures
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- 2024
30. hateUS -- Analysis, impact of Social media use and Hate speech over University Student platforms: Case study, Problems, and Solutions
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Kshetri, Naresh, Carter, Will, Kern, Seth, Mensah, Richard, and Pokharel, Bishwo Prakash
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Computer Science - Social and Information Networks ,Computer Science - Computers and Society - Abstract
The use of social media applications, hate speech engagement, and public debates among teenagers, primarily by university and college students, is growing day by day. The feelings of tremendous stress, anxiety, and depression via social media among our youths have a direct impact on their daily lives and personal workspace apart from delayed sleep, social media addictions, and memory loss. The use of NO phone times and NO phone zones is now popular in workplaces and family cultures. The use of hate speech, negotiations, and toxic words can lead to verbal abuse and cybercrime. Growing concern of mobile device security, cyberbullying, ransomware attacks, and mental health issues are another serious impact of social media among university students. The future challenges including health issues of social media use and hate speech has a serious impact on livelihood, freedom, and diverse communities of university students. Our case study is related to social media use and hate speech related to public debates over university students. We have presented the analysis and impact of social media and hate speech with several conclusions, cybercrimes, and components. The use of questionnaires for collecting primary data over university students help in the analysis of case study. The conclusion of case study and future scope of the research is extremely important to counter negative impacts., Comment: 12 pages, 7 figures
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- 2024
31. A novel approach to hydrodynamics for long-range generalized exclusion
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Gonçalves, Patrícia, Kern, Julian, and Xu, Lu
- Subjects
Mathematics - Probability ,Mathematical Physics ,60K35, 35S10, 35S16 - Abstract
We consider a class of generalized long-range exclusion processes evolving either on $\mathbb Z$ or on a finite lattice with an open boundary. The jump rates are given in terms of a general kernel depending on both the departure and destination sites, and it is such that the particle displacement has an infinite expectation, but some tail bounds are satisfied. We study the superballisitic scaling limit of the particle density and prove that its space-time evolution is concentrated on the set of weak solutions to a non-local transport equation. Since the stationary states of the dynamics are unknown, we develop a new approach to such a limit relying only on the algebraic structure of the Markovian generator., Comment: 28 pages, 2 figures
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- 2024
32. Attosecond pulses from a solid driven by a synthesized two-color field at megahertz repetition rate
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Chen, Zhaopin, Levit, Mark, Kern, Yuval, Roy, Basabendra, Goldner, Adi, and Krüger, Michael
- Subjects
Physics - Optics ,Quantum Physics - Abstract
Probing coherent quantum dynamics in light-matter interactions at the microscopic level requires high-repetition-rate isolated attosecond pulses (IAPs) in pump-probe experiments. To date, the generation of IAPs has been mainly limited to the kilohertz regime. In this work, we experimentally achieve attosecond control of extreme-ultraviolet (XUV) high harmonics in the wide-bandgap dielectric MgO, driven by a synthesized field of two femtosecond pulses at 800nm and 2000nm with relative phase stability. The resulting quasi-continuous harmonic plateau with ~ 9 eV spectral width centered around 16.5 eV photon energy can be tuned by the two-color phase and supports the generation of an IAP (~ 730 attoseconds), confirmed by numerical simulation based on three-band semiconductor Bloch equations. Leveraging the high-repetition-rate driver laser and the moderate intensity requirements of solid-state high-harmonic generation, we achieve IAP production at an unprecedented megahertz repetition rate, paving the way for all-solid compact XUV sources for IAP generation., Comment: 28 pages, 10 figures
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- 2024
33. Categorical spectra as pointed $(\infty,\mathbb{Z})$-categories
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Kern, David
- Subjects
Mathematics - Category Theory ,Mathematics - Algebraic Topology ,18N65, 55P42 - Abstract
Lessard's $\mathbb{Z}$-categories are an analogue of $\omega$-categories possessing cells in all positive and negative dimensions. Categorical spectra, developed by Stefanich, are an analogue of spectra obtained by replacing the suspension of pointed $\infty$-groupoids by that of pointed $(\infty,\omega)$-categories. We give an $\infty$-categorical definition of weak $\mathbb{Z}$-categories (alias $(\infty,\mathbb{Z})$-categories), and show categorical spectra to be equivalent to pointed $(\infty,\mathbb{Z})$-categories. In particular, we show that the stable cells of categorical spectra coincide with the natural cells of $(\infty,\mathbb{Z})$-categories, and recover Lessard's description of spectra as pointed weak $\mathbb{Z}$-groupoids., Comment: 16 pages. Comments are welcome! V2: Added section (now) 3.2 on monoidal structures
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- 2024
34. What Did I Say Again? Relating User Needs to Search Outcomes in Conversational Commerce
- Author
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Schott, Kevin, Papenmeier, Andrea, Hienert, Daniel, and Kern, Dagmar
- Subjects
Computer Science - Human-Computer Interaction - Abstract
Recent advances in natural language processing and deep learning have accelerated the development of digital assistants. In conversational commerce, these assistants help customers find suitable products in online shops through natural language conversations. During the dialogue, the assistant identifies the customer's needs and preferences and subsequently suggests potentially relevant products. Traditional online shops often allow users to filter search results based on their preferences using facets. Selected facets can also serve as a reminder of how the product base was filtered. In conversational commerce, however, the absence of facets and the use of advanced natural language processing techniques can leave customers uncertain about how their input was processed by the system. This can hinder transparency and trust, which are critical factors influencing customers' purchase intentions. To address this issue, we propose a novel text-based digital assistant that, in the product assessment step, explains how specific product aspects relate to the user's previous utterances to enhance transparency and facilitate informed decision-making. We conducted a user study (N=135) and found a significant increase in user-perceived transparency when natural language explanations and highlighted text passages were provided, demonstrating their potential to extend system transparency to the product assessment step in conversational commerce.
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- 2024
- Full Text
- View/download PDF
35. A Generalized Method for Characterizing 21-cm Power Spectrum Signal Loss from Temporal Filtering of Drift-scanning Visibilities
- Author
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Pascua, Robert, Martinot, Zachary E., Liu, Adrian, Aguirre, James E., Kern, Nicholas S., Dillon, Joshua S., Wilensky, Michael J., Fagnoni, Nicolas, Acedo, Eloy de Lera, and DeBoer, David
- Subjects
Astrophysics - Cosmology and Nongalactic Astrophysics ,Astrophysics - Instrumentation and Methods for Astrophysics - Abstract
A successful detection of the cosmological 21-cm signal from intensity mapping experiments (for example, during the Epoch of Reioinization or Cosmic Dawn) is contingent on the suppression of subtle systematic effects in the data. Some of these systematic effects, with mutual coupling a major concern in interferometric data, manifest with temporal variability distinct from that of the cosmological signal. Fringe-rate filtering -- a time-based Fourier filtering technique -- is a powerful tool for mitigating these effects; however, fringe-rate filters also attenuate the cosmological signal. Analyses that employ fringe-rate filters must therefore be supplemented by careful accounting of the signal loss incurred by the filters. In this paper, we present a generalized formalism for characterizing how the cosmological 21-cm signal is attenuated by linear time-based filters applied to interferometric visibilities from drift-scanning telescopes. Our formalism primarily relies on analytic calculations and therefore has a greatly reduced computational cost relative to traditional Monte Carlo signal loss analyses. We apply our signal loss formalism to a filtering strategy used by the Hydrogen Epoch of Reionization Array (HERA) and compare our analytic predictions against signal loss estimates obtained through a Monte Carlo analysis. We find excellent agreement between the analytic predictions and Monte Carlo estimates and therefore conclude that HERA, as well as any other drift-scanning interferometric experiment, should use our signal loss formalism when applying linear, time-based filters to the visibilities., Comment: 27 pages, 11 figures, submitted to ApJ
- Published
- 2024
36. Constraining Anomaly Detection with Anomaly-Free Regions
- Author
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Toller, Maximilian, Hussain, Hussain, Kern, Roman, and Geiger, Bernhard C.
- Subjects
Computer Science - Machine Learning - Abstract
We propose the novel concept of anomaly-free regions (AFR) to improve anomaly detection. An AFR is a region in the data space for which it is known that there are no anomalies inside it, e.g., via domain knowledge. This region can contain any number of normal data points and can be anywhere in the data space. AFRs have the key advantage that they constrain the estimation of the distribution of non-anomalies: The estimated probability mass inside the AFR must be consistent with the number of normal data points inside the AFR. Based on this insight, we provide a solid theoretical foundation and a reference implementation of anomaly detection using AFRs. Our empirical results confirm that anomaly detection constrained via AFRs improves upon unconstrained anomaly detection. Specifically, we show that, when equipped with an estimated AFR, an efficient algorithm based on random guessing becomes a strong baseline that several widely-used methods struggle to overcome. On a dataset with a ground-truth AFR available, the current state of the art is outperformed., Comment: Accepted at the 15th IEEE International Conference on Knowledge Graph (ICKG)
- Published
- 2024
37. Dependencies in Item-Adaptive CAT Data and Differential Item Functioning Detection: A Multilevel Framework
- Author
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Kaptur, Dandan Chen, Kern, Justin, Shin, Chingwei David, and Zhang, Jinming
- Subjects
Statistics - Applications - Abstract
This study investigates differential item functioning (DIF) detection in computerized adaptive testing (CAT) using multilevel modeling. We argue that traditional DIF methods have proven ineffective in CAT due to the hierarchical nature of the data. Our proposed two-level model accounts for dependencies between items via provisional ability estimates. Simulations revealed that our model outperformed others in Type-I error control and power, particularly in scenarios with high exposure rates and longer tests. Expanding item pools, incorporating item parameters, and exploring Bayesian estimation are recommended for future research to further enhance DIF detection in CAT. Balancing model complexity with convergence remains a key challenge for robust outcomes., Comment: 38 pages, preprint
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- 2024
38. An Informatics Framework for the Design of Sustainable, Chemically Recyclable, Synthetically-Accessible and Durable Polymers
- Author
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Kern, Joseph, Su, Yongliang, Gutekunst, Will, and Ramprasad, Rampi
- Subjects
Physics - Chemical Physics ,Condensed Matter - Materials Science ,Condensed Matter - Soft Condensed Matter - Abstract
We present a novel approach to design durable and chemically recyclable ring-opening polymerization (ROP) class polymers. This approach employs digital reactions using virtual forward synthesis (VFS) to generate over 7 million ROP polymers and machine learning techniques to rapidly predict thermal, thermodynamic and mechanical properties crucial for application-specific performance and recyclability. This combined methodology enables the generation and evaluation of millions of hypothetical ROP polymers from known and commercially available molecules, guiding the selection of approximately 35,000 candidates with optimal features for sustainability and practical utility. Three of these recommended candidates have passed validation tests in the physical lab - two of the three by others, as published previously elsewhere, and one of them is a new thiocane polymer synthesized, tested and reported here. This paper presents the framework, methodology, and initial findings of our study, highlighting the potential of VFS and machine learning to enable a large-scale search of the polymer universe and advance the development of recyclable and environmentally benign polymers., Comment: 26 pages, 6 figures
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- 2024
39. Attosecond Inner-Shell Lasing at Angstrom Wavelengths
- Author
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Linker, Thomas M., Halavanau, Aliaksei, Kroll, Thomas, Benediktovitch, Andrei, Zhang, Yu, Michine, Yurina, Chuchurka, Stasis, Abhari, Zain, Ronchetti, Daniele, Fransson, Thomas, Weninger, Clemens, Fuller, Franklin D., Aquila, Andy, Alonso-Mori, Roberto, Boutet, Sebastien, Guetg, Marc W., Marinelli, Agostino, Lutman, Alberto A., Yabashi, Makina, Inoue, Ichiro, Osaka, Taito, Yamada, Jumpei, Inubushi, Yuichi, Yamaguchi, Gota, Hara, Toru, Babu, Ganguli, Salpekar, Devashish, Sayed, Farheen N., Ajayan, Pulickel M., Kern, Jan, Yano, Junko, Yachandra, Vittal K., Kling, Matthias F., Pellegrini, Claudio, Yoneda, Hitoki, Rohringer, Nina, and Bergmann, Uwe
- Subjects
Physics - Optics ,Physics - Atomic Physics - Abstract
Since the invention of the laser nonlinear effects such as filamentation, Rabi-cycling and collective emission have been explored in the optical regime leading to a wide range of scientific and industrial applications. X-ray free electron lasers (XFELs) have led to the extension of many optical techniques to X-rays for their advantages of angstrom scale spatial resolution and elemental specificity. One such example is XFEL driven population inversion of 1s core hole states resulting in inner-shell K${\alpha}$ (2p to 1s) X-ray lasing in elements ranging from neon to copper, which has been utilized for nonlinear spectroscopy and development of next generation X-ray laser sources. Here we show that strong lasing effects, similar to those observed in the optical regime, can occur at 1.5 to 2.1 angstrom wavelengths during high intensity (> ${10^{19}}$ W/cm${^{2}}$) XFEL driven inner-shell lasing and superfluorescence of copper and manganese. Depending on the temporal substructure of the XFEL pump pulses(containing ${~10^{6}}$ - ${10^{8}}$ photons) i, the resulting inner-shell X-ray laser pulses can exhibit strong spatial inhomogeneities as well as spectral splitting, inhomogeneities and broadening. Through 3D Maxwell Bloch theory we show that the observed spatial inhomogeneities result from X-ray filamentation, and that the spectral splitting and broadening is driven by Rabi cycling with sub-femtosecond periods. Our simulations indicate that these X-ray pulses can have pulse lengths of less than 100 attoseconds and coherence properties that open the door for quantum X-ray optics applications.
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- 2024
40. A Confidential Computing Transparency Framework for a Comprehensive Trust Chain
- Author
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Kocaoğullar, Ceren, Marjanov, Tina, Petrov, Ivan, Laurie, Ben, Cutter, Al, Kern, Christoph, Hutchings, Alice, and Beresford, Alastair R.
- Subjects
Computer Science - Cryptography and Security - Abstract
Confidential Computing enhances privacy of data in-use through hardware-based Trusted Execution Environments (TEEs) that use attestation to verify their integrity, authenticity, and certain runtime properties, along with those of the binaries they execute. However, TEEs require user trust, as attestation alone cannot guarantee the absence of vulnerabilities or backdoors. Enhanced transparency can mitigate the reliance on naive trust. Some organisations currently employ various transparency measures, including open-source firmware, publishing technical documentation, or undergoing external audits, but these require investments with unclear returns. This may discourage the adoption of transparency, leaving users with limited visibility into system privacy measures. Additionally, the lack of standardisation complicates meaningful comparisons between implementations. To address these challenges, we propose a three-level conceptual framework providing organisations with a practical pathway to incrementally improve Confidential Computing transparency. To evaluate whether our transparency framework contributes to an increase in end-user trust, we conducted an empirical study with over 800 non-expert participants. The results indicate that greater transparency improves user comfort, with participants willing to share various types of personal data across different levels of transparency. The study also reveals misconceptions about transparency, highlighting the need for clear communication and user education.
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- 2024
41. First 5 Kern Annual Report 2022-2023
- Author
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First 5 Kern and Jianjun Wang
- Abstract
A 50-cent-per-pack tax on cigarettes and other tobacco products has been endorsed by California voters to fund early childhood services under Proposition 10, California Children and Families First Act of 1998. In compliance with the legislative requirement of Result-Based Accountability (RBA) on revenue spending, this report delineates evaluation findings from 39 programs that received over $7.7 million of the annual state investment in Kern County, the third largest county in California by land area. Following the RBA model, this report incorporates qualitative and quantitative analyses of the program's effectiveness and service integration. A five-chapter structure is adopted to support the dissemination of the multilevel findings in Fiscal Year 2022-2023 -- Built on the description of the Commission leadership in Chapter 1, Chapter 2 contains assessment findings to address the program impact on Child Health, Family Functioning, and Child Development. Chapter 3 clarifies service partnership building in Systems of Care. Improvement of child well-being and family functioning is summarized in Chapter 4 to document the turning-the-curve process on important indicators of child well-being and parent support. The report concludes in Chapter 5 with a review of past recommendations and an introduction to new recommendations for next year. Netdraw, Quanteda in R, SAS and SPSS packages are employed to support data visualization, text analytics, and statistical computing. [For "First 5 Kern Annual Report 2021-2022," see ED626036.]
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- 2024
42. Task-Based Elementary Spanish in Rural Indiana: A Practice-Based Collaboration
- Author
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Laura Gurzynski-Weiss, Madison Wray, Mackenzie Coulter-Kern, and Johana Bernardo
- Abstract
Spanish is the second most spoken language in the United States and the most taught additional language (L2) in elementary-level schools. However, the amount and type of access differs according to the resources available. Rural settings, which comprise a third of all schools in the US, often have fewer resources and support for the development and maintenance of exposure-track L2 programs, which meet once per week with the goal of, as the name suggests, providing exposure to the L2, rather than a focus on cumulative language development. Given that there are immediate and long-term benefits of even low levels of early bilingualism, ensuring access to quality L2 education is a matter of equity. This paper centers on the first year of a longitudinal collaboration between an exposure-track Spanish language teacher in a rural elementary school, and the research team who created a task-based program tailored for the school following a needs analysis. We analyze the first year of the grant-funded program based on task effectiveness, student enjoyment, and teacher perspectives. We contextualize results within the rural community and offer initial longitudinal data on US exposure-track Spanish. We detail how we adjusted the program for the second year, are freely sharing the materials on the Task Bank (tblt.indiana.edu) and have transferred the program to the teacher's autonomy. Finally, we highlight that the success of this program was and is due to the collaborative nature of the partnership between the teacher, the researchers, and the administrators.
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- 2024
43. Improving Student Attitudes toward Autistic Individuals: A Systematic Review
- Author
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Elise Settanni, Lee Kern, and Alyssa M. Blasko
- Abstract
There is an increasing number of autistic students being educated alongside their neurotypical peers. However, placing a student in the general education setting is not sufficient for meaningful inclusion. Historically, autistic students have had fewer friendships, been less accepted, and experienced stigmatization. Interventions to increase peer attitudes toward autism have emerged as a method for creating more inclusive environments. The purpose of this literature review was to describe the interventions to improve peer attitudes toward autism, review the quality of the research, and determine the effectiveness of interventions. Specifically, this review aimed to answer the following questions: (1) what are participant characteristics and components of interventions designed to improve attitudes toward autistic individuals? (2) What is the methodological quality of interventions designed to improve attitudes toward autistic individuals, as measured by Council for Exceptional Children standards for evidence-based practices in special education (2014) criteria? (3) What is the effectiveness of interventions to improve attitudes toward autistic individuals? A total of 13 studies were located through a systematic search. Included studies were coded for study characteristics, participant characteristics, intervention, and outcomes. Across the studies, there were a total of 2097 participants. All studies included contact (either direct, indirect, or peer-mediation) and most included an education component (k = 10). Findings indicated that interventions are effective at improving attitudes toward autism, but further research is required to determine their overall impact.
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- 2024
- Full Text
- View/download PDF
44. Temporally distinct 3D multi-omic dynamics in the developing human brain
- Author
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Heffel, Matthew G, Zhou, Jingtian, Zhang, Yi, Lee, Dong-Sung, Hou, Kangcheng, Pastor-Alonso, Oier, Abuhanna, Kevin D, Galasso, Joseph, Kern, Colin, Tai, Chu-Yi, Garcia-Padilla, Carlos, Nafisi, Mahsa, Zhou, Yi, Schmitt, Anthony D, Li, Terence, Haeussler, Maximilian, Wick, Brittney, Zhang, Martin Jinye, Xie, Fangming, Ziffra, Ryan S, Mukamel, Eran A, Eskin, Eleazar, Nowakowski, Tomasz J, Dixon, Jesse R, Pasaniuc, Bogdan, Ecker, Joseph R, Zhu, Quan, Bintu, Bogdan, Paredes, Mercedes F, and Luo, Chongyuan
- Subjects
Biological Sciences ,Genetics ,Human Genome ,Neurosciences ,Mental Illness ,Mental Health ,Brain Disorders ,2.1 Biological and endogenous factors ,1.1 Normal biological development and functioning ,Neurological ,Humans ,Cell Differentiation ,Chromatin ,Disease Susceptibility ,DNA Methylation ,Epigenesis ,Genetic ,Epigenomics ,Fetus ,Hippocampus ,Multiomics ,Neuroglia ,Neurons ,Prefrontal Cortex ,Schizophrenia ,Single Molecule Imaging ,Single-Cell Analysis ,Time Factors ,Infant ,Newborn ,General Science & Technology - Abstract
The human hippocampus and prefrontal cortex play critical roles in learning and cognition1,2, yet the dynamic molecular characteristics of their development remain enigmatic. Here we investigated the epigenomic and three-dimensional chromatin conformational reorganization during the development of the hippocampus and prefrontal cortex, using more than 53,000 joint single-nucleus profiles of chromatin conformation and DNA methylation generated by single-nucleus methyl-3C sequencing (snm3C-seq3)3. The remodelling of DNA methylation is temporally separated from chromatin conformation dynamics. Using single-cell profiling and multimodal single-molecule imaging approaches, we have found that short-range chromatin interactions are enriched in neurons, whereas long-range interactions are enriched in glial cells and non-brain tissues. We reconstructed the regulatory programs of cell-type development and differentiation, finding putatively causal common variants for schizophrenia strongly overlapping with chromatin loop-connected, cell-type-specific regulatory regions. Our data provide multimodal resources for studying gene regulatory dynamics in brain development and demonstrate that single-cell three-dimensional multi-omics is a powerful approach for dissecting neuropsychiatric risk loci.
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- 2024
45. Macrophage LRRK2 hyperactivity impairs autophagy and induces Paneth cell dysfunction.
- Author
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Sun, Shengxiang, Hodel, Miki, Wang, Xiang, De Vicente, Javier, Haritunians, Talin, Debebe, Anketse, Hung, Chen-Ting, Ma, Changqing, Malique, Atika, Nguyen, Hoang, Agam, Maayan, Maloney, Michael, Goo, Marisa, Kluss, Jillian, Mishra, Richa, Frein, Jennifer, Foster, Amanda, Ballentine, Samuel, Pandey, Uday, Kern, Justin, Yang, Shaohong, Mengesha, Emebet, Balasubramanian, Iyshwarya, Arguello, Annie, Estrada, Anthony, Gao, Nan, Peter, Inga, McGovern, Dermot, Henry, Anastasia, Stappenbeck, Thaddeus, and Liu, Ta-Chiang
- Subjects
Leucine-Rich Repeat Serine-Threonine Protein Kinase-2 ,Paneth Cells ,Animals ,Autophagy ,Mice ,Crohn Disease ,Humans ,Macrophages ,Mice ,Inbred C57BL ,Male ,Female ,Mice ,Knockout - Abstract
LRRK2 polymorphisms (G2019S/N2081D) that increase susceptibility to Parkinsons disease and Crohns disease (CD) lead to LRRK2 kinase hyperactivity and suppress autophagy. This connection suggests that LRRK2 kinase inhibition, a therapeutic strategy being explored for Parkinsons disease, may also benefit patients with CD. Paneth cell homeostasis is tightly regulated by autophagy, and their dysfunction is a precursor to gut inflammation in CD. Here, we found that patients with CD and mice carrying hyperactive LRRK2 polymorphisms developed Paneth cell dysfunction. We also found that LRRK2 kinase can be activated in the context of interactions between genes (genetic autophagy deficiency) and the environment (cigarette smoking). Unexpectedly, lamina propria immune cells were the main intestinal cell types that express LRRK2, instead of Paneth cells as previously suggested. We showed that LRRK2-mediated pro-inflammatory cytokine release from phagocytes impaired Paneth cell function, which was rescued by LRRK2 kinase inhibition through activation of autophagy. Together, these data suggest that LRRK2 kinase inhibitors maintain Paneth cell homeostasis by restoring autophagy and may represent a therapeutic strategy for CD.
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- 2024
46. Impaired kidney function, cerebral small vessel disease and cognitive disorders: the Framingham Heart Study
- Author
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Kelly, Dearbhla M, Pinheiro, Adlin A, Koini, Marisa, Anderson, Christopher D, Aparicio, Hugo, Hofer, Edith, Kern, Daniela, Blacker, Deborah, DeCarli, Charles, Hwang, Shih-Jen, Viswanathan, Anand, Gonzales, Mitzi M, Beiser, Alexa S, Seshadri, Sudha, Schmidt, Reinhold, Demissie, Serkalem, and Romero, Jose R
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Biomedical and Clinical Sciences ,Clinical Sciences ,Alzheimer's Disease including Alzheimer's Disease Related Dementias (AD/ADRD) ,Minority Health ,Clinical Research ,Acquired Cognitive Impairment ,Kidney Disease ,Neurosciences ,Aging ,Dementia ,Cerebrovascular ,Brain Disorders ,Vascular Cognitive Impairment/Dementia ,Hypertension ,Alzheimer's Disease ,Alzheimer's Disease Related Dementias (ADRD) ,Neurodegenerative ,Neurological ,Renal and urogenital ,Humans ,Female ,Male ,Cerebral Small Vessel Diseases ,Aged ,Renal Insufficiency ,Chronic ,Glomerular Filtration Rate ,Cognitive Dysfunction ,Middle Aged ,Albuminuria ,Risk Factors ,Magnetic Resonance Imaging ,Cohort Studies ,Prognosis ,Follow-Up Studies ,Cognition Disorders ,albuminuria ,cerebral small vessel disease ,CKD ,cognitive impairment ,dementia ,hypertension ,Urology & Nephrology ,Clinical sciences - Abstract
Background and hypothesisIt remains unclear whether the relation of chronic kidney disease (CKD) with cognitive dysfunction is independent of blood pressure (BP). We evaluated kidney function in relation to premorbid BP measurements, cerebral small vessel disease (CSVD), and incident mild cognitive impairment (MCI) and dementia in Framingham Offspring Cohort participants.MethodsWe included Framingham Offspring participants free of dementia, attending an examination during midlife (exam cycle 6, baseline) for ascertainment of kidney function status, with brain magnetic resonance imaging late in life (exam cycles 7-9), cognitive outcome data, and available interim hypertension and BP assessments. We related CKD (estimated glomerular filtration rate
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- 2024
47. CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.
- Author
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Hwang, Wonmuk, Austin, Steven, Blondel, Arnaud, Boittier, Eric, Boresch, Stefan, Buck, Matthias, Buckner, Joshua, Caflisch, Amedeo, Chang, Hao-Ting, Cheng, Xi, Choi, Yeol, Chu, Jhih-Wei, Crowley, Michael, Cui, Qiang, Damjanovic, Ana, Deng, Yuqing, Devereux, Mike, Ding, Xinqiang, Feig, Michael, Gao, Jiali, Glowacki, David, Gonzales, James, Hamaneh, Mehdi, Harder, Edward, Hayes, Ryan, Huang, Jing, Huang, Yandong, Hudson, Phillip, Im, Wonpil, Islam, Shahidul, Jiang, Wei, Jones, Michael, Käser, Silvan, Kearns, Fiona, Kern, Nathan, Klauda, Jeffery, Lazaridis, Themis, Lee, Jinhyuk, Lemkul, Justin, Liu, Xiaorong, Luo, Yun, MacKerell, Alexander, Major, Dan, Meuwly, Markus, Nam, Kwangho, Nilsson, Lennart, Ovchinnikov, Victor, Paci, Emanuele, Park, Soohyung, Pastor, Richard, Pittman, Amanda, Post, Carol, Prasad, Samarjeet, Pu, Jingzhi, Qi, Yifei, Rathinavelan, Thenmalarchelvi, Roe, Daniel, Roux, Benoit, Rowley, Christopher, Shen, Jana, Simmonett, Andrew, Sodt, Alexander, Töpfer, Kai, Upadhyay, Meenu, van der Vaart, Arjan, Vazquez-Salazar, Luis, Venable, Richard, Warrensford, Luke, Woodcock, H, Wu, Yujin, Brooks, Charles, Brooks, Bernard, and Karplus, Martin
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Quantum Theory ,Molecular Dynamics Simulation ,Software - Abstract
Since its inception nearly a half century ago, CHARMM has been playing a central role in computational biochemistry and biophysics. Commensurate with the developments in experimental research and advances in computer hardware, the range of methods and applicability of CHARMM have also grown. This review summarizes major developments that occurred after 2009 when the last review of CHARMM was published. They include the following: new faster simulation engines, accessible user interfaces for convenient workflows, and a vast array of simulation and analysis methods that encompass quantum mechanical, atomistic, and coarse-grained levels, as well as extensive coverage of force fields. In addition to providing the current snapshot of the CHARMM development, this review may serve as a starting point for exploring relevant theories and computational methods for tackling contemporary and emerging problems in biomolecular systems. CHARMM is freely available for academic and nonprofit research at https://academiccharmm.org/program.
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- 2024
48. Lighting the way: Compelling open questions in photosynthesis research.
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Eckardt, Nancy, Allahverdiyeva, Yagut, Alvarez, Clarisa, Büchel, Claudia, Burlacot, Adrien, Cardona, Tanai, Chaloner, Emma, Engel, Benjamin, Grossman, Arthur, Harris, Dvir, Herrmann, Nicolas, Hodges, Michael, Kern, Jan, Kim, Tom, Maurino, Veronica, Mullineaux, Conrad, Mustila, Henna, Nikkanen, Lauri, Schlau-Cohen, Gabriela, Tronconi, Marcos, Wietrzynski, Wojciech, Yachandra, Vittal, and Yano, Junko
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Photosynthesis ,Light ,Plants - Abstract
Photosynthesis-the conversion of energy from sunlight into chemical energy-is essential for life on Earth. Yet there is much we do not understand about photosynthetic energy conversion on a fundamental level: how it evolved and the extent of its diversity, its dynamics, and all the components and connections involved in its regulation. In this commentary, researchers working on fundamental aspects of photosynthesis including the light-dependent reactions, photorespiration, and C4 photosynthetic metabolism pose and discuss what they view as the most compelling open questions in their areas of research.
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- 2024
49. Implementing a Lead [Apron]-Free Cardiac Catheterization: Current Status.
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Patel, Akash, Patel, Vishal, Tang, Yicheng, Shah, Sai, Tang, George, and Kern, Morton
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Cardiac Catheterization ,Lead-Free ,Radiation Safety ,Humans ,Cardiac Catheterization ,Occupational Exposure ,Radiation Exposure ,Radiation Protection ,Personal Protective Equipment ,Protective Clothing - Abstract
PURPOSE OF REVIEW: In this review, we discuss the status of novel radiation shielding and other methods to reduce radiation exposure and its associated health risks within the CCL. RECENT FINDINGS: There are many devices on the market each with its unique advantages and inherent flaws. Several are available for widespread use with promising data, while others still in development. The field of percutaneous transcatheter interventions includes complex procedures often involving significant radiation exposure. Increased radiation exposes the proceduralist and CCL staff to potential harm from both direct effects of radiation but also from the ergonomic consequences of daily use of heavy personal protective equipment. Here we discuss several innovative efforts to reduce both radiation exposure and orthopedic injury within the CCL that are available, leading to a safer daily routine in a lead [apron]-free environment.
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- 2024
50. Josephson Traveling Wave Parametric Amplifiers with Plasma oscillation phase-matching
- Author
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Rizvanov, Emil, Kern, Samuel, Neilinger, Pavol, and Grajcar, Miroslav
- Subjects
Condensed Matter - Superconductivity ,Quantum Physics - Abstract
High gain and large bandwidth of traveling-wave parametric amplifier exploiting the nonlinearity of Josephson Junctions can be achieved by fulfilling the so-called phase-matching condition. This condition is usually addressed by placing resonant structures along the waveguide or by periodic modulations of its parameters, creating gaps in the waveguide's dispersion. Here, we propose to employ the Josephson junctions, which constitute the centerline of the amplifier, as resonant elements for phase matching. By numerical simulations in JoSIM (and WRspice) software, we show that Josephson plasma oscillations can be utilized to create wavevector mismatch sufficient for phase matching as well as to prevent the conversion of the pump energy to higher harmonics. The proposed TWPA design has a gain of 15 dB and a 3.5 GHz bandwidth, which is comparable to the state-of-the-art TWPAs.
- Published
- 2024
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