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CRYSIM: Prediction of Symmetric Structures of Large Crystals with GPU-based Ising Machines

Liang, Chen, Das, Diptesh, Guo, Jiang, Tamura, Ryo, Mao, Zetian, Tsuda, Koji

arXiv.org Artificial Intelligence

Solving black-box optimization problems with Ising machines is increasingly common in materials science. However, their application to crystal structure prediction (CSP) is still ineffective due to symmetry agnostic encoding of atomic coordinates. We introduce CRYSIM, an algorithm that encodes the space group, the Wyckoff positions combination, and coordinates of independent atomic sites as separate variables. This encoding reduces the search space substantially by exploiting the symmetry in space groups. When CRYSIM is interfaced to Fixstars Amplify, a GPU-based Ising machine, its prediction performance was competitive with CALYPSO and Bayesian optimization for crystals containing more than 150 atoms in a unit cell. Although it is not realistic to interface CRYSIM to current small-scale quantum devices, it has the potential to become the standard CSP algorithm in the coming quantum age.


Advancing Generative AI for Portuguese with Open Decoder Gerv\'asio PT*

Santos, Rodrigo, Silva, João, Gomes, Luís, Rodrigues, João, Branco, António

arXiv.org Artificial Intelligence

To advance the neural decoding of Portuguese, in this paper we present a fully open Transformer-based, instruction-tuned decoder model that sets a new state of the art in this respect. To develop this decoder, which we named Gerv\'asio PT*, a strong LLaMA~2 7B model was used as a starting point, and its further improvement through additional training was done over language resources that include new instruction data sets of Portuguese prepared for this purpose, which are also contributed in this paper. All versions of Gerv\'asio are open source and distributed for free under an open license, including for either research or commercial usage, and can be run on consumer-grade hardware, thus seeking to contribute to the advancement of research and innovation in language technology for Portuguese.


SIO: Synthetic In-Distribution Data Benefits Out-of-Distribution Detection

Zhang, Jingyang, Inkawhich, Nathan, Linderman, Randolph, Luley, Ryan, Chen, Yiran, Li, Hai

arXiv.org Artificial Intelligence

Building up reliable Out-of-Distribution (OOD) detectors is challenging, often requiring the use of OOD data during training. In this work, we develop a data-driven approach which is distinct and complementary to existing works: Instead of using external OOD data, we fully exploit the internal in-distribution (ID) training set by utilizing generative models to produce additional synthetic ID images. The classifier is then trained using a novel objective that computes weighted loss on real and synthetic ID samples together. Our training framework, which is termed SIO, serves as a "plug-and-play" technique that is designed to be compatible with existing and future OOD detection algorithms, including the ones that leverage available OOD training data. Our experiments on CIFAR-10, CIFAR-100, and ImageNet variants demonstrate that SIO consistently improves the performance of nearly all state-of-the-art (SOTA) OOD detection algorithms. For instance, on the challenging CIFAR-10 v.s. CIFAR-100 detection problem, SIO improves the average OOD detection AUROC of 18 existing methods from 86.25\% to 89.04\% and achieves a new SOTA of 92.94\% according to the OpenOOD benchmark. Code is available at https://github.com/zjysteven/SIO.


Reporter's Notebook: Italian support for Ukraine on the wane according to recent poll

FOX News

Paolucci co-authored "Oligarchi" or "Oligarchs" in English and "How Putin's Friends are Buying Italy." You will meet people in Italy who are actually pro-Russia. Or at least ready to lay some blame on the United States and/or NATO for provoking Vladimir Putin to attack Ukraine, as if somehow absolving the Russian president. Largely, however, such positions are expressed privately. So when former four-time Prime Minister Silvio Berlusconi, with cameras rolling before him, described his "very, very, very negative view" of Ukrainian President Volodymyr Zelenskyy over the weekend, he set off a firestorm on this side of the Atlantic.


EBOCA: Evidences for BiOmedical Concepts Association Ontology

Pérez, Andrea Álvarez, Iglesias-Molina, Ana, Santamaría, Lucía Prieto, Poveda-Villalón, María, Badenes-Olmedo, Carlos, Rodríguez-González, Alejandro

arXiv.org Artificial Intelligence

There is a large number of online documents data sources available nowadays. The lack of structure and the differences between formats are the main difficulties to automatically extract information from them, which also has a negative impact on its use and reuse. In the biomedical domain, the DISNET platform emerged to provide researchers with a resource to obtain information in the scope of human disease networks by means of large-scale heterogeneous sources. Specifically in this domain, it is critical to offer not only the information extracted from different sources, but also the evidence that supports it. This paper proposes EBOCA, an ontology that describes (i) biomedical domain concepts and associations between them, and (ii) evidences supporting these associations; with the objective of providing an schema to improve the publication and description of evidences and biomedical associations in this domain. The ontology has been successfully evaluated to ensure there are no errors, modelling pitfalls and that it meets the previously defined functional requirements. Test data coming from a subset of DISNET and automatic association extractions from texts has been transformed according to the proposed ontology to create a Knowledge Graph that can be used in real scenarios, and which has also been used for the evaluation of the presented ontology.


Working out the mystery of ectasia risk with artificial intelligence

#artificialintelligence

This article was reviewed by Renato Ambrósio, Jr, MD, PhD Ectasia is an intriguing and mysterious complication of laser-vision-correction (LVC) procedures. The potentially devastating problem underscores the importance of determining the susceptibility of the cornea for developing progressive ectasia, and of going beyond detecting just mild or subclinical keratoconus. The corneal structure as well as the potential impact of LVC should be considered to predict ectasia risk in every patient. "The LVC procedure and eye rubbing are the primary environmental culprits in the development of ectasia in any cornea," said Renato Ambrósio, Jr, MD, PhD. "So, a basic factor for avoiding ectasia is educating the patient not to rub the eye."


Making Study Populations Visible through Knowledge Graphs

Chari, Shruthi, Qi, Miao, Agu, Nkcheniyere N., Seneviratne, Oshani, McCusker, James P., Bennett, Kristin P., Das, Amar K., McGuinness, Deborah L.

arXiv.org Machine Learning

Treatment recommendations within Clinical Practice Guidelines (CPGs) are largely based on findings from clinical trials and case studies, referred to here as research studies, that are often based on highly selective clinical populations, referred to here as study cohorts. When medical practitioners apply CPG recommendations, they need to understand how well their patient population matches the characteristics of those in the study cohort, and thus are confronted with the challenges of locating the study cohort information and making an analytic comparison. To address these challenges, we develop an ontology-enabled prototype system, which exposes the population descriptions in research studies in a declarative manner, with the ultimate goal of allowing medical practitioners to better understand the applicability and generalizability of treatment recommendations. We build a Study Cohort Ontology (SCO) to encode the vocabulary of study population descriptions, that are often reported in the first table in the published work, thus they are often referred to as Table 1. We leverage the well-used Semanticscience Integrated Ontology (SIO) for defining property associations between classes. Further, we model the key components of Table 1s, i.e., collections of study subjects, subject characteristics, and statistical measures in RDF knowledge graphs. We design scenarios for medical practitioners to perform population analysis, and generate cohort similarity visualizations to determine the applicability of a study population to the clinical population of interest. Our semantic approach to make study populations visible, by standardized representations of Table 1s, allows users to quickly derive clinically relevant inferences about study populations.


SIOS Technology Opens R&D Facility at University of South Carolina to Advance Artificial Intelligence and Application Availability Technologies through Collaboration with Faculty and Students - SIOS

#artificialintelligence

SAN MATEO, CA and COLUMBIA, SC – June 21, 2018 – SIOS Technology Corp., the industry pioneer in the application of artificial intelligence (AI) to help enterprises lower costs and ensure resilience of their critical information technology infrastructures, today announced the opening of the SIOS R&D facility at the M. Bert Storey Engineering and Innovation Center at the University of South Carolina's College of Engineering and Computing in Columbia. The new facility will serve as the SIOS R&D center for product development and is strategically located at the University for the purpose of advancing collaborative research in AI and machine learning through collaboration with students and faculty. With the new R&D facility located on-campus, students will have an opportunity to work with the latest AI technologies on projects addressing real-world problems alongside senior research engineers at SIOS. In turn, SIOS has the unique opportunity to participate deeply in a vibrant and rich academic community, tapping into academic programs, intern programs, Capstone projects, and helping to design meaningful research projects. To support the fostering of leading-edge research in AI, SIOS has also awarded the University a $475,000 grant for the use of its SIOS iQ software.