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Publications
Capture the Flag: Uncovering Data Insights with Large Language Models
The extraction of a small number of relevant insights from vast amounts of data is a crucial component of data-driven decision-making. Howev… (voir plus)er, accomplishing this task requires considerable technical skills, domain expertise, and human labor. This study explores the potential of using Large Language Models (LLMs) to automate the discovery of insights in data, leveraging recent advances in reasoning and code generation techniques. We propose a new evaluation methodology based on a"capture the flag"principle, measuring the ability of such models to recognize meaningful and pertinent information (flags) in a dataset. We further propose two proof-of-concept agents, with different inner workings, and compare their ability to capture such flags in a real-world sales dataset. While the work reported here is preliminary, our results are sufficiently interesting to mandate future exploration by the community.
Abstract Objectives Distributed computations facilitate multi-institutional data analysis while avoiding the costs and complexity of data po… (voir plus)oling. Existing approaches lack crucial features, such as built-in medical standards and terminologies, no-code data visualizations, explicit disclosure control mechanisms, and support for basic statistical computations, in addition to gradient-based optimization capabilities. Materials and methods We describe the development of the Collaborative Data Analysis (CODA) platform, and the design choices undertaken to address the key needs identified during our survey of stakeholders. We use a public dataset (MIMIC-IV) to demonstrate end-to-end multi-modal FL using CODA. We assessed the technical feasibility of deploying the CODA platform at 9 hospitals in Canada, describe implementation challenges, and evaluate its scalability on large patient populations. Results The CODA platform was designed, developed, and deployed between January 2020 and January 2023. Software code, documentation, and technical documents were released under an open-source license. Multi-modal federated averaging is illustrated using the MIMIC-IV and MIMIC-CXR datasets. To date, 8 out of the 9 participating sites have successfully deployed the platform, with a total enrolment of >1M patients. Mapping data from legacy systems to FHIR was the biggest barrier to implementation. Discussion and conclusion The CODA platform was developed and successfully deployed in a public healthcare setting in Canada, with heterogeneous information technology systems and capabilities. Ongoing efforts will use the platform to develop and prospectively validate models for risk assessment, proactive monitoring, and resource usage. Further work will also make tools available to facilitate migration from legacy formats to FHIR and DICOM.
Abstract Objectives Distributed computations facilitate multi-institutional data analysis while avoiding the costs and complexity of data po… (voir plus)oling. Existing approaches lack crucial features, such as built-in medical standards and terminologies, no-code data visualizations, explicit disclosure control mechanisms, and support for basic statistical computations, in addition to gradient-based optimization capabilities. Materials and methods We describe the development of the Collaborative Data Analysis (CODA) platform, and the design choices undertaken to address the key needs identified during our survey of stakeholders. We use a public dataset (MIMIC-IV) to demonstrate end-to-end multi-modal FL using CODA. We assessed the technical feasibility of deploying the CODA platform at 9 hospitals in Canada, describe implementation challenges, and evaluate its scalability on large patient populations. Results The CODA platform was designed, developed, and deployed between January 2020 and January 2023. Software code, documentation, and technical documents were released under an open-source license. Multi-modal federated averaging is illustrated using the MIMIC-IV and MIMIC-CXR datasets. To date, 8 out of the 9 participating sites have successfully deployed the platform, with a total enrolment of >1M patients. Mapping data from legacy systems to FHIR was the biggest barrier to implementation. Discussion and conclusion The CODA platform was developed and successfully deployed in a public healthcare setting in Canada, with heterogeneous information technology systems and capabilities. Ongoing efforts will use the platform to develop and prospectively validate models for risk assessment, proactive monitoring, and resource usage. Further work will also make tools available to facilitate migration from legacy formats to FHIR and DICOM.
Deep spectroscopic surveys with the Atacama Large Millimeter/submillimeter Array (ALMA) have revealed that some of the brightest infrared so… (voir plus)urces in the sky correspond to concentrations of submillimeter galaxies (SMGs) at high redshift. Among these, the SPT2349-56 protocluster system is amongst the most extreme examples given its high source density and integrated star formation rate. We conducted a deep Lyman-alpha line emission survey around SPT2349-56 using the Multi-Unit Spectroscopic Explorer (MUSE) at the Very Large Telescope (VLT) in order to characterize this uniquely dense environment. Taking advantage of the deep three-dimensional nature of this survey, we performed a sensitive search for Lyman-alpha emitters (LAEs) toward the core and northern extension of the protocluster, which correspond to the brightest infrared regions in this field. Using a smoothed narrowband image extracted from the MUSE datacube around the protocluster redshift, we searched for possible extended structures. We identify only three LAEs at
Survival models can help medical practitioners to evaluate the prognostic importance of clinical variables to patient outcomes such as morta… (voir plus)lity or hospital readmission and subsequently design personalized treatment regimes. Electronic Health Records (EHRs) hold the promise for large-scale survival analysis based on systematically recorded clinical features for each patient. However, existing survival models either do not scale to high dimensional and multi-modal EHR data or are difficult to interpret. In this study, we present a supervised topic model called MixEHR-SurG to simultaneously integrate heterogeneous EHR data and model survival hazard. Our contributions are three-folds: (1) integrating EHR topic inference with Cox proportional hazards likelihood; (2) integrating patient-specific topic hyperparameters using the PheCode concepts such that each topic can be identified with exactly one PheCode-associated phenotype; (3) multi-modal survival topic inference. This leads to a highly interpretable survival topic model that can infer PheCode-specific phenotype topics associated with patient mortality. We evaluated MixEHR-SurG using a simulated dataset and two real-world EHR datasets: the Quebec Congenital Heart Disease (CHD) data consisting of 8211 subjects with 75,187 outpatient claim records of 1767 unique ICD codes; the MIMIC-III consisting of 1458 subjects with multi-modal EHR records. Compared to the baselines, MixEHR-SurG achieved a superior dynamic AUROC for mortality prediction, with a mean AUROC score of 0.89 in the simulation dataset and a mean AUROC of 0.645 on the CHD dataset. Qualitatively, MixEHR-SurG associates severe cardiac conditions with high mortality risk among the CHD patients after the first heart failure hospitalization and critical brain injuries with increased mortality among the MIMIC-III patients after their ICU discharge. Together, the integration of the Cox proportional hazards model and EHR topic inference in MixEHR-SurG not only leads to competitive mortality prediction but also meaningful phenotype topics for in-depth survival analysis. The software is available at GitHub: https://github.com/li-lab-mcgill/MixEHR-SurG.
Widely considered a cornerstone of human morality, trust shapes many aspects of human social interactions. In this work, we present a theore… (voir plus)tical analysis of the
Background: We are witnessing an increasing adoption of machine learning (ML), especially deep learning (DL) algorithms in many software sys… (voir plus)tems, including safety-critical systems such as health care systems or autonomous driving vehicles. Ensuring the software quality of these systems is yet an open challenge for the research community, mainly due to the inductive nature of ML software systems. Traditionally, software systems were constructed deductively, by writing down the rules that govern the behavior of the system as program code. However, for ML software, these rules are inferred from training data. Few recent research advances in the quality assurance of ML systems have adapted different concepts from traditional software testing, such as mutation testing, to help improve the reliability of ML software systems. However, it is unclear if any of these proposed testing techniques from research are adopted in practice. There is little empirical evidence about the testing strategies of ML engineers. Aims: To fill this gap, we perform the first fine-grained empirical study on ML testing practices in the wild, to identify the ML properties being tested, the followed testing strategies, and their implementation throughout the ML workflow. Method: First, we systematically summarized the different testing strategies (e.g., Oracle Approximation), the tested ML properties (e.g., Correctness, Bias, and Fairness), and the testing methods (e.g., Unit test) from the literature. Then, we conducted a study to understand the practices of testing ML software. Results: In our findings: 1) we identified four (4) major categories of testing strategy including Grey-box, White-box, Black-box, and Heuristic-based techniques that are used by the ML engineers to find software bugs. 2) We identified 16 ML properties that are tested in the ML workflow.
Moiré superlattices have emerged as an exciting condensed-matter quantum simulator for exploring the exotic physics of strong electronic co… (voir plus)rrelations. Notable progress has been witnessed, but such correlated states are achievable usually at low temperatures. Here, we report evidence of possible room-temperature correlated electronic states and layer-hybridized SU(4) model simulator in AB-stacked MoS_{2} homobilayer moiré superlattices. Correlated insulating states at moiré band filling factors v=1, 2, 3 are unambiguously established in twisted bilayer MoS_{2}. Remarkably, the correlated electronic state at v=1 shows a giant correlated gap of ∼126 meV and may persist up to a record-high critical temperature over 285 K. The realization of a possible room-temperature correlated state with a large correlated gap in twisted bilayer MoS_{2} can be understood as the cooperation effects of the stacking-specific atomic reconstruction and the resonantly enhanced interlayer hybridization, which largely amplify the moiré superlattice effects on electronic correlations. Furthermore, extreme large nonlinear Hall responses up to room temperature are uncovered near correlated electronic states, demonstrating the quantum geometry of moiré flat conduction band.
There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize … (voir plus)the chemical structures of molecules but ignore the vast textual knowledge available in chemistry. Incorporating textual knowledge enables us to realize new drug design objectives, adapt to text-based instructions and predict complex biological activities. Here we present a multi-modal molecule structure-text model, MoleculeSTM, by jointly learning molecules' chemical structures and textual descriptions via a contrastive learning strategy. To train MoleculeSTM, we construct a large multi-modal dataset, namely, PubChemSTM, with over 280,000 chemical structure-text pairs. To demonstrate the effectiveness and utility of MoleculeSTM, we design two challenging zero-shot tasks based on text instructions, including structure-text retrieval and molecule editing. MoleculeSTM has two main properties: open vocabulary and compositionality via natural language. In experiments, MoleculeSTM obtains the state-of-the-art generalization ability to novel biochemical concepts across various benchmarks.