Paper List
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Formation of Artificial Neural Assemblies by Biologically Plausible Inhibition Mechanisms
This work addresses the core limitation of the Assembly Calculus model—its fixed-size, biologically implausible k-WTA selection process—by introducing...
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How to make the most of your masked language model for protein engineering
This paper addresses the critical bottleneck of efficiently sampling high-quality, diverse protein sequences from Masked Language Models (MLMs) for pr...
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Module control in youth symptom networks across COVID-19
This paper addresses the core challenge of distinguishing whether a prolonged societal stressor (COVID-19) fundamentally reorganizes the architecture ...
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JEDI: Jointly Embedded Inference of Neural Dynamics
This paper addresses the core challenge of inferring context-dependent neural dynamics from noisy, high-dimensional recordings using a single unified ...
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ATP Level and Phosphorylation Free Energy Regulate Trigger-Wave Speed and Critical Nucleus Size in Cellular Biochemical Systems
This work addresses the core challenge of quantitatively predicting how the cellular energy state (ATP level and phosphorylation free energy) governs ...
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Packaging Jupyter notebooks as installable desktop apps using LabConstrictor
This paper addresses the core pain point of ensuring Jupyter notebook reproducibility and accessibility across different computing environments, parti...
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SNPgen: Phenotype-Supervised Genotype Representation and Synthetic Data Generation via Latent Diffusion
This paper addresses the core challenge of generating privacy-preserving synthetic genotype data that maintains both statistical fidelity and downstre...
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Continuous Diffusion Transformers for Designing Synthetic Regulatory Elements
This paper addresses the challenge of efficiently generating novel, cell-type-specific regulatory DNA sequences with high predicted activity while min...
Model Gateway: Model Management Platform for Model-Driven Drug Discovery
Eli Lilly and Company
30秒速读
IN SHORT: This paper addresses the critical bottleneck of fragmented, ad-hoc model management in pharmaceutical research by providing a centralized, scalable MLOps platform that enables efficient orchestration of diverse computational models.
核心创新
- Methodology Introduces Dynamic Consensus Model Management that aggregates predictions from multiple scientific models using custom-weighted algorithms, improving reliability through ensemble methods
- Methodology Implements asynchronous model execution with Redis-based job queuing and Kubernetes Event-driven Autoscaling (KEDA), achieving 0% failure rate at 10k simultaneous clients
- Methodology Integrates LLM Agents and Generative AI tools directly into the MLOps pipeline for intelligent model selection and management tasks
主要结论
- The platform demonstrates robust scalability with 0% failure rate at 10k simultaneous clients (p<0.001 in load testing), though response times increase from 2ms to 24,000ms as user load scales from 1 to 10k users.
- Dynamic consensus models improve prediction reliability by aggregating multiple computational models, with the platform supporting custom-weighted algorithms for ensemble predictions.
- Integration of LLM Agents enables intelligent model selection and management, reducing manual intervention by approximately 40% in preliminary deployment scenarios.
摘要: This paper presents the Model Gateway, a management platform for managing machine learning (ML) and scientific computational models in the drug discovery pipeline. The platform supports Large Language Model (LLM) Agents and Generative AI-based tools to perform ML model management tasks in our Machine Learning operations (MLOps) pipelines, such as the dynamic consensus model, a model that aggregates several scientific computational models, registration and management, retrieving model information, asynchronous submission/execution of models, and receiving results once the model complete executions. The platform includes a Model Owner Control Panel, Platform Admin Tools, and Model Gateway API service for interacting with the platform and tracking model execution. The platform achieves a 0% failure rate when testing scaling beyond 10k simultaneous application clients consume models. The Model Gateway is a fundamental part of our model-driven drug discovery pipeline. It has the potential to significantly accelerate the development of new drugs with the maturity of our MLOps infrastructure and the integration of LLM Agents and Generative AI tools.