R Ferreira da Silva

Renan Souza, Daniel Rosendo, Kelsey Carter et al.

High-throughput plant phenotyping now generates image derived datasets far faster than scientists can analyze them. At Oak Ridge National Laboratory's Advanced Plant Phenotyping Laboratory (APPL), automated stations image hundreds of plants daily across multiple remote sensing modalities; yet, trait extraction and interpretation remain manual, expert-bound, and strictly post-hoc, making analysis, not acquisition, the binding constraint on discovery. We present an end-to-end agentic AI framework that turns the facility from a data factory into an interactive autonomous, discovery platform, where scientists partner with AI agents to accelerate time to insight. A conversational Co-Scientist Agent translates a scientist's natural-language question into a structured analysis plan, and a headless Compute Agent dispatches Vision Transformer segmentation and trait extraction on the Frontier exascale supercomputer. The two agents run in separate security and resource domains and communicate over a secure, token-authenticated streaming channel, a design that accounts for the federation, data-movement, and provenance realities cloud-native agentic frameworks ignore, ensuring end-to-end provenance is captured for every interaction. The framework turns a days- to weeks-long analysis process into an interactive loop where agents reason over results, recommend next analyses, and respond to follow-up questions in seconds.

Andreas Koukorinis, Ricardo Silva

We propose doubly robust adaptive conformal inference (DR-ACI), which constructs prediction intervals for doubly robust pseudo-outcomes under temporal dependence.

Gesiel R. Lopes, Roberto F. da Silva, Mellina Yamamura et al.

The integration of multiple thematic data layers into a single composite map, known as the cartographic synthesis problem, is typically addressed through expert-driven weighting schemes. This study presents a multi-objective formulation of cartographic synthesis grounded in spatial autocorrelation structure. We develop a bi-objective evolutionary framework, GIS-moGA, that estimates layer weights by simultaneously maximizing global spatial structure, measured by Global Moran's I, and minimizing local spatial heterogeneity, measured by the variance of Local Indicators of Spatial Association (LISA). Because naive evaluation of spatial relationships requires O(N^2) operations, direct computation becomes impractical for larger datasets. We address this challenge by exploiting the 97.7% sparsity of queen contiguity matrices, reducing effective complexity to O(N k) and enabling scalable municipal-level analysis. The framework is evaluated on a high-dimensional spatial epidemiology dataset with N = 523 units from Araraquara, Brazil. A 64-scenario experimental design is used to examine evolutionary behavior across parameter settings. Results show that higher mutation rates are important for maintaining population diversity and preventing premature convergence in spatially autocorrelated fitness landscapes, where crossover operators can disrupt geographically coherent structures. Compared with expert-derived Analytic Hierarchy Process baselines, the resulting Pareto fronts show substantial hypervolume gains and significant improvements in spatial coherence (p < 0.001, Cliff's delta = 0.87). These findings provide a systematic and scalable framework for data-driven geographic multi-criteria decision analysis.

Woong Shin, Craig A. Bridges, Marshall T. McDonnell et al.

As scientific workflows shift from deterministic executables to LLM-based agents, the development practices on offer, such as fine-tuning, reinforcement learning, and prompt-and-go, bury the scientist's judgment. We propose treating agent construction as a workflow stage and introduce AgentBuild, which builds a scientific agent from a contract the scientist authors. The contract is a version-controlled rubric, a difficulty-graded curriculum, and a curated external knowledge base. A rubric-driven judge gates a meta-optimizer coding agent that edits the agent within a declared boundary, so the build compiles the agent, not the scientist's judgment. We instantiate this for Rietveld refinement of X-ray diffraction data through GSAS-II behind MCP and A2A, where a blank-harness construction run progresses through a lithium lanthanum zirconium oxide (LLZO) signal-to-noise ladder, reaches the 4 hour scan as a frontier case, and exposes the workflow-scope limits that remain. The same rubric that rewards credible fits also scores trajectory scope, making the frontier a contract failure rather than a pattern-fitting failure. As base models evolve, re-running AgentBuild is a re-tune, not a rebuild, and the scientist's authored contract remains the durable asset.