8 papers
My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents
César Ojeda, Darius A. Faroughy, Maryam Karimi +3
Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native e…
Neural Scaling Laws for Jet Generation
Oz Amram, Darius A. Faroughy, Tjarko Gerdes +5
Recently observed empirical scaling laws describe the performance of foundation-type models as three independent key quantities -- dataset size, compute, and model parameters -- ar…
Collider-Bench: Benchmarking AI Agents with Particle Physics Analysis Reproduction
Darius A. Faroughy, Sofia Palacios Schweitzer, Ian Pang +2
Autonomous language-model agents are increasingly evaluated on long-horizon tool-use tasks, but existing benchmarks rarely capture the complexity and nuance of real scientific work…
Prior-Fitted Functional Flow: In-Context Generative Models for Pharmacokinetics
César Ojeda, Niklas Hartung, Wilhelm Huisinga +6
We introduce Prior-Fitted Functional Flows, a generative foundation model for pharmacokinetics that enables zero-shot population synthesis and individual forecasting without manual…
Multimodal Generative Flows for LHC Jets
Darius A. Faroughy, Manfred Opper, Cesar Ojeda
Generative modeling of high-energy collisions at the Large Hadron Collider (LHC) offers a data-driven route to simulations, anomaly detection, among other applications. A central c…
SURFing to the Fundamental Limit of Jet Tagging
Ian Pang, Darius A. Faroughy, David Shih +2
Beyond the practical goal of improving search and measurement sensitivity through better jet tagging algorithms, there is a deeper question: what are their upper performance limits…