Eleonore Vissol-Gaudin

Xiaoli Chen, Beatrice W. Soh, Zi-En Ooi et al.

One of the most exciting applications of artificial intelligence (AI) is automated scientific discovery based on previously amassed data, coupled with restrictions provided by known physical principles, including symmetries and conservation laws. Such automated hypothesis creation and verification can assist scientists in studying complex phenomena, where traditional physical intuition may fail. Here we develop a platform based on a generalized Onsager principle to learn macroscopic dynamical descriptions of arbitrary stochastic dissipative systems directly from observations of their microscopic trajectories. Our method simultaneously constructs reduced thermodynamic coordinates and interprets the dynamics on these coordinates. We demonstrate its effectiveness by studying theoretically and validating experimentally the stretching of long polymer chains in an externally applied field. Specifically, we learn three interpretable thermodynamic coordinates and build a dynamical landscape of polymer stretching, including the identification of stable and transition states and the control of the stretching rate. Our general methodology can be used to address a wide range of scientific and technological applications.

Inderjeet Singh, Eleonore Vissol-Gaudin, Andikan Otung et al.

Fine-tuning Large Language Models (LLMs) for specialized domains is constrained by a fundamental challenge: the need for diverse, cross-organizational data conflicts with the principles of data privacy and sovereignty. While Federated Learning (FL) provides a framework for collaboration without raw data exchange, its classic centralized form introduces a single point of failure and remains vulnerable to model inversion attacks. Decentralized FL (DFL) mitigates this risk by removing the central aggregator but typically relies on inefficient, random peer-to-peer (P2P) pairings, forming a collaboration graph that is blind to agent heterogeneity and risks negative transfer. This paper introduces KNEXA-FL, a novel framework for orchestrated decentralization that resolves this trade-off. KNEXA-FL employs a non-aggregating Central Profiler/Matchmaker (CPM) that formulates P2P collaboration as a contextual bandit problem, using a LinUCB algorithm on abstract agent profiles to learn an optimal matchmaking policy. It orchestrates direct knowledge exchange between heterogeneous, PEFT-based LLM agents via secure distillation, without ever accessing the models themselves. Our comprehensive experiments on a challenging code generation task show that KNEXA-FL yields substantial gains, improving Pass@1 by approx. 50% relative to random P2P collaboration. Critically, our orchestrated approach demonstrates stable convergence, in stark contrast to a powerful centralized distillation baseline which suffers from catastrophic performance collapse. Our work establishes adaptive, learning-based orchestration as a foundational principle for building robust and effective decentralized AI ecosystems.