arXiv subjects

Prasad Iyer

Publications and source records attributed to Prasad Iyer.

3 recordsLinked to original sources

arXiv2026

Materials Behavior as Mechanism Ensembles: A Probabilistic Framework for Emergent Behaviors

Materials behavior is often treated as a deterministic mapping from structure to properties, yet many important phenomena emerge from the conditional activation of multiple mechanisms across scales. This is especially evident in fatigue of metals, where crack growth is typically modeled as monotonic and irreversible process, despite evidence that local microstructure, loading history, and competing unit processes can shift the balance among propagation, arrest, and self-healing. Here we present a probabilistic framework that describes materials behavior as an ensemble of constituent mechanisms whose activation, interaction, and evolution determine emergent outcomes. The framework connects mechanism activation, state evolution, and macroscopic observables in a probabilistic way. In the case of fatigue crack propagation, it reframes damage tolerance as an inference problem over mechanism competition and provides a basis for integrating multiscale simulation, multimodal characterization, and machine learning. The same logic extends to other physical and chemical systems suggesting a portable framework for any system in which emergent behavior reflects mechanism competition under changing conditions. The broader ambition of this perspective review is a shift from correlating structure and performance after the fact to identifying, in advance, the conditions that make desired emergent behavior probable.

cond-mat.mtrl-sci↗

arXiv2026

LLM-AutoSciLab: Closed-Loop Scientific Discovery via Active Experimentation with LLMs

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish or refine them, and updates its state using the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench, comprising two datasets: ActiveSciBench-Chem with 57 enzyme-kinetics tasks and ActiveSciBench-GRN with 45 gene-regulatory-network tasks. These datasets model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy on NewtonBench and ActiveSciBench-Chem, respectively, and 31.1% exact graph recovery on ActiveSciBench-GRN. Moreover, hypothesis-guided experimentation is 2-5x more sample-efficient than the strongest competing baselines. Code and data are available at: https://github.com/scientific-discovery/LLM-AutoSciLab

cs.LG↗

arXiv2026

Boltzmann Reinforcement Learning for Noise resilience in Analog Ising Machines

Analog Ising machines (AIMs) have emerged as a promising paradigm for combinatorial optimization, utilizing physical dynamics to solve Ising problems with high energy efficiency. However, the performance of traditional optimization and sampling algorithms on these platforms is often limited by inherent measurement noise. We introduce BRAIN (Boltzmann Reinforcement for Analog Ising Networks), a distribution learning framework that utilizes variational reinforcement learning to approximate the Boltzmann distribution. By shifting from state-by-state sampling to aggregating information across multiple noisy measurements, BRAIN is resilient to Gaussian noise characteristic of AIMs. We evaluate BRAIN across diverse combinatorial topologies, including the Curie-Weiss and 2D nearest-neighbor Ising systems. We find that under realistic 3\% Gaussian measurement noise, BRAIN maintains 98\% ground state fidelity, whereas Markov Chain Monte Carlo (MCMC) methods degrade to 51\% fidelity. Furthermore, BRAIN reaches the MCMC-equivalent solution up to 192x faster under these conditions. BRAIN exhibits $\mathcal{O}(N^{1.55})$ scaling up to 65,536 spins and maintains robustness against severe measurement uncertainty up to 40\%. Beyond ground state optimization, BRAIN accurately captures thermodynamic phase transitions and metastable states, providing a scalable and noise-resilient method for utilizing analog computing architectures in complex optimizations.

cs.LG↗