A Response Theory Probe for Learned Stochastic AI Simulators, Tested on Lorenz-63

Many scientific systems exhibit uncertainty from stochastic forcing, unresolved degrees of freedom, or imperfect observations, making reliable surrogate forecasting fundamentally distributional rather than pointwise. For such systems, deterministic neural surrogates fail to capture statistical measures and forecast uncertainty. We introduce TRIE, an evaluation framework for stochastic PDE surrogates that asks whether models reproduce invariant measures, provide trustworthy predictive uncertainty, and scale to efficient probabilistic generation. We demonstrate TRIE on two stationary chaotic spatially extended SPDEs, stochastic Kuramoto--Sivashinsky and stochastic Kolmogorov flow, across 11 parameter values. Our evaluation shows that standard pointwise-trained neural surrogates can produce plausible short rollouts while failing to match long-time statistical structure. Approximate uncertainty methods such as Monte Carlo dropout and heteroscedastic Gaussian likelihoods produce stochastic forecasts, but are often miscalibrated and overconfident under temporal and spatial uncertainty diagnostics. Across these criteria, generative models provide the most consistent performance, accurately capturing invariant measure statistics and achieving the lowest CRPS in all reported probabilistic settings. Finally, we show that latent generative models with automatic dimension discovery retain much of this statistical fidelity while reducing Kolmogorov inference time by roughly $12\times$. We release our code and data at https://github.com/scailab/TRIE-SPDE-Bench to support reproducible evaluation of stochastic PDE forecasting models.

Chaos arises in many complex dynamical systems, from weather to power grids, but is difficult to accurately model with data-driven methods such as machine learning emulators. While emulators are promising tools for accelerating simulations and solving inverse problems, they still struggle to learn chaotic dynamics, where sensitivity to initial conditions renders exact long-term forecasts infeasible, especially given noisy data. Recent work instead trains emulators to match the statistical properties of chaotic attractors, but these approaches often rely on handcrafted summary statistics or large, diverse multi-environment datasets. In this work, we propose a family of adversarial optimal transport objectives that can jointly learn high-quality summary statistics and a physically consistent emulator from a single noisy trajectory. We theoretically analyze and experimentally validate a Sinkhorn divergence formulation (2-Wasserstein) and a WGAN-style dual formulation (1-Wasserstein) of our approach. Numerical experiments across a variety of chaotic systems, including ones with high-dimensional spatiotemporal chaos, show that emulators trained using our proposed objectives have significantly improved long-term statistical fidelity.

Large language models (LLMs) can fluently generate student-like responses, making them attractive as simulated students for training and evaluating AI tutors and human educators. Yet such simulators are typically evaluated by output similarity to real students, not by whether they behave like students with coherent misconceptions during interaction. We introduce a controlled framework for evaluating misconception faithfulness, whether a simulator maintains a misconception-driven belief state and updates selectively when feedback addresses the underlying misconception. Central to our framework is a misconception-contrastive feedback protocol that compares targeted feedback against two controls: misaligned feedback (targeting a different but plausible misconception) and generic feedback (only identifying answer is wrong). We propose Selective Flip Score (SFS), which quantifies how much more often a simulator flips its answer under targeted feedback than under contrastive controls. Across seven LLMs (4B-120B), multiple datasets, and prompting strategies, simulators exhibit near-zero SFS, correcting their answers at similarly high rates regardless of feedback relevance. Further analyses reveal a sycophantic failure mode: models behave less like students with misconceptions but more like problem-solvers who treat any corrective signal as a cue to abandon the simulated belief and re-solve from internal knowledge. To address this, we develop a post-training pipeline spanning supervised fine-tuning (SFT), preference optimization, and reinforcement learning (RL) with an SFS-aligned reward; SFT yields notable gains up to +0.56, and SFS-aligned RL provides more consistent improvements than preference optimization. Our results establish misconception faithfulness as a challenging yet trainable property, motivating a shift from static output matching toward interactive, belief-aware student modeling.