Inertial Confinement Fusion

Advancing language models for specialized scientific applications requires evaluations of scientific fluency, physical reasoning, and quantitative analyses. Using inertial confinement fusion (ICF) as a test case, we have developed an expert-curated benchmark of 250 questions spanning qualitative reasoning, numerical calculation, symbolic derivation, and equation formulation. Responses have been evaluated using deterministic numerical and symbolic checks together with language-model judges. We compared a variety of out-of-the-box closed-source and open-source large language models with Prospero, a model specialized through combined domain-adaptive pretraining and supervised fine-tuning for ICF. We also conducted initial retrieval-assisted evaluations. Prospero improved its aggregate score by 10.7 percentage points over its base model, with gains across all question types. Frontier models achieved the highest aggregate scores, but critical physics errors persisted, particularly in numerical calculations. We note that domain-specific performance can improve through specialization, but benchmark gains alone do not establish scientific reliability. Retrieval improved performance for a smaller model but yielded no statistically significant improvement for a frontier model. Two scientific stress tests further illustrate useful capabilities and the need for expert assessment of physical assumptions and model validity. Based on these findings, we recommend evaluating existing domain capabilities and retrieval benefits before committing to substantial additional specialization.

The achievement of practical fusion energy remains one of the most pressing unsolved scientific challenges, with immense implications for carbon-free power. A critical factor in the success of Inertial Confinement Fusion (ICF) is the design of a Laser Pulse Shape (LP) that can optimally drive implosions under stringent physical constraints. Traditional LP design relies on computationally expensive simulations and manual iterative refinement. We introduce the ICF Laser Pulse Shape Design System (LPDS), a generative inverse modeling framework that maps desired outcomes and target pellet configurations directly to optimized LPs. Crucially, we design a multi-objective loss function to ensure the generated LPs satisfy fundamental physical constraints and experimental requirements. Furthermore, we present constraint-conditioning, inpainting, and gradient-based LP editing mechanisms for fine-grained control over specific pulse characteristics during generation. Moreover, we study the transfer of our framework to a limited set of real experimental shots. Our method establishes a data-driven inverse design framework for LP design in ICF, contributing to the advancement of practical and sustainable fusion energy.

Uncertainty quantification is critical in scientific machine learning, where black-box, image-based models are increasingly deployed in high-stakes settings. In many such applications, model outputs inform costly decisions, yet most methods provide only point estimates without quantifying predictive uncertainty. This challenge is compounded by the limited accessibility and interpretability of model internals, making it difficult to assess reliability across different regions of the input space. As a result, there is a growing need for methods that can provide input-dependent uncertainty estimates to guide both model development and downstream experimentation. To address this need, we propose Adaptive Conformal Prediction using Nearest Neighbors (ACPNN), an input-adaptive conformal framework for image regression. ACPNN leverages information from neighboring samples to produce locally adaptive uncertainty estimates while maintaining low computational cost. The neighborhood structure is defined using a scaled distance metric learned via a Gaussian Process with an automatic relevance determination (ARD) kernel. We demonstrate the effectiveness of ACPNN on a diffusion model for emulating inertial confinement fusion (ICF) simulations, showing that it achieves reliable and adaptive uncertainty quantification.

Inertial confinement fusion (ICF) is a leading pathway toward clean energy, but each shot at the National Ignition Facility costs on the order of one million dollars, making accurate AI surrogates a high-value target. We study exogenous-driven ICF waveform prediction, where a 512-step neutron-rate diagnostic must be inferred directly from a laser pulse and target design parameters, with no historical response observed. The regime stresses standard time-series predictors with temporal sparsity (picosecond peak in a nanosecond window), input-output scale mismatch (under 300 real shots), and peak sensitivity (picosecond timing). We propose ICF-DLM, to our knowledge the first LM-based ICF predictor, combining (i) a physics-typed decomposition into yield $Y_{DT}$, peak timing $t_{\mathrm{peak}}$, and local waveform $w_{\mathrm{local}}$; (ii) bidirectional denoising that defers commitment to peak location; and (iii) a physics-driven PPO reward re-injecting metric structure across numeric tokens. On ICFBench (50K simulations + 232 experimental shots), ICF-DLM cuts peak-timing error from 11.6 to 9.2 steps over a matched autoregressive LLaMA-3-8B and outperforms classical sequence models and LLM-based time-series predictors. Beyond ICF, the recipe shows potential to address science domains with low data and sparse events.

Offline-trained surrogates for Inertial Confinement Fusion (ICF) suffer a well-known failure mode that iterative optimizers drive inputs into out-of-distribution (OOD) regions where predictions become unreliable. Here we present Co4ICF, a co-evolving framework that couples a physics-informed surrogate with a PPO-based pulse optimizer. The surrogate is iteratively fine-tuned on policy-induced trajectories, correcting extrapolation errors as the optimizer shifts the input distribution; the optimizer queries this evolving surrogate as a fast environment. In the 1D MULTI environment, Co4ICF achieves 146.1% normalized yield based on current laser design baseline; as a post-hoc cross-fidelity check, the optimized pulse further attains 246.9% normalized yield when directly evaluated in 2D-MULTI without any 2D training or fine-tuning. Budget-matched ablations support that the gains are not explained solely by additional simulation data and are consistent with the co-evolving mechanism playing a key role. We release a large-scale MULTI-IFE simulation dataset to support future benchmarking.

Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop Meta Bayesian Optimization (HL-MBO), a framework that integrates expert knowledge with few-shot, uncertainty-aware machine learning to accelerate discovery in data-scarce, high-stakes scientific domains. HL-MBO introduces a meta-learned surrogate model with an expert-informed acquisition function to recommend candidate experiments. To foster trust and enable informed decisions, HL-MBO also provides interpretable explanations of its suggestions. We show HL-MBO outperforms current BO methods on ICF energy yield optimization, as well as benchmarks in molecular optimization and critical temperature maximization for superconducting materials.

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability to test hypotheses, generate results, and learn from them rapidly. We present MADA (Multi-Agent Design Assistant), a Large Language Model (LLM) powered multi-agent framework that coordinates specialized agents for complex design workflows. A Job Management Agent (JMA) launches and manages ensemble simulations on HPC systems, a Geometry Agent (GA) generates meshes, and an Inverse Design Agent (IDA) proposes new designs informed by simulation outcomes. While general purpose, we focus development and validation on Richtmyer--Meshkov Instability (RMI) suppression, a critical challenge in Inertial Confinement Fusion. We evaluate on two complementary settings: running a hydrodynamics simulations on HPC systems, and using a pre-trained machine learning surrogate for rapid design exploration. Our results demonstrate that the MADA system successfully executes iterative design refinement, automatically improving designs toward optimal RMI suppression with minimal manual intervention. Our framework reduces cumbersome manual workflow setup, and enables automated design exploration at scale. More broadly, it demonstrates a reusable pattern for coupling reasoning, simulation, specialized tools, and coordinated workflows to accelerate scientific discovery.

PDE foundation models are typically pretrained on large, diverse corpora of PDE datasets and can be adapted to new settings with limited task-specific data. However, most downstream evaluations focus on forward problems, such as autoregressive rollout prediction. In this work, we study an inverse problem in inertial confinement fusion (ICF): estimating system parameters (inputs) from multi-modal, snapshot-style observations (outputs). Using the open JAG benchmark, which provides hyperspectral X-ray images and scalar observables per simulation, we finetune the PDE foundation model and train a lightweight task-specific head to jointly reconstruct hyperspectral images and regress system parameters. The fine-tuned model achieves accurate hyperspectral reconstruction (test MSE 1.2e-3) and strong parameter-estimation performance (up to R^2=0.995). Data-scaling experiments (5%-100% of the training set) show consistent improvements in both reconstruction and regression losses as the amount of training data increases, with the largest marginal gains in the low-data regime. Finally, finetuning from pretrained MORPH weights outperforms training the same architecture from scratch, demonstrating that foundation-model initialization improves sample efficiency for data-limited inverse problems in ICF.

Neutron imaging is essential for diagnosing and optimizing inertial confinement fusion implosions at the National Ignition Facility. Due to the required 10-micrometer resolution, however, neutron image require image reconstruction using iterative algorithms. For low-yield sources, the images may be degraded by various types of noise. Gaussian and Poisson noise often coexist within one image, obscuring fine details and blurring the edges where the source information is encoded. Traditional denoising techniques, such as filtering and thresholding, can inadvertently alter critical features or reshape the noise statistics, potentially impacting the ultimate fidelity of the iterative image reconstruction pipeline. However, recent advances in synthetic data production and machine learning have opened new opportunities to address these challenges. In this study, we present an unsupervised autoencoder with a Cohen-Daubechies- Feauveau (CDF 97) wavelet transform in the latent space, designed to suppress for mixed Gaussian-Poisson noise while preserving essential image features. The network successfully denoises neutron imaging data. Benchmarking against both simulated and experimental NIF datasets demonstrates that our approach achieves lower reconstruction error and superior edge preservation compared to conventional filtering methods such as Block-matching and 3D filtering (BM3D). By validating the effectiveness of unsupervised learning for denoising neutron images, this study establishes a critical first step towards fully AI-driven, end-to-end reconstruction frameworks for ICF diagnostics.

Inertial fusion energy promises nearly unlimited, clean power if it can be achieved. However, the design and engineering of fusion systems requires controlling and manipulating matter at extreme energies and timescales; the shock physics and radiation transport governing the physical behavior under these conditions are complex requiring the development, calibration, and use of predictive multiphysics codes to navigate the highly nonlinear and multi-faceted design landscape. We hypothesize that artificial intelligence reasoning models can be combined with physics codes and emulators to autonomously design fusion fuel capsules. In this article, we construct a multi-agent system where natural language is utilized to explore the complex physics regimes around fusion energy. The agentic system is capable of executing a high-order multiphysics inertial fusion computational code. We demonstrate the capacity of the multi-agent design assistant to translate natural-language design goals into simulation execution, physics-emulator construction, analysis, and iterative refinement of capsule-geometry parameters, ultimately achieving simulated ignition within the computational design workflow.