惯性聚合 高效追踪和阅读你感兴趣的博客、新闻、科技资讯
阅读原文 在惯性聚合中打开

推荐订阅源

让小产品的独立变现更简单 - ezindie.com
让小产品的独立变现更简单 - ezindie.com
Jina AI
Jina AI
Hugging Face - Blog
Hugging Face - Blog
博客园 - 三生石上(FineUI控件)
博客园 - 【当耐特】
大猫的无限游戏
大猫的无限游戏
IT之家
IT之家
宝玉的分享
宝玉的分享
WordPress大学
WordPress大学
有赞技术团队
有赞技术团队
Apple Machine Learning Research
Apple Machine Learning Research
酷 壳 – CoolShell
酷 壳 – CoolShell
阮一峰的网络日志
阮一峰的网络日志
奇客Solidot–传递最新科技情报
奇客Solidot–传递最新科技情报
爱范儿
爱范儿
小众软件
小众软件
OSCHINA 社区最新新闻
OSCHINA 社区最新新闻
The Cloudflare Blog
S
SegmentFault 最新的问题
博客园 - Franky
博客园_首页
T
Tailwind CSS Blog
雷峰网
雷峰网
罗磊的独立博客

stat.ML updates on arXiv.org

Adaptive multi-fidelity optimization with fast learning rates Enhancing AI and Dynamical Subseasonal Forecasts with Probabilistic Bias Correction Sample Complexity Bounds for Stochastic Shortest Path with a Generative Model The Harder Path: Last Iterate Convergence for Uncoupled Learning in Zero-Sum Games with Bandit Feedback Stylistic-STORM (ST-STORM) : Perceiving the Semantic Nature of Appearance Collective Kernel EFT for Pre-activation ResNets PRIM-cipal components analysis One-Shot Generative Flows: Existence and Obstructions Structural interpretability in SVMs with truncated orthogonal polynomial kernels Amortized Optimal Transport from Sliced Potentials MinShap: A Modified Shapley Value Approach for Feature Selection Unsupervised feature selection using Bayesian Tucker decomposition Multi-User mmWave Beam and Rate Adaptation via Combinatorial Satisficing Bandits Best of both worlds: Stochastic & adversarial best-arm identification Scalable Model-Based Clustering with Sequential Monte Carlo Expert-Guided Class-Conditional Goodness-of-Fit Scores for Interpretable Classification with Informative Missingness: An Application to Seismic Monitoring Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks Gating Enables Curvature: A Geometric Expressivity Gap in Attention Zeroth-Order Optimization at the Edge of Stability Differentially Private Conformal Prediction CLion: Efficient Cautious Lion Optimizer with Enhanced Generalization Generative Augmented Inference Improving Machine Learning Performance with Synthetic Augmentation PAC-MCTS: Bias-Aware Pruning for Robust LLM-Guided Search and Planning Path-Sampled Integrated Gradients Heat and Matérn Kernels on Matchings Doubly Outlier-Robust Online Infinite Hidden Markov Model Momentum Further Constrains Sharpness at the Edge of Stochastic Stability Multistage Conditional Compositional Optimization BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization
Language Models Enable Data-Augmented Synthesis Planning ...
Thorben Prein, Elton Pan, Janik Jehkul, Steffen Weinmann, Elsa A · 2025-06-14 · via stat.ML updates on arXiv.org

Inorganic synthesis planning currently relies primarily on heuristic approaches or machine-learning models trained on limited datasets, which constrains its generality. We demonstrate that language models, without task-specific fine-tuning, can recall synthesis conditions. Off-the-shelf models, such as GPT-4.1, Gemini 2.0 Flash and Llama 4 Maverick, achieve a Top-1 precursor-prediction accuracy of up to 53.8 % and a Top-5 performance of 66.1 % on a held-out set of 1,000 reactions. They also predict calcination and sintering temperatures with mean absolute errors below 126 °C, matching specialized regression methods. Ensembling these language models further enhances predictive accuracy and reduces inference cost per prediction by up to 70 %. We subsequently employ language models to generate 28,548 synthetic reaction recipes, which we combine with literature-mined examples to pretrain a transformer-based model, SyntMTE. After fine-tuning on the combined dataset, SyntMTE reduces mean-absolute error in sintering temperature prediction to 73 °C and in calcination temperature to 98 °C. This strategy improves models by up to 8.7 % compared with baselines trained exclusively on experimental data. Finally, in a case study on Li7La3Zr2O12 solid-state electrolytes, we demonstrate that SyntMTE reproduces the experimentally observed dopant-dependent sintering trends. Our hybrid workflow enables scalable, data-efficient inorganic synthesis planning.