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

小众软件
小众软件
博客园_首页
博客园 - 聂微东
T
Tailwind CSS Blog
钛媒体:引领未来商业与生活新知
钛媒体:引领未来商业与生活新知
J
Java Code Geeks
The Cloudflare Blog
aimingoo的专栏
aimingoo的专栏
Martin Fowler
Martin Fowler
D
Docker
人人都是产品经理
人人都是产品经理
WordPress大学
WordPress大学
博客园 - 三生石上(FineUI控件)
Microsoft Azure Blog
Microsoft Azure Blog
Recent Announcements
Recent Announcements
Apple Machine Learning Research
Apple Machine Learning Research
阮一峰的网络日志
阮一峰的网络日志
B
Blog RSS Feed
OSCHINA 社区最新新闻
OSCHINA 社区最新新闻
Microsoft Security Blog
Microsoft Security Blog
L
LangChain Blog
Jina AI
Jina AI
博客园 - Franky
D
DataBreaches.Net

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
Fast non-autoregressive inverse folding with discrete dif...
John J. Yang, Jason Yim, Regina Barzilay, Tommi Jaakkola · 2023-12-05 · via stat.ML updates on arXiv.org

Generating protein sequences that fold into a intended 3D structure is a fundamental step in de novo protein design. De facto methods utilize autoregressive generation, but this eschews higher order interactions that could be exploited to improve inference speed. We describe a non-autoregressive alternative that performs inference using a constant number of calls resulting in a 23 times speed up without a loss in performance on the CATH benchmark. Conditioned on the 3D structure, we fine-tune ProteinMPNN to perform discrete diffusion with a purity prior over the index sampling order. Our approach gives the flexibility in trading off inference speed and accuracy by modulating the diffusion speed. Code: https://github.com/johnyang101/pmpnndiff