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

N
Netflix TechBlog - Medium
IT之家
IT之家
博客园_首页
Hugging Face - Blog
Hugging Face - 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
美团技术团队
小众软件
小众软件
博客园 - 叶小钗
WordPress大学
WordPress大学
OSCHINA 社区最新新闻
OSCHINA 社区最新新闻
博客园 - 三生石上(FineUI控件)
罗磊的独立博客
博客园 - Franky
freeCodeCamp Programming Tutorials: Python, JavaScript, Git & More
Last Week in AI
Last Week in AI
奇客Solidot–传递最新科技情报
奇客Solidot–传递最新科技情报
有赞技术团队
有赞技术团队
T
Tailwind CSS Blog
宝玉的分享
宝玉的分享
博客园 - 【当耐特】
月光博客
月光博客
Cyber Security Advisories - MS-ISAC
Cyber Security Advisories - MS-ISAC
酷 壳 – CoolShell
酷 壳 – CoolShell
人人都是产品经理
人人都是产品经理

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
Probabilistic thermal stability prediction through sparsi...
Yevgen Zainchkovskyy, Jesper Ferkinghoff-Borg, Anja Bennett, Tho · 2022-11-11 · via stat.ML updates on arXiv.org

Pre-trained protein language models have demonstrated significant applicability in different protein engineering task. A general usage of these pre-trained transformer models latent representation is to use a mean pool across residue positions to reduce the feature dimensions to further downstream tasks such as predicting bio-physics properties or other functional behaviours. In this paper we provide a two-fold contribution to machine learning (ML) driven drug design. Firstly, we demonstrate the power of sparsity by promoting penalization of pre-trained transformer models to secure more robust and accurate melting temperature (Tm) prediction of single-chain variable fragments with a mean absolute error of 0.23C. Secondly, we demonstrate the power of framing our prediction problem in a probabilistic framework. Specifically, we advocate for the need of adopting probabilistic frameworks especially in the context of ML driven drug design.