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材料探索

材料候補探索、分子生成、実験条件探索、ベイズ最適化に関係する技術です。

記事一覧

12 / 18
arxiv

Designing Experiments for External Decision Makers

Standard Bayesian experimental design (BED) methods assume the experimenter alone will act on the data, choosing the best action given their own beliefs and goals. In practice, data are often acted…

nlp
arxiv

Approximate Universal Prediction under Interaction

Bayesian mixtures, and Solomonoff induction in particular, provide an idealized model of prediction learned by minimizing population log loss, and they underlie universal agents such as AIXI. An…

deep-learning
arxiv

k-Submodular Cover Problem with a Matroid Constraint

We investigate k-submodular cover problem with a matroid constraint on an n-element ground set V , which seeks k disjoint subsets of V with minimal cost, where their union is an independent set for…

math-theory
arxiv

Tight Inapproximability for Generalized Circuits

Generalized circuits are a fundamental tool for establishing PPAD-hardness and membership of approximate equilibrium problems. Despite their importance, the complexity of finding approximate…

math-theory
arxiv

A Simple and General Approach to top-$k$ Selection

This paper considers the Bayesian top-$k$ identification problem, wherein a decision maker is tasked with selecting $k$ items from a pool of items of unknown quality. To assess the items, the…

computer-vision
arxiv

Reliable AI-Assisted Decisions via Selective Auditing

We consider online monitoring of an AI system that produces a sequence of decisions. At each round, the system outputs a proposed decision together with a confidence score estimating the…

deep-learning