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Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Decision trees, owing to their interpretability, are attractive as control policies for (dynamical) systems. Unfortunately, constructing, or synthesising, such policies is a challenging task. Previous approaches do so by imitating a…

Artificial Intelligence · Computer Science 2025-04-23 Emir Demirović , Christian Schilling , Anna Lukina

This paper introduces a novel Bayesian learning model to explain the behavior of Large Language Models (LLMs), focusing on their core optimization metric of next token prediction. We develop a theoretical framework based on an ideal…

Machine Learning · Computer Science 2024-09-25 Siddhartha Dalal , Vishal Misra

Using Machine Learning systems in the real world can often be problematic, with inexplicable black-box models, the assumed certainty of imperfect measurements, or providing a single classification instead of a probability distribution. This…

Machine Learning · Computer Science 2023-07-11 Jonathan S. Kent , David H. Menager

We present a unified framework for modelling genomes and their rearrangements in a genome algebra, as elements that simultaneously incorporate all physical symmetries. Building on previous work utilising the group algebra of the symmetric…

Populations and Evolution · Quantitative Biology 2022-05-17 Venta Terauds , Jeremy Sumner

Future wireless networks are expected to incorporate diverse services that often lack general mathematical models. To address such black-box network management tasks, the large language model (LLM) optimizer framework, which leverages…

Information Theory · Computer Science 2025-07-04 Hoon Lee , Wentao Zhou , Merouane Debbah , Inkyu Lee

Likelihood-free Bayesian inference algorithms are popular methods for calibrating the parameters of complex, stochastic models, required when the likelihood of the observed data is intractable. These algorithms characteristically rely…

Computation · Statistics 2021-12-23 Thomas P Prescott , David J Warne , Ruth E Baker

Many statistical models in cosmology can be simulated forwards but have intractable likelihood functions. Likelihood-free inference methods allow us to perform Bayesian inference from these models using only forward simulations, free from…

Cosmology and Nongalactic Astrophysics · Physics 2018-04-11 Justin Alsing , Benjamin Wandelt , Stephen Feeney

The success of large language models (LLMs) across diverse NLP tasks has elevated the importance of reasoning chain optimization as a critical step in aligning model behavior with task objectives. Existing reasoning chain tuning methods…

Computation and Language · Computer Science 2026-05-29 Dong Liu , Yanxuan Yu , Ying Nian Wu

Recently proposed models which learn to write computer programs from data use either input/output examples or rich execution traces. Instead, we argue that a novel alternative is to use a glass-box loss function, given as a program itself…

Machine Learning · Computer Science 2017-09-27 Konstantina Christakopoulou , Adam Tauman Kalai

We demonstrate the implementation of a novel machine learning framework for probability density estimation and classification using quantum circuits. The framework maps a training data set or a single data sample to the quantum state of a…

Quantum Physics · Physics 2022-06-28 Vladimir Vargas-Calderón , Fabio A. González , Herbert Vinck-Posada

Likelihood-free inference provides a rigorous approach to preform Bayesian analysis using forward simulations only. The main advantage of likelihood-free methods is its ability to account for complex physical processes and observational…

Cosmology and Nongalactic Astrophysics · Physics 2022-02-09 Sut-Ieng Tam , Keiichi Umetsu , Adam Amara

A new type of experiment with joint considerations of quantitative and sequence factors is recently drawing much attention in medical science, bio-engineering, and many other disciplines. The input spaces of such experiments are…

Methodology · Statistics 2025-02-06 Yaping Wang , Sixu Liu , Qian Xiao

In the past decades, most work in the area of data analysis and machine learning was focused on optimizing predictive models and getting better results than what was possible with existing models. To what extent the metrics with which such…

Machine Learning · Statistics 2024-05-06 Nicolas Dewolf

Uncertainty quantification, by means of confidence interval (CI) construction, has been a fundamental problem in statistics and also important in risk-aware decision-making. In this paper, we revisit the basic problem of CI construction,…

Methodology · Statistics 2024-08-13 Shengyi He , Henry Lam

As machine learning algorithms are increasingly applied to high impact yet high risk tasks, such as medical diagnosis or autonomous driving, it is critical that researchers can explain how such algorithms arrived at their predictions. In…

Computer Vision and Pattern Recognition · Computer Science 2021-12-06 Ruth Fong , Andrea Vedaldi

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. However, it remains a challenge for users to apply BBO methods to their problems at hand…

Machine Learning · Computer Science 2021-11-05 Yang Li , Yu Shen , Wentao Zhang , Yuanwei Chen , Huaijun Jiang , Mingchao Liu , Jiawei Jiang , Jinyang Gao , Wentao Wu , Zhi Yang , Ce Zhang , Bin Cui

This paper investigates the problem of ensembling multiple strategies for sequential portfolios to outperform individual strategies in terms of long-term wealth. Due to the uncertainty of strategies' performances in the future market, which…

Portfolio Management · Quantitative Finance 2025-02-07 Duy Khanh Lam

A composite likelihood is an inference function derived by multiplying a set of likelihood components. This approach provides a flexible framework for drawing inference when the likelihood function of a statistical model is computationally…

Methodology · Statistics 2024-12-10 Giuseppe Alfonzetti , Ruggero Bellio , Yunxiao Chen , Irini Moustaki

Black-box optimization in science and engineering often comes with side information: experts, simulators, pretrained predictors, or heuristics can suggest which candidates look promising. This information can accelerate search, but it can…

Machine Learning · Computer Science 2026-05-08 Nicolas Samuel Blumer , Julien Martinelli , Samuel Kaski
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