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A plethora of problems in AI, engineering and the sciences are naturally formalized as inference in discrete probabilistic models. Exact inference is often prohibitively expensive, as it may require evaluating the (unnormalized) target…

Machine Learning · Computer Science 2019-10-16 Lars Buesing , Nicolas Heess , Theophane Weber

Decision tree learning is a widely used approach in machine learning, favoured in applications that require concise and interpretable models. Heuristic methods are traditionally used to quickly produce models with reasonably high accuracy.…

Diffusion models have recently emerged as a powerful tool for planning. However, unlike Monte Carlo Tree Search (MCTS)-whose performance naturally improves with inference-time computation scaling-standard diffusion-based planners offer only…

Artificial Intelligence · Computer Science 2026-01-30 Jaesik Yoon , Hyeonseo Cho , Doojin Baek , Yoshua Bengio , Sungjin Ahn

Developing and fielding complex systems requires proof that they are reliably correct with respect to their design and operating requirements. Especially for autonomous systems which exhibit unanticipated emergent behavior, fully…

Software Engineering · Computer Science 2024-02-28 Matthew Litton , Doron Drusinsky , James Bret Michael

The POMDP is a powerful framework for reasoning under outcome and information uncertainty, but constructing an accurate POMDP model is difficult. Bayes-Adaptive Partially Observable Markov Decision Processes (BA-POMDPs) extend POMDPs to…

Artificial Intelligence · Computer Science 2018-06-15 Sammie Katt , Frans A. Oliehoek , Christopher Amato

In this work we propose a hierarchy of Monte Carlo methods for sampling equilibrium properties of stochastic lattice systems with competing short and long range interactions. Each Monte Carlo step is composed by two or more sub - steps…

Numerical Analysis · Mathematics 2015-05-30 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac , Dionisios G Vlachos

A Robotic Mobile Fulfillment System is a robotised parts-to-picker system that is particularly well-suited for e-commerce warehousing. One distinguishing feature of this type of warehouse is its high storage modularity. Numerous robots are…

In this paper, we present a new algorithm for parallel Monte Carlo tree search (MCTS). It is based on the pipeline pattern and allows flexible management of the control flow of the operations in parallel MCTS. The pipeline pattern provides…

Artificial Intelligence · Computer Science 2017-04-04 S. Ali Mirsoleimani , Aske Plaat , Jaap van den Herik , Jos Vermaseren

Decision tree learning is a popular approach for classification and regression in machine learning and statistics, and Bayesian formulations---which introduce a prior distribution over decision trees, and formulate learning as posterior…

Machine Learning · Statistics 2013-08-26 Balaji Lakshminarayanan , Daniel M. Roy , Yee Whye Teh

In this research, we investigate the possibility of applying a search strategy to genetic algorithms to explore the entire genetic tree structure. Several methods aid in performing tree searches; however, simpler algorithms such as…

Neural and Evolutionary Computing · Computer Science 2023-08-10 Akshay Hebbar

Multi-mode resource and precedence-constrained project scheduling is a well-known challenging real-world optimisation problem. An important variant of the problem requires scheduling of activities for multiple projects considering…

Data Structures and Algorithms · Computer Science 2016-09-09 Shahriar Asta , Daniel Karapetyan , Ahmed Kheiri , Ender Özcan , Andrew J. Parkes

Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysing molecules recursively and dissecting them into simpler…

Artificial Intelligence · Computer Science 2017-02-02 Marwin Segler , Mike Preuß , Mark P. Waller

One challenging and essential task in biochemistry is the generation of novel molecules with desired properties. Novel molecule generation remains a challenge since the molecule space is difficult to navigate through, and the generated…

Machine Learning · Computer Science 2020-12-14 Anand A. Rajasekar , Karthik Raman , Balaraman Ravindran

The rapid advancement of Large Language Models (LLMs) has outpaced traditional evaluation methods. Static benchmarks fail to capture the depth and breadth of LLM capabilities and eventually become obsolete, while most dynamic approaches…

Artificial Intelligence · Computer Science 2025-04-11 Vahid Majdinasab , Amin Nikanjam , Foutse Khomh

We present a novel preference learning framework to capture participant preferences efficiently within limited interaction rounds. It involves three main contributions. First, we develop a variational Bayesian approach to infer the…

Machine Learning · Computer Science 2025-03-20 Yan Wang , Jiapeng Liu , Milosz Kadziński , Xiuwu Liao

A method was developed for Bayesian inference of species phylogeny using the multi-species coalescent model. To improve the mixing properties of the Markov chain Monte Carlo (MCMC) algorithm that traverses the space of species trees, we…

Populations and Evolution · Quantitative Biology 2015-12-15 Bruce Rannala , Ziheng Yang

The key to Black-Box Optimization is to efficiently search through input regions with potentially widely-varying numerical properties, to achieve low-regret descent and fast progress toward the optima. Monte Carlo Tree Search (MCTS) methods…

Machine Learning · Computer Science 2022-11-03 Yaoguang Zhai , Sicun Gao

Monte Carlo methods are widely used importance sampling techniques for studying complex physical systems. Integrating these methods with deep learning has significantly improved efficiency and accuracy in high-dimensional problems and…

Disordered Systems and Neural Networks · Physics 2024-12-24 Yixiong Ren , Jianhui Zhou

We made a comparative analysis of numerical methods for multidimensional optimization. The main parameter is a number of computations of the test function to reach necessary accuracy, as it is computationally "slow". For complex functions,…

Instrumentation and Methods for Astrophysics · Physics 2013-10-09 Ivan L. Andronov , Maria G. Tkachenko

Despite its importance, choosing the structural form of the kernel in nonparametric regression remains a black art. We define a space of kernel structures which are built compositionally by adding and multiplying a small number of base…

Machine Learning · Statistics 2013-05-15 David Duvenaud , James Robert Lloyd , Roger Grosse , Joshua B. Tenenbaum , Zoubin Ghahramani