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Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Machine Learning · Computer Science 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

In this workshop, we discuss several algorithms for mathematical programs with equilibrium constraints (MPECs). The unifying theme is that MPECs are optimization problems whose feasible set contains a lower-level equilibrium system, often…

Optimization and Control · Mathematics 2026-04-20 Jiguang Yu

Probabilistic programming (PP) is a programming paradigm that allows for writing statistical models like ordinary programs, performing simulations by running those programs, and analyzing and refining their statistical behavior using…

Programming Languages · Computer Science 2024-06-19 Martin Kuhn , Joscha Grüger , Christoph Matheja , Andrey Rivkin

Scaling probabilistic models to large realistic problems and datasets is a key challenge in machine learning. Central to this effort is the development of tractable probabilistic models (TPMs): models whose structure guarantees efficient…

Artificial Intelligence · Computer Science 2020-06-30 Honghua Zhang , Steven Holtzen , Guy Van den Broeck

Influence diagrams represent decision-making problems with interdependencies between random events, decisions, and consequences. Traditionally, they have been solved using algorithms that determine the expected utility-maximizing decision…

Optimization and Control · Mathematics 2026-01-14 Topias Terho , Fabricio Oliveira , Ahti Salo , Pedro Munari

A representation of the cause-effect mechanism is needed to enable artificial intelligence to represent how the world works. Bayesian Networks (BNs) have proven to be an effective and versatile tool for this task. BNs require constructing a…

Artificial Intelligence · Computer Science 2026-03-18 Joverlyn Gaudillo , Nicole Astrologo , Fabio Stella , Enzo Acerbi , Francesco Canonaco

In recent years, the integration of Machine Learning (ML) models with Operation Research (OR) tools has gained popularity across diverse applications, including cancer treatment, algorithmic configuration, and chemical process optimization.…

Machine Learning · Computer Science 2023-07-17 Matteo Cacciola , Antonio Frangioni , Andrea Lodi

Recent investigations into sum-product-max networks (SPMN) that generalize sum-product networks (SPN) offer a data-driven alternative for decision making, which has predominantly relied on handcrafted models. SPMNs computationally represent…

Artificial Intelligence · Computer Science 2020-06-15 Hari Teja Tatavarti , Prashant Doshi , Layton Hayes

Quadratic programming (QP) is the most widely applied category of problems in nonlinear programming. Many applications require real-time/fast solutions, though not necessarily with high precision. Existing methods either involve matrix…

Machine Learning · Computer Science 2025-09-23 Ziang Chen , Xiaohan Chen , Jialin Liu , Xinshang Wang , Wotao Yin

Model Predictive Control (MPC) is a successful control methodology, which is applied to increasingly complex systems. However, real-time feasibility of MPC can be challenging for complex systems, certainly when an (extremely) large number…

Systems and Control · Electrical Eng. & Systems 2024-10-25 S. A. N. Nouwens , B. de Jager , M. M. Paulides , W. P. M. H. Heemels

As demonstrated in many areas of real-life applications, neural networks have the capability of dealing with high dimensional data. In the fields of optimal control and dynamical systems, the same capability was studied and verified in many…

Machine Learning · Computer Science 2020-12-04 Wei Kang , Qi Gong

We explore unique considerations involved in fitting ML models to data with very high precision, as is often required for science applications. We empirically compare various function approximation methods and study how they scale with…

Machine Learning · Computer Science 2023-02-01 Eric J. Michaud , Ziming Liu , Max Tegmark

Equilibrium logic is an approach to nonmonotonic reasoning that extends the stable-model and answer-set semantics for logic programs. In particular, it includes the general case of nested logic programs, where arbitrary Boolean combinations…

Logic in Computer Science · Computer Science 2009-12-30 David Pearce , Hans Tompits , Stefan Woltran

Probabilistic conceptual network is a knowledge representation scheme designed for reasoning about concepts and categorical abstractions in utility-based categorization. The scheme combines the formalisms of abstraction and inheritance…

Artificial Intelligence · Computer Science 2013-03-08 Kim-Leng Poh , Michael R. Fehling

Artificial Neural Networks(ANN) has been phenomenally successful on various pattern recognition tasks. However, the design of neural networks rely heavily on the experience and intuitions of individual developers. In this article, the…

Machine Learning · Statistics 2017-01-19 Zhao Peng

Artificial neural networks (ANNs) perform extraordinarily on numerous tasks including classification or prediction, e.g., speech processing and image classification. These new functions are based on a computational model that is enabled to…

Artificial Intelligence · Computer Science 2024-05-08 Antonio Bikić , Sayan Mukherjee

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods…

Computation and Language · Computer Science 2022-10-10 Pierre Colombo , Nathan Noiry , Ekhine Irurozki , Stephan Clemencon

Program synthesis is a class of regression problems where one seeks a solution, in the form of a source-code program, mapping the inputs to their corresponding outputs exactly. Due to its precise and combinatorial nature, program synthesis…

Artificial Intelligence · Computer Science 2018-06-08 Yewen Pu , Zachery Miranda , Armando Solar-Lezama , Leslie Pack Kaelbling

MDMP is a new parallel programming approach that aims to provide users with an easy way to add parallelism to programs, optimise the message passing costs of traditional scientific simulation algorithms, and enable existing MPI-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-04-30 Adrian Jackson , Par Strand