Related papers: Interpretable machine learning optimization (Inter…

Learning neural set functions becomes increasingly more important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority of existing works study methodologies of set function…

Efficiently optimizing multi-model inference pipelines for fast, accurate, and cost-effective inference is a crucial challenge in machine learning production systems, given their tight end-to-end latency requirements. To simplify the…

A decision support system relies on frequent re-solving of similar problem instances. While the general structure remains the same in corresponding applications, the input parameters are updated on a regular basis. We propose a generative…

This paper proposes a chat-driven network management framework that integrates natural language processing (NLP) with optimization-based virtual network allocation, enabling intuitive and reliable reconfiguration of virtual network…

Due largely to challenges associated with physical interpretability of machine learning (ML) methods, and because model interpretability is key to credibility in management applications, many scientists and practitioners are hesitant to…

When using machine learning techniques in decision-making processes, the interpretability of the models is important. In the present paper, we adopted the Shapley additive explanation (SHAP), which is based on fair profit allocation among…

This paper illustrates an application of machine learning (ML) within a complex system that performs grade estimation. In surface mining, assay measurements taken from production drilling often provide useful information that allows…

Decomposition has become an increasingly popular technique for evolutionary multi-objective optimization (EMO). A decomposition-based EMO algorithm is usually designed to approximate a whole Pareto-optimal front (PF). However, in practice,…

Astrochemical modelling of the interstellar medium typically makes use of complex computational codes with parameters whose values can be varied. It is not always clear what the exact nature of the relationship is between these input…

Interpretable reinforcement learning policies are essential for high-stakes decision-making, yet optimizing decision tree policies in Markov Decision Processes (MDPs) remains challenging. We propose SPOT, a novel method for computing…

Integer linear programming (ILP) is an elegant approach to solve linear optimization problems, naturally described using integer decision variables. Within the context of physics-inspired machine learning applied to chemistry, we…

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Accurate short-term forecasting of hauling-fleet capacity is crucial in open-pit mining, where weather fluctuations, mechanical breakdowns, and variable crew availability introduce significant operational uncertainties. We propose a…

While achieving tremendous success in various fields, existing multi-agent reinforcement learning (MARL) with a black-box neural network makes decisions in an opaque manner that hinders humans from understanding the learned knowledge and…

With the growing computational power available for high-resolution ensemble simulations in scientific fields such as cosmology and oceanology, storage and computational demands present significant challenges. Current surrogate models fall…

In this work, we consider the problem of autonomous exploration in search of targets while respecting a fixed energy budget. The robot is equipped with an incremental-resolution symbolic perception module wherein the perception of targets…

Machine learning has achieved remarkable success over the past couple of decades, often attributed to a combination of algorithmic innovations and the availability of high-quality data available at scale. However, a third critical component…

Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…

Data-driven inverse optimization for mixed-integer linear programs (MILPs), which seeks to learn an objective function and constraints consistent with observed decisions, is important for building accurate mathematical models in a variety…

We present HyperFLINT (Hypernetwork-based FLow estimation and temporal INTerpolation), a novel deep learning-based approach for estimating flow fields, temporally interpolating scalar fields, and facilitating parameter space exploration in…