Related papers: Pareto-optimal alloys
With the advent of multi-core processors, network-on-chip design has been key in addressing network performances, such as bandwidth, power consumption, and communication delays when dealing with on-chip communication between the increasing…
We consider a class of production-inventory problems with box uncertainty sets from the seminal work of Ben-Tal et al. (2004) on linear decision rules in robust optimization. We prove that there always exists an optimal linear decision rule…
Active search is a learning paradigm for actively identifying as many members of a given class as possible. A critical target scenario is high-throughput screening for scientific discovery, such as drug or materials discovery. In this…
Weighted least squares fitting to a database of quantum mechanical calculations can determine the optimal parameters of empirical potential models. While algorithms exist to provide optimal potential parameters for a given fitting database…
Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…
High entropy alloys offer a huge search space for new electrocatalysts. Searching for a global property maximum in one quinary system could require, depending on compositional resolution, the synthesis of up to 10E6 samples which is…
The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. In this work, we develop a…
Model-based process design and operation involves here-and-now and wait-and-see decisions. Here-and-now decisions include design variables like the size of heat exchangers or the height of distillation columns, whereas wait-and-see…
Optimizing nonlinear systems involving expensive computer experiments with regard to conflicting objectives is a common challenge. When the number of experiments is severely restricted and/or when the number of objectives increases,…
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates into a more symmetric representation. Many of the most popular…
Inspired by the principle of equal probability proposed by Boltzmann in the 1870s, we establish a theoretical framework for the most probable distribution of meta-structures in materials. Furthermore, we validate the reliability of this…
The discovery of advanced metallic alloys is hindered by vast composition spaces, competing property objectives, and real-world constraints on manufacturability. Here we introduce MATAI, a generalist machine learning framework for property…
We present a symmetry-based exhaustive approach to explore the structural and compositional richness of two-dimensional materials. We use a ``combinatorial engine'' that constructs potential compounds by occupying all possible Wyckoff…
In the dynamic and rapidly advancing battery field, alloy anode materials are a focal point due to their superior electrochemical performance. Traditional screening methods are inefficient and time-consuming. Our research introduces a…
This paper develops algorithms to solve strong-substitutes product-mix auctions. That is, it finds competitive equilibrium prices and quantities for agents who use this auction's bidding language to truthfully express their…
We study a sequential decision-making model where a set of items is repeatedly matched to the same set of agents over multiple rounds. The objective is to determine a sequence of matchings that either maximizes the utility of the least…
We give an efficient algorithm to enumerate all elements of a Pareto front in a multi-objective optimization problem in which the space of values is finite for all objectives. Our algorithm uses a feasibility check for a search space…
In the unit-cost comparison model, a black box takes an input two items and outputs the result of the comparison. Problems like sorting and searching have been studied in this model, and it has been generalized to include the concept of…
The traditional heat-load generation pattern of combined heat and power generators has become a problem leading to renewable energy source (RES) power curtailment in cold regions, motivating the proposal of a planning model for alternative…
Auctions are widely used in exchanges to match buy and sell requests. Once the buyers and sellers place their requests, the exchange determines how these requests are to be matched. The two most popular objectives used while determining the…