Public models offer predictions to a variety of downstream tasks and have played a crucial role in various AI applications, showcasing their proficiency in accurate predictions. However, the exclusive emphasis on prediction accuracy may not align with the diverse end objectives of downstream agents. Recognizing the public model's predictions as a service, we advocate for integrating the objectives of downstream agents into the optimization process. Concretely, to address performance disparities and foster fairness among heterogeneous agents in training, we propose a novel Equitable Objective. This objective, coupled with a policy gradient algorithm, is crafted to train the public model to produce a more equitable/uniform performance distribution across downstream agents, each with their unique concerns. Both theoretical analysis and empirical case studies have proven the effectiveness of our method in advancing performance equity across diverse downstream agents utilizing the public model for their decision-making. Codes and datasets are released at https://github.com/Ren-Research/Socially-Equitable-Public-Models.

The Univer sity of Texas at Arlington, 2015 Sup ervising Professor: Michael Manry There is always an ambiguity in deciding the number of learning factors that is really required for training a Multi - Layer Perceptron. This thesis solves this problem by introducing a new method of adaptively changing the number of learning factors computed based on the error change created per multiply. A new method is introduced for computing learning factors for weights grouped based on the curvature of the objective function. A method for linearly compressing large ill - conditioned Newton's Hessian matrices to smaller well - conditioned ones is shown. This thesis also shows that the proposed training algorithm adapts itself between two other algorithms in order to produce a better error decrease per multiply. The performanc e of the proposed algorithm is shown to be better than OWO - MOLF and Levenberg Marquardt for most of the data sets.

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges for efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovation. Addressing these challenges, the integration of artificial intelligence with materials science has opened avenues for accelerating the discovery process, though it also demands precise annotation, data extraction, and traceability of information. To tackle these issues, this article introduces the Materials Knowledge Graph (MKG), which utilizes advanced natural language processing techniques, integrated with large language models to extract and systematically organize a decade's worth of high-quality research into structured triples, contains 162,605 nodes and 731,772 edges. MKG categorizes information into comprehensive labels such as Name, Formula, and Application, structured around a meticulously designed ontology, thus enhancing data usability and integration. By implementing network-based algorithms, MKG not only facilitates efficient link prediction but also significantly reduces reliance on traditional experimental methods. This structured approach not only streamlines materials research but also lays the groundwork for more sophisticated science knowledge graphs.

Inverse optimization involves inferring unknown parameters of an optimization problem from known solutions and is widely used in fields such as transportation, power systems, and healthcare. We study the contextual inverse optimization setting that utilizes additional contextual information to better predict the unknown problem parameters. We focus on contextual inverse linear programming (CILP), addressing the challenges posed by the non-differentiable nature of LPs. For a linear prediction model, we reduce CILP to a convex feasibility problem allowing the use of standard algorithms such as alternating projections. The resulting algorithm for CILP is equipped with theoretical convergence guarantees without additional assumptions such as degeneracy or interpolation. Next, we reduce CILP to empirical risk minimization (ERM) on a smooth, convex loss that satisfies the Polyak-Lojasiewicz condition. This reduction enables the use of scalable first-order optimization methods to solve large non-convex problems while maintaining theoretical guarantees in the convex setting. Subsequently, we use the reduction to ERM to quantify the generalization performance of the proposed algorithm on previously unseen instances. Finally, we experimentally validate our approach on synthetic and real-world problems and demonstrate improved performance compared to existing methods.

The primary goal of online change detection (OCD) is to promptly identify changes in the data stream. OCD problem find a wide variety of applications in diverse areas, e.g., security detection in smart grids and intrusion detection in communication networks. Prior research usually assumes precise knowledge of the system parameters. Nevertheless, this presumption often proves unattainable in practical scenarios due to factors such as estimation errors, system updates, etc. This paper aims to take the first attempt to develop a triadic-OCD framework with certifiable robustness, provable optimality, and guaranteed convergence. In addition, the proposed triadic-OCD algorithm can be realized in a fully asynchronous distributed manner, easing the necessity of transmitting the data to a single server. This asynchronous mechanism could also mitigate the straggler issue that faced by traditional synchronous algorithm. Moreover, the non-asymptotic convergence property of Triadic-OCD is theoretically analyzed, and its iteration complexity to achieve an $\epsilon$-optimal point is derived. Extensive experiments have been conducted to elucidate the effectiveness of the proposed method.

This paper explores the use of XGBoost for composite quantile regression. XGBoost is a highly popular model renowned for its flexibility, efficiency, and capability to deal with missing data. The optimization uses a second order approximation of the loss function, complicating the use of loss functions with a zero or vanishing second derivative. Quantile regression -- a popular approach to obtain conditional quantiles when point estimates alone are insufficient -- unfortunately uses such a loss function, the pinball loss. Existing workarounds are typically inefficient and can result in severe quantile crossings. In this paper, we present a smooth approximation of the pinball loss, the arctan pinball loss, that is tailored to the needs of XGBoost. Specifically, contrary to other smooth approximations, the arctan pinball loss has a relatively large second derivative, which makes it more suitable to use in the second order approximation. Using this loss function enables the simultaneous prediction of multiple quantiles, which is more efficient and results in far fewer quantile crossings.

Big Tech's appetite for energy is just about visible from the east coast of Scotland. Some 12 miles out to sea sits a wind farm, where each of the 60 giant turbines has blades roughly the length of an American football field. The utility companies behind the Moray West project had promised the site would be capable of generating enough electricity to power 1.3 million homes once completed. That was before Amazon stepped in. In January, Amazon announced it had struck a deal to claim more than half the site's 880 megawatts of output, part of its ongoing attempt to slake its unquenchable thirst for power.

We consider the prediction of general tensor properties of crystalline materials, including dielectric, piezoelectric, and elastic tensors. A key challenge here is how to make the predictions satisfy the unique tensor equivariance to O(3) group and invariance to crystal space groups. To this end, we propose a General Materials Tensor Network (GMTNet), which is carefully designed to satisfy the required symmetries. To evaluate our method, we curate a dataset and establish evaluation metrics that are tailored to the intricacies of crystal tensor predictions. Experimental results show that our GMTNet not only achieves promising performance on crystal tensors of various orders but also generates predictions fully consistent with the intrinsic crystal symmetries. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

The radio wave propagation channel is central to the performance of wireless communication systems. In this paper, we introduce a novel machine learning-empowered methodology for wireless channel modeling. The key ingredients include a point-cloud-based neural network and a Spherical Harmonics encoder with light probes. Our approach offers several significant advantages, including the flexibility to adjust antenna radiation patterns and transmitter/receiver locations, the capability to predict radio power maps, and the scalability of large-scale wireless scenes. As a result, it lays the groundwork for an end-to-end pipeline for network planning and deployment optimization. The proposed work is validated in various outdoor and indoor radio environments.

A continual learning (CL) model is desired for remote sensing image analysis because of varying camera parameters, spectral ranges, resolutions, etc. There exist some recent initiatives to develop CL techniques in this domain but they still depend on massive labelled samples which do not fully fit remote sensing applications because ground truths are often obtained via field-based surveys. This paper addresses this problem with a proposal of unsupervised flat-wide learning approach (UNISA) for unsupervised few-shot continual learning approaches of remote sensing image scene classifications which do not depend on any labelled samples for its model updates. UNISA is developed from the idea of prototype scattering and positive sampling for learning representations while the catastrophic forgetting problem is tackled with the flat-wide learning approach combined with a ball generator to address the data scarcity problem. Our numerical study with remote sensing image scene datasets and a hyperspectral dataset confirms the advantages of our solution. Source codes of UNISA are shared publicly in \url{https://github.com/anwarmaxsum/UNISA} to allow convenient future studies and reproductions of our numerical results.