arXiv subjects

Yijie Yang

Publications and source records attributed to Yijie Yang.

10 recordsLinked to original sources

arXiv2026

Grid-Interactive Thermal Management of AI Data Centers via Contextual Distributionally Robust Optimization

Thermal management in AI data centers is increasingly challenged by bursty workloads and uncertain heat generation. To prevent thermal violations, existing cooling strategies either enforce conservative, rigid bounds that severely limit grid responsiveness, or rely on forecast-driven controllers that perform poorly under AI workload uncertainty and distribution shifts. To overcome the above challenges, this paper proposes a Contextual Distributionally Robust Optimization (CDRO) framework for grid-interactive cooling control. Unlike standard DRO with fixed ambiguity sets, the proposed approach dynamically adapts the Wasserstein radius using real-time AI and grid context. This safely shrinks uncertainty bounds during stable regimes, unlocking deep demand-side flexibility. Theoretically, we formulate the control as an infinite-dimensional inf-sup problem, derive an exact tractable reformulation for the Wasserstein worst-case expected-cost term, and then derive a tractable conservative deterministic counterpart for the Distributionally Robust Conditional Value at Risk (DR-CVaR) thermal safety constraint. Solved via a scalable nested Alternating Direction Method of Multipliers (ADMM) algorithm, the CDRO controller achieves near-zero thermal violations under extreme workload spikes in high-fidelity EnergyPlus co-simulations. Simultaneously, it reduces the operational cost premium of robustness by approximately 13.7 percentage points relative to standard Min-Max Model Predictive Control (MPC).

eess.SY↗

arXiv2026

Contextual Robust Optimization for AI Data Center Scheduling with Statistical Guarantees

The rapid growth of AI workloads is substantially increasing data center electricity demand and carbon emissions, motivating the development of carbon-aware scheduling methods. However, effective scheduling is challenging because renewable generation and AI workloads are subject to forecast errors, while training and inference workloads exhibit heterogeneity in computational characteristics. This paper proposes a contextual robust optimization framework for AI data center operation. The proposed model explicitly captures the heterogeneous computational characteristics of AI training and inference workloads. To deal with renewable generation and workload forecast errors, we develop loss-based uncertainty learning models that directly map contextual features to covariate-dependent uncertainty sets. The resulting contextual joint chance-constrained scheduling problem is reformulated into a tractable robust optimization problem, and a calibration algorithm is developed to provide finite-sample probabilistic feasibility guarantees for multiple joint chance constraints. Numerical experiments based on real-world AI workload traces and renewable generation data show that the proposed method reduces operating costs by an average of 5.57% compared to benchmark methods while maintaining reliable feasibility and strong computational scalability.

math.OC↗

arXiv2026

PolyMon: A Unified Framework for Polymer Property Prediction

Accurate prediction of polymer properties is essential for materials design, but remains challenging due to data scarcity, diverse polymer representations, and the lack of systematic evaluation across modelling choices. Here, we present PolyMon, a unified and accessible framework that integrates multiple polymer representations, machine learning methods, and training strategies within a single, accessible platform. PolyMon supports various descriptors and graph construction strategies for polymer representations, and includes a wide range of models, from tabular models to graph neural networks, along with flexible training strategies including multi-fidelity learning, {\Delta}-learning, active learning, and ensemble learning. Using five key polymer properties as benchmarks, we perform systematic evaluations to assess how representations and models affect predictive performance. These case studies further illustrate how different training strategies can be applied within a consistent workflow to leverage limited data and incorporate physical model derived information. Overall, PolyMon provides a comprehensive and extensible foundation for benchmarking and advancing machine learning-based polymer property prediction. The code is available at github.com/fate1997/polymon.

cond-mat.soft↗

arXiv2025

A Conformal Prediction-Based Chance-Constrained Programming Approach for 24/7 Carbon-Free Data Center Operation Scheduling

The rapid growth of AI applications is dramatically increasing data center energy demand, exacerbating carbon emissions, and necessitating a shift towards 24/7 carbon-free energy (CFE). Unlike traditional annual energy matching, 24/7 CFE requires matching real-time electricity consumption with clean energy generation every hour, presenting significant challenges due to the inherent variability and forecasting errors of renewable energy sources. Traditional robust and data-driven optimization methods often fail to leverage the features of the prediction model (also known as contextual or covariate information) when constructing the uncertainty set, leading to overly conservative operational decisions. This paper proposes a comprehensive approach for 24/7 CFE data center operation scheduling, focusing on robust decision-making under renewable generation uncertainty. This framework leverages covariate information through a multi-variable conformal prediction (CP) technique to construct statistically valid and adaptive uncertainty sets for renewable forecasts. The uncertainty sets directly inform the chance-constrained programming (CCP) problem, ensuring that chance constraints are met with a specified probability. We further establish theoretical underpinnings connecting the CP-generated uncertainty sets to the statistical feasibility guarantees of the CCP. Numerical results highlight the benefits of this covariate-aware approach, demonstrating up to 6.65% cost reduction and 6.96% decrease in carbon-based energy usage compared to conventional covariate-independent methods, thereby enabling data centers to progress toward 24/7 CEF.

eess.SY↗

arXiv2024

PolyCL: Contrastive Learning for Polymer Representation Learning via Explicit and Implicit Augmentations

Polymers play a crucial role in a wide array of applications due to their diverse and tunable properties. Establishing the relationship between polymer representations and their properties is crucial to the computational design and screening of potential polymers via machine learning. The quality of the representation significantly influences the effectiveness of these computational methods. Here, we present a self-supervised contrastive learning paradigm, PolyCL, for learning high-quality polymer representation without the need for labels. Our model combines explicit and implicit augmentation strategies for improved learning performance. The results demonstrate that our model achieves either better, or highly competitive, performances on transfer learning tasks as a feature extractor without an overcomplicated training strategy or hyperparameter optimisation. Further enhancing the efficacy of our model, we conducted extensive analyses on various augmentation combinations used in contrastive learning. This led to identifying the most effective combination to maximise PolyCL's performance.

cs.LG↗

arXiv2024

Expressive Keypoints for Skeleton-based Action Recognition via Skeleton Transformation

In the realm of skeleton-based action recognition, the traditional methods which rely on coarse body keypoints fall short of capturing subtle human actions. In this work, we propose Expressive Keypoints that incorporates hand and foot details to form a fine-grained skeletal representation, improving the discriminative ability for existing models in discerning intricate actions. To efficiently model Expressive Keypoints, the Skeleton Transformation strategy is presented to gradually downsample the keypoints and prioritize prominent joints by allocating the importance weights. Additionally, a plug-and-play Instance Pooling module is exploited to extend our approach to multi-person scenarios without surging computation costs. Extensive experimental results over seven datasets present the superiority of our method compared to the state-of-the-art for skeleton-based human action recognition. Code is available at https://github.com/YijieYang23/SkeleT-GCN.

cs.CV↗

arXiv2024

Low-resolution Prior Equilibrium Network for CT Reconstruction

The unrolling method has been investigated for learning variational models in X-ray computed tomography. However, it has been observed that directly unrolling the regularization model through gradient descent does not produce satisfactory results. In this paper, we present a novel deep learning-based CT reconstruction model, where the low-resolution image is introduced to obtain an effective regularization term for improving the network`s robustness. Our approach involves constructing the backbone network architecture by algorithm unrolling that is realized using the deep equilibrium architecture. We theoretically discuss the convergence of the proposed low-resolution prior equilibrium model and provide the conditions to guarantee convergence. Experimental results on both sparse-view and limited-angle reconstruction problems are provided, demonstrating that our end-to-end low-resolution prior equilibrium model outperforms other state-of-the-art methods in terms of noise reduction, contrast-to-noise ratio, and preservation of edge details.

eess.IV↗

arXiv2023

Embodied Carbon Accounting through Spatial-Temporal Embodied Carbon Models

Embodied carbon is the total carbon released from the processes associated with a product from cradle to gate. In many industry sectors, embodied carbon dominates the overall carbon footprint. Embodied carbon accounting, i.e., to estimate the embodied carbon of a product, has become an important research topic. Existing studies derive the embodied carbon through life cycle analysis (LCA) reports. Current LCA reports only provide the carbon emission of a product class, e.g., 28nm CPU, yet a product instance can be manufactured from diverse regions and in diverse time periods, e.g., a winter period of Ireland (Intel). It is known that the carbon emission depends on the electricity generation process which has spatial and temporal dynamics. Therefore, the embodied carbon of a specific product instance can largely differ from its product class. In this paper, we present new spatial-temporal embodied carbon models for embodied carbon accounting. We observe significant differences between current embodied carbon models and our spatial-temporal embodied carbon models, e.g., for 7nm CPU the difference can be 13.69%.

cs.AR↗

arXiv2022

Identifying Operation Equilibrium in Integrated Electricity, Natural Gas, and Carbon-Emission Markets

The decarbonization of the power sector plays a pivotal role in economy-wide decarbonization to set the world on track to limit warming to 1.5°C by 2050. Carbon emission markets can play a significant role in this transition by putting a price on carbon and giving electricity producers an incentive to reduce their emissions. In this paper, we study the operational equilibrium of an integrated regional/jurisdictional energy system that comprises an electricity market, a natural gas market, and a carbon emission market. We first propose the novel role of a regional carbon market operator (CMO). Different than the conventional cap-and-trade carbon trading mechanism, the proposed CMO manages carbon allowance trading in a centralized jurisdictional carbon emission market. We then develop the formulation to identify the operational equilibrium of the electricity, natural gas, and carbon emission markets based on their interactions. The proposed equilibrium can be obtained by solving the Karush-Kuhn-Tucker (KKT) conditions of all three operational models simultaneously. Simulation results demonstrate that the proposed approach is more flexible, consistent, and effective in mitigating carbon emissions compared with the cap-and-trade mechanism.

eess.SY↗

arXiv2019

A General Data Renewal Model for Prediction Algorithms in Industrial Data Analytics

In industrial data analytics, one of the fundamental problems is to utilize the temporal correlation of the industrial data to make timely predictions in the production process, such as fault prediction and yield prediction. However, the traditional prediction models are fixed while the conditions of the machines change over time, thus making the errors of predictions increase with the lapse of time. In this paper, we propose a general data renewal model to deal with it. Combined with the similarity function and the loss function, it estimates the time of updating the existing prediction model, then updates it according to the evaluation function iteratively and adaptively. We have applied the data renewal model to two prediction algorithms. The experiments demonstrate that the data renewal model can effectively identify the changes of data, update and optimize the prediction model so as to improve the accuracy of prediction.

cs.LG↗