Haiyang He

Rishikesh Ranade, Haiyang He, Jay Pathak et al.

Thermal analysis provides deeper insights into electronic chips behavior under different temperature scenarios and enables faster design exploration. However, obtaining detailed and accurate thermal profile on chip is very time-consuming using FEM or CFD. Therefore, there is an urgent need for speeding up the on-chip thermal solution to address various system scenarios. In this paper, we propose a thermal machine-learning (ML) solver to speed-up thermal simulations of chips. The thermal ML-Solver is an extension of the recent novel approach, CoAEMLSim (Composable Autoencoder Machine Learning Simulator) with modifications to the solution algorithm to handle constant and distributed HTC. The proposed method is validated against commercial solvers, such as Ansys MAPDL, as well as a latest ML baseline, UNet, under different scenarios to demonstrate its enhanced accuracy, scalability, and generalizability.

Yu-Chen Lin, Akhilesh Kumar, Norman Chang et al.

We present four main contributions to enhance the performance of Large Language Models (LLMs) in generating domain-specific code: (i) utilizing LLM-based data splitting and data renovation techniques to improve the semantic representation of embeddings' space; (ii) introducing the Chain of Density for Renovation Credibility (CoDRC), driven by LLMs, and the Adaptive Text Renovation (ATR) algorithm for assessing data renovation reliability; (iii) developing the Implicit Knowledge Expansion and Contemplation (IKEC) Prompt technique; and (iv) effectively refactoring existing scripts to generate new and high-quality scripts with LLMs. By using engineering simulation software RedHawk-SC as a case study, we demonstrate the effectiveness of our data pre-processing method for expanding and categorizing scripts. When combined with IKEC, these techniques enhance the Retrieval-Augmented Generation (RAG) method in retrieving more relevant information, ultimately achieving a 73.33% "Percentage of Correct Lines" for code generation problems in MapReduce applications.

Zuhong Lin, Daoyuan Ren, Kai Ran et al.

Accurately identifying the synthesis conditions of metal-organic frameworks (MOFs) is essential for guiding experimental design, yet remains challenging because relevant information in the literature is often scattered, inconsistent, and difficult to interpret. We present MOFh6, a large language model driven system that reads raw articles or crystal codes and converts them into standardized synthesis tables. It links related descriptions across paragraphs, unifies ligand abbreviations with full names, and outputs structured parameters ready for use. MOFh6 achieved 99% extraction accuracy, resolved 94.1% of abbreviation cases across five major publishers, and maintained a precision of 0.93 +/- 0.01. Processing a full text takes 9.6 s, locating synthesis descriptions 36 s, with 100 papers processed for USD 4.24. By replacing static database lookups with real-time extraction, MOFh6 reshapes MOF synthesis research, accelerating the conversion of literature knowledge into practical synthesis protocols and enabling scalable, data-driven materials discovery.

Rishikesh Ranade, Chris Hill, Haiyang He et al.

Numerical simulations for engineering applications solve partial differential equations (PDE) to model various physical processes. Traditional PDE solvers are very accurate but computationally costly. On the other hand, Machine Learning (ML) methods offer a significant computational speedup but face challenges with accuracy and generalization to different PDE conditions, such as geometry, boundary conditions, initial conditions and PDE source terms. In this work, we propose a novel ML-based approach, CoAE-MLSim (Composable AutoEncoder Machine Learning Simulation), which is an unsupervised, lower-dimensional, local method, that is motivated from key ideas used in commercial PDE solvers. This allows our approach to learn better with relatively fewer samples of PDE solutions. The proposed ML-approach is compared against commercial solvers for better benchmarks as well as latest ML-approaches for solving PDEs. It is tested for a variety of complex engineering cases to demonstrate its computational speed, accuracy, scalability, and generalization across different PDE conditions. The results show that our approach captures physics accurately across all metrics of comparison (including measures such as results on section cuts and lines).

Amir Maleki, Jan Heyse, Rishikesh Ranade et al.

We present a notion of geometry encoding suitable for machine learning-based numerical simulation. In particular, we delineate how this notion of encoding is different than other encoding algorithms commonly used in other disciplines such as computer vision and computer graphics. We also present a model comprised of multiple neural networks including a processor, a compressor and an evaluator.These parts each satisfy a particular requirement of our encoding. We compare our encoding model with the analogous models in the literature

Anran Jiao, Haiyang He, Rishikesh Ranade et al.

Learning and solving governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in a variety of areas of science and engineering. Traditional numerical methods for solving PDEs can be computationally expensive for complex systems and require the complete PDEs of the physical system. On the other hand, current data-driven machine learning methods require a large amount of data to learn a surrogate model of the PDE solution operator, which could be impractical. Here, we propose the first solution operator learning method that only requires one PDE solution, i.e., one-shot learning. By leveraging the principle of locality of PDEs, we consider small local domains instead of the entire computational domain and define a local solution operator. The local solution operator is then trained using a neural network, and utilized to predict the solution of a new input function via mesh-based fixed-point iteration (FPI), meshfree local-solution-operator informed neural network (LOINN) or local-solution-operator informed neural network with correction (cLOINN). We test our method on diverse PDEs, including linear or nonlinear PDEs, PDEs defined on complex geometries, and PDE systems, demonstrating the effectiveness and generalization capabilities of our method across these varied scenarios.

Rishikesh Ranade, Chris Hill, Haiyang He et al.

In this work we propose a hybrid solver to solve partial differential equation (PDE)s in the latent space. The solver uses an iterative inferencing strategy combined with solution initialization to improve generalization of PDE solutions. The solver is tested on an engineering case and the results show that it can generalize well to several PDE conditions.

Youcef Nafa, Qun Chen, Zhaoqiang Chen et al.

While the state-of-the-art performance on entity resolution (ER) has been achieved by deep learning, its effectiveness depends on large quantities of accurately labeled training data. To alleviate the data labeling burden, Active Learning (AL) presents itself as a feasible solution that focuses on data deemed useful for model training. Building upon the recent advances in risk analysis for ER, which can provide a more refined estimate on label misprediction risk than the simpler classifier outputs, we propose a novel AL approach of risk sampling for ER. Risk sampling leverages misprediction risk estimation for active instance selection. Based on the core-set characterization for AL, we theoretically derive an optimization model which aims to minimize core-set loss with non-uniform Lipschitz continuity. Since the defined weighted K-medoids problem is NP-hard, we then present an efficient heuristic algorithm. Finally, we empirically verify the efficacy of the proposed approach on real data by a comparative study. Our extensive experiments have shown that it outperforms the existing alternatives by considerable margins. Using ER as a test case, we demonstrate that risk sampling is a promising approach potentially applicable to other challenging classification tasks.

Haiyang He, Jay Pathak

Solving heat transfer equations on chip becomes very critical in the upcoming 5G and AI chip-package-systems. However, batches of simulations have to be performed for data driven supervised machine learning models. Data driven methods are data hungry, to address this, Physics Informed Neural Networks (PINN) have been proposed. However, vanilla PINN models solve one fixed heat equation at a time, so the models have to be retrained for heat equations with different source terms. Additionally, issues related to multi-objective optimization have to be resolved while using PINN to minimize the PDE residual, satisfy boundary conditions and fit the observed data etc. Therefore, this paper investigates an unsupervised learning approach for solving heat transfer equations on chip without using solution data and generalizing the trained network for predicting solutions for heat equations with unseen source terms. Specifically, a hybrid framework of Auto Encoder (AE) and Image Gradient (IG) based network is designed. The AE is used to encode different source terms of the heat equations. The IG based network implements a second order central difference algorithm for structured grids and minimizes the PDE residual. The effectiveness of the designed network is evaluated by solving heat equations for various use cases. It is proved that with limited number of source terms to train the AE network, the framework can not only solve the given heat transfer problems with a single training process, but also make reasonable predictions for unseen cases (heat equations with new source terms) without retraining.