Xinling Yu

Liyan Tan, Yequan Zhao, Yifan Yang et al.

Zeroth-order (ZO) optimization is a memory-efficient alternative to backpropagation for fine-tuning large language models, but its deployment is limited by the high variance of gradient estimation. We propose GRZO, a Group-Relative Zeroth-Order optimizer that draws one pseudo-independent perturbation per mini-batch example and aggregates the per-example losses through group-relative normalization, raising the effective gradient-direction count from one to the batch size at no additional forward cost while preserving inference-level memory. We prove that GRZO is directionally unbiased with variance shrinking proportionally to the batch size, yielding a tighter nonconvex convergence bound than MeZO. Across RoBERTa-large, Llama3-8B, and OPT-13B over multiple tasks, GRZO improves average accuracy on Llama3-8B by $+3.0$ over MeZO at $23\%$ lower peak GPU memory; as a drop-in replacement for the MeZO core, it lifts sparse, low-rank, and quantized ZO variants by $+6.0$ on average.

Ziyue Liu, Yixing Li, Jing Hu et al.

Thermal issue is a major concern in 3D integrated circuit (IC) design. Thermal optimization of 3D IC often requires massive expensive PDE simulations. Neural network-based thermal prediction models can perform real-time prediction for many unseen new designs. However, existing works either solve 2D temperature fields only or do not generalize well to new designs with unseen design configurations (e.g., heat sources and boundary conditions). In this paper, for the first time, we propose DeepOHeat, a physics-aware operator learning framework to predict the temperature field of a family of heat equations with multiple parametric or non-parametric design configurations. This framework learns a functional map from the function space of multiple key PDE configurations (e.g., boundary conditions, power maps, heat transfer coefficients) to the function space of the corresponding solution (i.e., temperature fields), enabling fast thermal analysis and optimization by changing key design configurations (rather than just some parameters). We test DeepOHeat on some industrial design cases and compare it against Celsius 3D from Cadence Design Systems. Our results show that, for the unseen testing cases, a well-trained DeepOHeat can produce accurate results with $1000\times$ to $300000\times$ speedup.

Xinling Yu, Sean Hooten, Ziyue Liu et al.

Operator learning has become a powerful tool in machine learning for modeling complex physical systems governed by partial differential equations (PDEs). Although Deep Operator Networks (DeepONet) show promise, they require extensive data acquisition. Physics-informed DeepONets (PI-DeepONet) mitigate data scarcity but suffer from inefficient training processes. We introduce Separable Operator Networks (SepONet), a novel framework that significantly enhances the efficiency of physics-informed operator learning. SepONet uses independent trunk networks to learn basis functions separately for different coordinate axes, enabling faster and more memory-efficient training via forward-mode automatic differentiation. We provide a universal approximation theorem for SepONet proving the existence of a separable approximation to any nonlinear continuous operator. Then, we comprehensively benchmark its representational capacity and computational performance against PI-DeepONet. Our results demonstrate SepONet's superior performance across various nonlinear and inseparable PDEs, with SepONet's advantages increasing with problem complexity, dimension, and scale. For 1D time-dependent PDEs, SepONet achieves up to 112x faster training and 82x reduction in GPU memory usage compared to PI-DeepONet, while maintaining comparable accuracy. For the 2D time-dependent nonlinear diffusion equation, SepONet efficiently handles the complexity, achieving a 6.44% mean relative $\ell_{2}$ test error, while PI-DeepONet fails due to memory constraints. This work paves the way for extreme-scale learning of continuous mappings between infinite-dimensional function spaces. Open source code is available at \url{https://github.com/HewlettPackard/separable-operator-networks}.

Yequan Zhao, Xinling Yu, Zhixiong Chen et al.

Backward propagation (BP) is widely used to compute the gradients in neural network training. However, it is hard to implement BP on edge devices due to the lack of hardware and software resources to support automatic differentiation. This has tremendously increased the design complexity and time-to-market of on-device training accelerators. This paper presents a completely BP-free framework that only requires forward propagation to train realistic neural networks. Our technical contributions are three-fold. Firstly, we present a tensor-compressed variance reduction approach to greatly improve the scalability of zeroth-order (ZO) optimization, making it feasible to handle a network size that is beyond the capability of previous ZO approaches. Secondly, we present a hybrid gradient evaluation approach to improve the efficiency of ZO training. Finally, we extend our BP-free training framework to physics-informed neural networks (PINNs) by proposing a sparse-grid approach to estimate the derivatives in the loss function without using BP. Our BP-free training only loses little accuracy on the MNIST dataset compared with standard first-order training. We also demonstrate successful results in training a PINN for solving a 20-dim Hamiltonian-Jacobi-Bellman PDE. This memory-efficient and BP-free approach may serve as a foundation for the near-future on-device training on many resource-constraint platforms (e.g., FPGA, ASIC, micro-controllers, and photonic chips).

Ziyue Liu, Xinling Yu, Zheng Zhang

Physics-informed neural networks (PINNs) have been increasingly employed due to their capability of modeling complex physics systems. To achieve better expressiveness, increasingly larger network sizes are required in many problems. This has caused challenges when we need to train PINNs on edge devices with limited memory, computing and energy resources. To enable training PINNs on edge devices, this paper proposes an end-to-end compressed PINN based on Tensor-Train decomposition. In solving a Helmholtz equation, our proposed model significantly outperforms the original PINNs with few parameters and achieves satisfactory prediction with up to 15$\times$ overall parameter reduction.

Xinling Yu, José E. C. Serrallés, Ilias I. Giannakopoulos et al.

We propose Physics-Informed Fourier Networks for Electrical Properties (EP) Tomography (PIFON-EPT), a novel deep learning-based method for EP reconstruction using noisy and/or incomplete magnetic resonance (MR) measurements. Our approach leverages the Helmholtz equation to constrain two networks, responsible for the denoising and completion of the transmit fields, and the estimation of the object's EP, respectively. We embed a random Fourier features mapping into our networks to enable efficient learning of high-frequency details encoded in the transmit fields. We demonstrated the efficacy of PIFON-EPT through several simulated experiments at 3 and 7 tesla (T) MR imaging, and showed that our method can reconstruct physically consistent EP and transmit fields. Specifically, when only $20\%$ of the noisy measured fields were used as inputs, PIFON-EPT reconstructed the EP of a phantom with $\leq 5\%$ error, and denoised and completed the measurements with $\leq 1\%$ error. Additionally, we adapted PIFON-EPT to solve the generalized Helmholtz equation that accounts for gradients of EP between inhomogeneities. This yielded improved results at interfaces between different materials without explicit knowledge of boundary conditions. PIFON-EPT is the first method that can simultaneously reconstruct EP and transmit fields from incomplete noisy MR measurements, providing new opportunities for EPT research.

Xinling Yu, José E. C. Serrallés, Ilias I. Giannakopoulos et al.

Electrical properties (EP), namely permittivity and electric conductivity, dictate the interactions between electromagnetic waves and biological tissue. EP can be potential biomarkers for pathology characterization, such as cancer, and improve therapeutic modalities, such radiofrequency hyperthermia and ablation. MR-based electrical properties tomography (MR-EPT) uses MR measurements to reconstruct the EP maps. Using the homogeneous Helmholtz equation, EP can be directly computed through calculations of second order spatial derivatives of the measured magnetic transmit or receive fields $(B_{1}^{+}, B_{1}^{-})$. However, the numerical approximation of derivatives leads to noise amplifications in the measurements and thus erroneous reconstructions. Recently, a noise-robust supervised learning-based method (DL-EPT) was introduced for EP reconstruction. However, the pattern-matching nature of such network does not allow it to generalize for new samples since the network's training is done on a limited number of simulated data. In this work, we leverage recent developments on physics-informed deep learning to solve the Helmholtz equation for the EP reconstruction. We develop deep neural network (NN) algorithms that are constrained by the Helmholtz equation to effectively de-noise the $B_{1}^{+}$ measurements and reconstruct EP directly at an arbitrarily high spatial resolution without requiring any known $B_{1}^{+}$ and EP distribution pairs.

Xinling Yu, Ziyue Liu, Hai Li et al.

Thermal analysis is crucial in 3D-IC design due to increased power density and complex heat dissipation paths. Although operator learning frameworks such as DeepOHeat~\cite{liu2023deepoheat} have demonstrated promising preliminary results in accelerating thermal simulation, they face critical limitations in prediction capability for multi-scale thermal patterns, training efficiency, and trustworthiness of results during design optimization. This paper presents DeepOHeat-v1, an enhanced physics-informed operator learning framework that addresses these challenges through three key innovations. First, we integrate Kolmogorov-Arnold Networks with learnable activation functions as trunk networks, enabling an adaptive representation of multi-scale thermal patterns. This approach achieves a 1.25x and 6.29x reduction in error in two representative test cases. Second, we introduce a separable training method that decomposes the basis function along the coordinate axes, achieving 62x training speedup and 31x GPU memory reduction in our baseline case, and enabling thermal analysis at resolutions previously infeasible due to GPU memory constraints. Third, we propose a confidence score to evaluate the trustworthiness of the predicted results, and further develop a hybrid optimization workflow that combines operator learning with finite difference (FD) using Generalized Minimal Residual (GMRES) method for incremental solution refinement, enabling efficient and trustworthy thermal optimization. Experimental results demonstrate that DeepOHeat-v1 achieves accuracy comparable to optimization using high-fidelity finite difference solvers, while speeding up the entire optimization process by $70.6\times$ in our test cases, effectively minimizing the peak temperature through optimal placement of heat-generating components. Open source code is available at https://github.com/xlyu0127/DeepOHeat-v1.

Sifan Wang, Xinling Yu, Paris Perdikaris

Physics-informed neural networks (PINNs) have lately received great attention thanks to their flexibility in tackling a wide range of forward and inverse problems involving partial differential equations. However, despite their noticeable empirical success, little is known about how such constrained neural networks behave during their training via gradient descent. More importantly, even less is known about why such models sometimes fail to train at all. In this work, we aim to investigate these questions through the lens of the Neural Tangent Kernel (NTK); a kernel that captures the behavior of fully-connected neural networks in the infinite width limit during training via gradient descent. Specifically, we derive the NTK of PINNs and prove that, under appropriate conditions, it converges to a deterministic kernel that stays constant during training in the infinite-width limit. This allows us to analyze the training dynamics of PINNs through the lens of their limiting NTK and find a remarkable discrepancy in the convergence rate of the different loss components contributing to the total training error. To address this fundamental pathology, we propose a novel gradient descent algorithm that utilizes the eigenvalues of the NTK to adaptively calibrate the convergence rate of the total training error. Finally, we perform a series of numerical experiments to verify the correctness of our theory and the practical effectiveness of the proposed algorithms. The data and code accompanying this manuscript are publicly available at \url{https://github.com/PredictiveIntelligenceLab/PINNsNTK}.

Yequan Zhao, Xian Xiao, Xinling Yu et al.

Solving partial differential equations (PDEs) numerically often requires huge computing time, energy cost, and hardware resources in practical applications. This has limited their applications in many scenarios (e.g., autonomous systems, supersonic flows) that have a limited energy budget and require near real-time response. Leveraging optical computing, this paper develops an on-chip training framework for physics-informed neural networks (PINNs), aiming to solve high-dimensional PDEs with fJ/MAC photonic power consumption and ultra-low latency. Despite the ultra-high speed of optical neural networks, training a PINN on an optical chip is hard due to (1) the large size of photonic devices, and (2) the lack of scalable optical memory devices to store the intermediate results of back-propagation (BP). To enable realistic optical PINN training, this paper presents a scalable method to avoid the BP process. We also employ a tensor-compressed approach to improve the convergence and scalability of our optical PINN training. This training framework is designed with tensorized optical neural networks (TONN) for scalable inference acceleration and MZI phase-domain tuning for \textit{in-situ} optimization. Our simulation results of a 20-dim HJB PDE show that our photonic accelerator can reduce the number of MZIs by a factor of $1.17\times 10^3$, with only $1.36$ J and $1.15$ s to solve this equation. This is the first real-size optical PINN training framework that can be applied to solve high-dimensional PDEs.

Jin Lee, Ziming Liu, Xinling Yu et al.

We introduce Kolmogorov--Arnold Neural Operator (KANO), a dual-domain neural operator jointly parameterized by both spectral and spatial bases with intrinsic symbolic interpretability. We theoretically demonstrate that KANO overcomes the pure-spectral bottleneck of Fourier Neural Operator (FNO): KANO remains expressive over generic position-dependent dynamics (variable coefficient PDEs) for any physical input, whereas FNO stays practical only for spectrally sparse operators and strictly imposes a fast-decaying input Fourier tail. We verify our claims empirically on position-dependent differential operators, for which KANO robustly generalizes but FNO fails to. In the quantum Hamiltonian learning benchmark, KANO reconstructs ground-truth Hamiltonians in closed-form symbolic representations accurate to the fourth decimal place in coefficients and attains $\approx 6\times10^{-6}$ state infidelity from projective measurement data, substantially outperforming that of the FNO trained with ideal full wave function data, $\approx 1.5\times10^{-2}$, by orders of magnitude.

Yequan Zhao, Xinling Yu, Xian Xiao et al.

Physics-informed neural networks (PINNs) have shown promise in solving partial differential equations (PDEs), with growing interest in their energy-efficient, real-time training on edge devices. Photonic computing offers a potential solution to achieve this goal because of its ultra-high operation speed. However, the lack of photonic memory and the large device sizes prevent training real-size PINNs on photonic chips. This paper proposes a completely back-propagation-free (BP-free) and highly salable framework for training real-size PINNs on silicon photonic platforms. Our approach involves three key innovations: (1) a sparse-grid Stein derivative estimator to avoid the BP in the loss evaluation of a PINN, (2) a dimension-reduced zeroth-order optimization via tensor-train decomposition to achieve better scalability and convergence in BP-free training, and (3) a scalable on-chip photonic PINN training accelerator design using photonic tensor cores. We validate our numerical methods on both low- and high-dimensional PDE benchmarks. Through circuit simulation based on real device parameters, we further demonstrate the significant performance benefit (e.g., real-time training, huge chip area reduction) of our photonic accelerator.

Yequan Zhao, Xian Xiao, Antoine Descos et al.

Partial differential equation (PDE) is an important math tool in science and engineering. This paper experimentally demonstrates an optical neural PDE solver by leveraging the back-propagation-free on-photonic-chip training of physics-informed neural networks.