MAPS: Multi-Fidelity AI-Augmented Photonic Simulation and Inverse Design Infrastructure

Inverse design has emerged as a transformative approach for photonic device optimization, enabling the exploration of high-dimensional, non-intuitive design spaces to create ultra-compact devices and advance photonic integrated circuits (PICs) in computing and interconnects. However, practical challenges, such as suboptimal device performance, limited manufacturability, high sensitivity to variations, computational inefficiency, and lack of interpretability, have hindered its adoption in commercial hardware. Recent advancements in AI-assisted photonic simulation and design offer transformative potential, accelerating simulations and design generation by orders of magnitude over traditional numerical methods. Despite these breakthroughs, the lack of an open-source, standardized infrastructure and evaluation benchmark limits accessibility and cross-disciplinary collaboration. To address this, we introduce MAPS, a multi-fidelity AI-augmented photonic simulation and inverse design infrastructure designed to bridge this gap. MAPS features three synergistic components: (1) MAPS-Data: A dataset acquisition framework for generating multi-fidelity, richly labeled devices, providing high-quality data for AI-for-optics research. (2) MAPS-Train: A flexible AI-for-photonics training framework offering a hierarchical data loading pipeline, customizable model construction, support for data- and physics-driven losses, and comprehensive evaluations. (3) MAPS-InvDes: An advanced adjoint inverse design toolkit that abstracts complex physics but exposes flexible optimization steps, integrates pre-trained AI models, and incorporates fabrication variation models. This infrastructure MAPS provides a unified, open-source platform for developing, benchmarking, and advancing AI-assisted photonic design workflows, accelerating innovation in photonic hardware optimization and scientific machine learning.

REG: Rectified Gradient Guidance for Conditional Diffusion Models

Guidance techniques are simple yet effective for improving conditional generation in diffusion models. Albeit their empirical success, the practical implementation of guidance diverges significantly from its theoretical motivation. In this paper, we reconcile this discrepancy by replacing the scaled marginal distribution target, which we prove theoretically invalid, with a valid scaled joint distribution objective. Additionally, we show that the established guidance implementations are approximations to the intractable optimal solution under no future foresight constraint. Building on these theoretical insights, we propose rectified gradient guidance (REG), a versatile enhancement designed to boost the performance of existing guidance methods. Experiments on 1D and 2D demonstrate that REG provides a better approximation to the optimal solution than prior guidance techniques, validating the proposed theoretical framework. Extensive experiments on class-conditional ImageNet and text-to-image generation tasks show that incorporating REG consistently improves FID and Inception/CLIP scores across various settings compared to its absence.

PIC2O-Sim: A Physics-Inspired Causality-Aware Dynamic Convolutional Neural Operator for Ultra-Fast Photonic Device FDTD Simulation

The finite-difference time-domain (FDTD) method, which is important in photonic hardware design flow, is widely adopted to solve time-domain Maxwell equations. However, FDTD is known for its prohibitive runtime cost, taking minutes to hours to simulate a single device. Recently, AI has been applied to realize orders-of-magnitude speedup in partial differential equation (PDE) solving. However, AI-based FDTD solvers for photonic devices have not been clearly formulated. Directly applying off-the-shelf models to predict the optical field dynamics shows unsatisfying fidelity and efficiency since the model primitives are agnostic to the unique physical properties of Maxwell equations and lack algorithmic customization. In this work, we thoroughly investigate the synergy between neural operator designs and the physical property of Maxwell equations and introduce a physics-inspired AI-based FDTD prediction framework PIC2O-Sim which features a causality-aware dynamic convolutional neural operator as its backbone model that honors the space-time causality constraints via careful receptive field configuration and explicitly captures the permittivity-dependent light propagation behavior via an efficient dynamic convolution operator. Meanwhile, we explore the trade-offs among prediction scalability, fidelity, and efficiency via a multi-stage partitioned time-bundling technique in autoregressive prediction. Multiple key techniques have been introduced to mitigate iterative error accumulation while maintaining efficiency advantages during autoregressive field prediction. Extensive evaluations on three challenging photonic device simulation tasks have shown the superiority of our PIC2O-Sim method, showing 51.2% lower roll-out prediction error, 23.5 times fewer parameters than state-of-the-art neural operators, providing 300-600x higher simulation speed than an open-source FDTD numerical solver.

Rare Event Probability Learning by Normalizing Flows

A rare event is defined by a low probability of occurrence. Accurate estimation of such small probabilities is of utmost importance across diverse domains. Conventional Monte Carlo methods are inefficient, demanding an exorbitant number of samples to achieve reliable estimates. Inspired by the exact sampling capabilities of normalizing flows, we revisit this challenge and propose normalizing flow assisted importance sampling, termed NOFIS. NOFIS first learns a sequence of proposal distributions associated with predefined nested subset events by minimizing KL divergence losses. Next, it estimates the rare event probability by utilizing importance sampling in conjunction with the last proposal. The efficacy of our NOFIS method is substantiated through comprehensive qualitative visualizations, affirming the optimality of the learned proposal distribution, as well as a series of quantitative experiments encompassing $10$ distinct test cases, which highlight NOFIS's superiority over baseline approaches.

KirchhoffNet: A Circuit Bridging Message Passing and Continuous-Depth Models

In this paper, we exploit a fundamental principle of analog electronic circuitry, Kirchhoff's current law, to introduce a unique class of neural network models that we refer to as KirchhoffNet. KirchhoffNet establishes close connections with message passing neural networks and continuous-depth networks. We demonstrate that even in the absence of any traditional layers (such as convolution, pooling, or linear layers), KirchhoffNet attains 98.86% test accuracy on the MNIST dataset, comparable with state of the art (SOTA) results. What makes KirchhoffNet more intriguing is its potential in the realm of hardware. Contemporary deep neural networks are conventionally deployed on GPUs. In contrast, KirchhoffNet can be physically realized by an analog electronic circuit. Moreover, we justify that irrespective of the number of parameters within a KirchhoffNet, its forward calculation can always be completed within 1/f seconds, with f representing the hardware's clock frequency. This characteristic introduces a promising technology for implementing ultra-large-scale neural networks.

Nominality Score Conditioned Time Series Anomaly Detection by Point/Sequential Reconstruction

Time series anomaly detection is challenging due to the complexity and variety of patterns that can occur. One major difficulty arises from modeling time-dependent relationships to find contextual anomalies while maintaining detection accuracy for point anomalies. In this paper, we propose a framework for unsupervised time series anomaly detection that utilizes point-based and sequence-based reconstruction models. The point-based model attempts to quantify point anomalies, and the sequence-based model attempts to quantify both point and contextual anomalies. Under the formulation that the observed time point is a two-stage deviated value from a nominal time point, we introduce a nominality score calculated from the ratio of a combined value of the reconstruction errors. We derive an induced anomaly score by further integrating the nominality score and anomaly score, then theoretically prove the superiority of the induced anomaly score over the original anomaly score under certain conditions. Extensive studies conducted on several public datasets show that the proposed framework outperforms most state-of-the-art baselines for time series anomaly detection.

NeurOLight: A Physics-Agnostic Neural Operator Enabling Parametric Photonic Device Simulation

Optical computing is an emerging technology for next-generation efficient artificial intelligence (AI) due to its ultra-high speed and efficiency. Electromagnetic field simulation is critical to the design, optimization, and validation of photonic devices and circuits. However, costly numerical simulation significantly hinders the scalability and turn-around time in the photonic circuit design loop. Recently, physics-informed neural networks have been proposed to predict the optical field solution of a single instance of a partial differential equation (PDE) with predefined parameters. Their complicated PDE formulation and lack of efficient parametrization mechanisms limit their flexibility and generalization in practical simulation scenarios. In this work, for the first time, a physics-agnostic neural operator-based framework, dubbed NeurOLight, is proposed to learn a family of frequency-domain Maxwell PDEs for ultra-fast parametric photonic device simulation. We balance the efficiency and generalization of NeurOLight via several novel techniques. Specifically, we discretize different devices into a unified domain, represent parametric PDEs with a compact wave prior, and encode the incident light via masked source modeling. We design our model with parameter-efficient cross-shaped NeurOLight blocks and adopt superposition-based augmentation for data-efficient learning. With these synergistic approaches, NeurOLight generalizes to a large space of unseen simulation settings, demonstrates 2-orders-of-magnitude faster simulation speed than numerical solvers, and outperforms prior neural network models by ~54% lower prediction error with ~44% fewer parameters. Our code is available at https://github.com/JeremieMelo/NeurOLight.

Learning from Multiple Annotator Noisy Labels via Sample-wise Label Fusion

Data lies at the core of modern deep learning. The impressive performance of supervised learning is built upon a base of massive accurately labeled data. However, in some real-world applications, accurate labeling might not be viable; instead, multiple noisy labels (instead of one accurate label) are provided by several annotators for each data sample. Learning a classifier on such a noisy training dataset is a challenging task. Previous approaches usually assume that all data samples share the same set of parameters related to annotator errors, while we demonstrate that label error learning should be both annotator and data sample dependent. Motivated by this observation, we propose a novel learning algorithm. The proposed method displays superiority compared with several state-of-the-art baseline methods on MNIST, CIFAR-100, and ImageNet-100. Our code is available at: https://github.com/zhengqigao/Learning-from-Multiple-Annotator-Noisy-Labels.

FreDo: Frequency Domain-based Long-Term Time Series Forecasting

The ability to forecast far into the future is highly beneficial to many applications, including but not limited to climatology, energy consumption, and logistics. However, due to noise or measurement error, it is questionable how far into the future one can reasonably predict. In this paper, we first mathematically show that due to error accumulation, sophisticated models might not outperform baseline models for long-term forecasting. To demonstrate, we show that a non-parametric baseline model based on periodicity can actually achieve comparable performance to a state-of-the-art Transformer-based model on various datasets. We further propose FreDo, a frequency domain-based neural network model that is built on top of the baseline model to enhance its performance and which greatly outperforms the state-of-the-art model. Finally, we validate that the frequency domain is indeed better by comparing univariate models trained in the frequency v.s. time domain.

Adjusting for Autocorrelated Errors in Neural Networks for Time Series Regression and Forecasting

In many cases, it is difficult to generate highly accurate models for time series data using a known parametric model structure. In response, an increasing body of research focuses on using neural networks to model time series approximately. A common assumption in training neural networks on time series is that the errors at different time steps are uncorrelated. However, due to the temporality of the data, errors are actually autocorrelated in many cases, which makes such maximum likelihood estimation inaccurate. In this paper, we propose to learn the autocorrelation coefficient jointly with the model parameters in order to adjust for autocorrelated errors. For time series regression, large-scale experiments indicate that our method outperforms the Prais-Winsten method, especially when the autocorrelation is strong. Furthermore, we broaden our method to time series forecasting and apply it with various state-of-the-art models. Results across a wide range of real-world datasets show that our method enhances performance in almost all cases.