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.

Modeling disease progression through multiple stages is critical for clinical decision-making for chronic diseases, e.g., cancer, diabetes, chronic kidney diseases, and so on. Existing approaches often model the disease progression as a uniform trajectory pattern at the population level. However, chronic diseases are highly heterogeneous and often have multiple progression patterns depending on a patient's individual genetics and environmental effects due to lifestyles. We propose a personalized disease progression model to jointly learn the heterogeneous progression patterns and groups of genetic profiles. In particular, an end-to-end pipeline is designed to simultaneously infer the characteristics of patients from genetic markers using a variational autoencoder and how it drives the disease progressions using an RNN-based state-space model based on clinical observations. Our proposed model shows improvement on real-world and synthetic clinical data.

Large language models, such as ChatGPT, Claude, or LLaMA, are gigantic, monolithic, and possess the superpower to simultaneously support thousands of tasks. However, high-throughput applications often prefer smaller task-specific models because of their lower latency and cost. One challenge of using task-specific models is the incremental need for solving newer tasks after the model is already deployed for existing tasks. A straightforward solution requires fine-tuning the model again for both existing and new tasks, which is computationally expensive and time-consuming. To address this issue, we propose a model merging based approach called SUPERMERGE. SUPERMERGE is a gradient-based method to systematically merge several fine-tuned models trained on existing and new tasks. SUPERMERGE is designed to be lightweight and fast, and the merged model achieves similar performance to fully fine-tuned models on all tasks. Furthermore, we proposed a hierarchical model merging strategy to reduce the peak space requirement without sacrificing the performance of the merged model. We experimentally demonstrate that SUPERMERGE outperforms existing model merging methods on common natural language processing and computer vision tasks.

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.

Exploding predictive AI has enabled fast yet effective evaluation and decision-making in modern chip physical design flows. State-of-the-art frameworks typically include the objective of minimizing the mean square error (MSE) between the prediction and the ground truth. We argue the averaging effect of MSE induces limitations in both model training and deployment, and good MSE behavior does not guarantee the capability of these models to assist physical design flows which are likely sabotaged due to a small portion of prediction error. To address this, we propose mini-pixel batch gradient descent (MPGD), a plug-and-play optimization algorithm that takes the most informative entries into consideration, offering probably faster and better convergence. Experiments on representative benchmark suits show the significant benefits of MPGD on various physical design prediction tasks using CNN or Graph-based models.

Lithography is fundamental to integrated circuit fabrication, necessitating large computation overhead. The advancement of machine learning (ML)-based lithography models alleviates the trade-offs between manufacturing process expense and capability. However, all previous methods regard the lithography system as an image-to-image black box mapping, utilizing network parameters to learn by rote mappings from massive mask-to-aerial or mask-to-resist image pairs, resulting in poor generalization capability. In this paper, we propose a new ML-based paradigm disassembling the rigorous lithographic model into non-parametric mask operations and learned optical kernels containing determinant source, pupil, and lithography information. By optimizing complex-valued neural fields to perform optical kernel regression from coordinates, our method can accurately restore lithography system using a small-scale training dataset with fewer parameters, demonstrating superior generalization capability as well. Experiments show that our framework can use 31% of parameters while achieving 69$\times$ smaller mean squared error with 1.3$\times$ higher throughput than the state-of-the-art.

Multiple patterning lithography (MPL) is regarded as one of the most promising ways of overcoming the resolution limitations of conventional optical lithography due to the delay of next-generation lithography technology. As the feature size continues to decrease, layout decomposition for multiple patterning lithography (MPLD) technology is becoming increasingly crucial for improving the manufacturability in advanced nodes. The decomposition process refers to assigning the layout features to different mask layers according to the design rules and density requirements. When the number of masks $k \geq 3$, the MPLD problems are NP-hard and thus may suffer from runtime overhead for practical designs. However, the number of layout patterns is increasing exponentially in industrial layouts, which hinders the runtime performance of MPLD models. In this research, we substitute the CPU's dance link data structure with parallel GPU matrix operations to accelerate the solution for exact cover-based MPLD algorithms. Experimental results demonstrate that our system is capable of full-scale, lightning-fast layout decomposition, which can achieve more than 10$\times$ speed-up without quality degradation compared to state-of-the-art layout decomposition methods.

Personalized prediction of responses for individual entities caused by external drivers is vital across many disciplines. Recent machine learning (ML) advances have led to new state-of-the-art response prediction models. Models built at a population level often lead to sub-optimal performance in many personalized prediction settings due to heterogeneity in data across entities (tasks). In personalized prediction, the goal is to incorporate inherent characteristics of different entities to improve prediction performance. In this survey, we focus on the recent developments in the ML community for such entity-aware modeling approaches. ML algorithms often modulate the network using these entity characteristics when they are readily available. However, these entity characteristics are not readily available in many real-world scenarios, and different ML methods have been proposed to infer these characteristics from the data. In this survey, we have organized the current literature on entity-aware modeling based on the availability of these characteristics as well as the amount of training data. We highlight how recent innovations in other disciplines, such as uncertainty quantification, fairness, and knowledge-guided machine learning, can improve entity-aware modeling.

Process design is a creative task that is currently performed manually by engineers. Artificial intelligence provides new potential to facilitate process design. Specifically, reinforcement learning (RL) has shown some success in automating process design by integrating data-driven models that learn to build process flowsheets with process simulation in an iterative design process. However, one major challenge in the learning process is that the RL agent demands numerous process simulations in rigorous process simulators, thereby requiring long simulation times and expensive computational power. Therefore, typically short-cut simulation methods are employed to accelerate the learning process. Short-cut methods can, however, lead to inaccurate results. We thus propose to utilize transfer learning for process design with RL in combination with rigorous simulation methods. Transfer learning is an established approach from machine learning that stores knowledge gained while solving one problem and reuses this information on a different target domain. We integrate transfer learning in our RL framework for process design and apply it to an illustrative case study comprising equilibrium reactions, azeotropic separation, and recycles, our method can design economically feasible flowsheets with stable interaction with DWSIM. Our results show that transfer learning enables RL to economically design feasible flowsheets with DWSIM, resulting in a flowsheet with an 8% higher revenue. And the learning time can be reduced by a factor of 2.

Lithography modeling is a crucial problem in chip design to ensure a chip design mask is manufacturable. It requires rigorous simulations of optical and chemical models that are computationally expensive. Recent developments in machine learning have provided alternative solutions in replacing the time-consuming lithography simulations with deep neural networks. However, the considerable accuracy drop still impedes its industrial adoption. Most importantly, the quality and quantity of the training dataset directly affect the model performance. To tackle this problem, we propose a litho-aware data augmentation (LADA) framework to resolve the dilemma of limited data and improve the machine learning model performance. First, we pretrain the neural networks for lithography modeling and a gradient-friendly StyleGAN2 generator. We then perform adversarial active sampling to generate informative and synthetic in-distribution mask designs. These synthetic mask images will augment the original limited training dataset used to finetune the lithography model for improved performance. Experimental results demonstrate that LADA can successfully exploits the neural network capacity by narrowing down the performance gap between the training and testing data instances.