Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an alternative to physical experiments, but are usually infeasible for complex real-world domains due to the computational requirements of existing numerical methods. Artificial intelligence (AI) presents a potential paradigm shift through the development of fast data-driven surrogate models. In particular, an AI framework, known as neural operators, presents a principled framework for learning mappings between functions defined on continuous domains, e.g., spatiotemporal processes and partial differential equations (PDE). They can extrapolate and predict solutions at new locations unseen during training, i.e., perform zero-shot super-resolution. Neural operators can augment or even replace existing simulators in many applications, such as computational fluid dynamics, weather forecasting, and material modeling, while being 4-5 orders of magnitude faster. Further, neural operators can be integrated with physics and other domain constraints enforced at finer resolutions to obtain high-fidelity solutions and good generalization. Since neural operators are differentiable, they can directly optimize parameters for inverse design and other inverse problems. We believe that neural operators present a transformative approach to simulation and design, enabling rapid research and development.
Reinforcement learning(RL) algorithms face the challenge of limited data efficiency, particularly when dealing with high-dimensional state spaces and large-scale problems. Most of RL methods often rely solely on state transition information within the same episode when updating the agent's Critic, which can lead to low data efficiency and sub-optimal training time consumption. Inspired by human-like analogical reasoning abilities, we introduce a novel mesh information propagation mechanism, termed the 'Imagination Mechanism (IM)', designed to significantly enhance the data efficiency of RL algorithms. Specifically, IM enables information generated by a single sample to be effectively broadcasted to different states across episodes, instead of simply transmitting in the same episode. This capability enhances the model's comprehension of state interdependencies and facilitates more efficient learning of limited sample information. To promote versatility, we extend the IM to function as a plug-and-play module that can be seamlessly and fluidly integrated into other widely adopted RL algorithms. Our experiments demonstrate that IM consistently boosts four mainstream SOTA RL algorithms, such as SAC, PPO, DDPG, and DQN, by a considerable margin, ultimately leading to superior performance than before across various tasks. For access to our code and data, please visit https://github.com/OuAzusaKou/imagination_mechanism
In the presented work, we propose to apply the framework of graph neural networks (GNNs) to predict the dynamics of a rolling element bearing. This approach offers generalizability and interpretability, having the potential for scalable use in real-time operational digital twin systems for monitoring the health state of rotating machines. By representing the bearing's components as nodes in a graph, the GNN can effectively model the complex relationships and interactions among them. We utilize a dynamic spring-mass-damper model of a bearing to generate the training data for the GNN. In this model, discrete masses represent bearing components such as rolling elements, inner raceways, and outer raceways, while a Hertzian contact model is employed to calculate the forces between these components. We evaluate the learning and generalization capabilities of the proposed GNN framework by testing different bearing configurations that deviate from the training configurations. Through this approach, we demonstrate the effectiveness of the GNN-based method in accurately predicting the dynamics of rolling element bearings, highlighting its potential for real-time health monitoring of rotating machinery.
Surgical videos captured from microscopic or endoscopic imaging devices are rich but complex sources of information, depicting different tools and anatomical structures utilized during an extended amount of time. Despite containing crucial workflow information and being commonly recorded in many procedures, usage of surgical videos for automated surgical workflow understanding is still limited. In this work, we exploit scene graphs as a more holistic, semantically meaningful and human-readable way to represent surgical videos while encoding all anatomical structures, tools, and their interactions. To properly evaluate the impact of our solutions, we create a scene graph dataset from semantic segmentations from the CaDIS and CATARACTS datasets. We demonstrate that scene graphs can be leveraged through the use of graph convolutional networks (GCNs) to tackle surgical downstream tasks such as surgical workflow recognition with competitive performance. Moreover, we demonstrate the benefits of surgical scene graphs regarding the explainability and robustness of model decisions, which are crucial in the clinical setting.
Recent research in deep learning methodology has led to a variety of complex modelling techniques in computer vision (CV) that reach or even outperform human performance. Although these black-box deep learning models have obtained astounding results, they are limited in their interpretability and transparency which are critical to take learning machines to the next step to include them in sensitive decision-support systems involving human supervision. Hence, the development of explainable techniques for computer vision (XCV) has recently attracted increasing attention. In the realm of XCV, Class Activation Maps (CAMs) have become widely recognized and utilized for enhancing interpretability and insights into the decision-making process of deep learning models. This work presents a comprehensive overview of the evolution of Class Activation Map methods over time. It also explores the metrics used for evaluating CAMs and introduces auxiliary techniques to improve the saliency of these methods. The overview concludes by proposing potential avenues for future research in this evolving field.
We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in $\mathbb{R}^d$, where in addition to the $m$ independent and labeled samples from the true distribution, a set of $n$ (usually with $n\gg m$) out of domain and unlabeled samples are gievn as well. Using only the labeled data, it is known that the generalization error can be bounded by $\propto\left(d/m\right)^{1/2}$. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the "cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.
Channel prediction is critical to address the channel aging issue in mobile scenarios. Existing channel prediction techniques are mainly designed for discrete channel prediction, which can only predict the future channel in a fixed time slot per frame, while the other intra-frame channels are usually recovered by interpolation. However, these approaches suffer from a serious interpolation loss, especially for mobile millimeter wave communications. To solve this challenging problem, we propose a tensor neural ordinary differential equation (TN-ODE) based continuous-time channel prediction scheme to realize the direct prediction of intra-frame channels. Specifically, inspired by the recently developed continuous mapping model named neural ODE in the field of machine learning, we first utilize the neural ODE model to predict future continuous-time channels. To improve the channel prediction accuracy and reduce computational complexity, we then propose the TN-ODE scheme to learn the structural characteristics of the high-dimensional channel by low dimensional learnable transform. Simulation results show that the proposed scheme is able to achieve higher intra-frame channel prediction accuracy than existing schemes.
Molecular Communications (MC) is a bio-inspired communication paradigm that uses molecules as information carriers, requiring unconventional transceivers and modulation/detection techniques. Practical MC receivers (MC-Rxs) can be implemented using field-effect transistor biosensor (bioFET) architectures, where surface receptors reversibly react with ligands. The time-varying concentration of ligand-bound receptors is translated into electrical signals via field effect, which is used to decode the transmitted information. However, ligand-receptor interactions do not provide an ideal molecular selectivity, as similar ligand types, i.e., interferers, co-existing in the MC channel, can interact with the same type of receptors. Overcoming this molecular cross-talk in the time domain can be challenging, especially when Rx has no knowledge of the interferer statistics or operates near saturation. Therefore, we propose a frequency-domain detection (FDD) technique for bioFET-based MC-Rxs that exploits the difference in binding reaction rates of different ligand types reflected in the power spectrum of the ligand-receptor binding noise. We derive the bit error probability (BEP) of the FDD technique and demonstrate its effectiveness in decoding transmitted concentration signals under stochastic molecular interference compared to a widely used time-domain detection (TDD) technique. We then verified the analytical performance bounds of the FDD through a particle-based spatial stochastic simulator simulating reactions on the MC-Rx in microfluidic channels.
Test-time adaptation (TTA) aims to adapt a pre-trained model to the target domain in a batch-by-batch manner during inference. While label distributions often exhibit imbalances in real-world scenarios, most previous TTA approaches typically assume that both source and target domain datasets have balanced label distribution. Due to the fact that certain classes appear more frequently in certain domains (e.g., buildings in cities, trees in forests), it is natural that the label distribution shifts as the domain changes. However, we discover that the majority of existing TTA methods fail to address the coexistence of covariate and label shifts. To tackle this challenge, we propose a novel label shift adapter that can be incorporated into existing TTA approaches to deal with label shifts during the TTA process effectively. Specifically, we estimate the label distribution of the target domain to feed it into the label shift adapter. Subsequently, the label shift adapter produces optimal parameters for the target label distribution. By predicting only the parameters for a part of the pre-trained source model, our approach is computationally efficient and can be easily applied, regardless of the model architectures. Through extensive experiments, we demonstrate that integrating our strategy with TTA approaches leads to substantial performance improvements under the joint presence of label and covariate shifts.
Copy detection patterns (CDP) present an efficient technique for product protection against counterfeiting. However, the complexity of studying CDP production variability often results in time-consuming and costly procedures, limiting CDP scalability. Recent advancements in computer modelling, notably the concept of a "digital twin" for printing-imaging channels, allow for enhanced scalability and the optimization of authentication systems. Yet, the development of an accurate digital twin is far from trivial. This paper extends previous research which modelled a printing-imaging channel using a machine learning-based digital twin for CDP. This model, built upon an information-theoretic framework known as "Turbo", demonstrated superior performance over traditional generative models such as CycleGAN and pix2pix. However, the emerging field of Denoising Diffusion Probabilistic Models (DDPM) presents a potential advancement in generative models due to its ability to stochastically model the inherent randomness of the printing-imaging process, and its impressive performance in image-to-image translation tasks. This study aims at comparing the capabilities of the Turbo framework and DDPM on the same CDP datasets, with the goal of establishing the real-world benefits of DDPM models for digital twin applications in CDP security. Furthermore, the paper seeks to evaluate the generative potential of the studied models in the context of mobile phone data acquisition. Despite the increased complexity of DDPM methods when compared to traditional approaches, our study highlights their advantages and explores their potential for future applications.