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Automatic differentiation (AD) is a critical step in physics-informed machine learning, required for computing the high-order derivatives of network output w.r.t. coordinates of collocation points. In this paper, we present a novel and lightweight algorithm to conduct AD for physics-informed operator learning, which we call the trick of Zero Coordinate Shift (ZCS). Instead of making all sampled coordinates as leaf variables, ZCS introduces only one scalar-valued leaf variable for each spatial or temporal dimension, simplifying the wanted derivatives from "many-roots-many-leaves" to "one-root-many-leaves" whereby reverse-mode AD becomes directly utilisable. It has led to an outstanding performance leap by avoiding the duplication of the computational graph along the dimension of functions (physical parameters). ZCS is easy to implement with current deep learning libraries; our own implementation is achieved by extending the DeepXDE package. We carry out a comprehensive benchmark analysis and several case studies, training physics-informed DeepONets to solve partial differential equations (PDEs) without data. The results show that ZCS has persistently reduced GPU memory consumption and wall time for training by an order of magnitude, and such reduction factor scales with the number of functions. As a low-level optimisation technique, ZCS imposes no restrictions on data, physics (PDE) or network architecture and does not compromise training results from any aspect.

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Knowledge distillation is the process of transferring knowledge from a more powerful large model (teacher) to a simpler counterpart (student). Numerous current approaches involve the student imitating the knowledge of the teacher directly. However, redundancy still exists in the learned representations through these prevalent methods, which tend to learn each spatial location's features indiscriminately. To derive a more compact representation (concept feature) from the teacher, inspired by human cognition, we suggest an innovative method, termed Generative Denoise Distillation (GDD), where stochastic noises are added to the concept feature of the student to embed them into the generated instance feature from a shallow network. Then, the generated instance feature is aligned with the knowledge of the instance from the teacher. We extensively experiment with object detection, instance segmentation, and semantic segmentation to demonstrate the versatility and effectiveness of our method. Notably, GDD achieves new state-of-the-art performance in the tasks mentioned above. We have achieved substantial improvements in semantic segmentation by enhancing PspNet and DeepLabV3, both of which are based on ResNet-18, resulting in mIoU scores of 74.67 and 77.69, respectively, surpassing their previous scores of 69.85 and 73.20 on the Cityscapes dataset of 20 categories. The source code of GDD is available at //github.com/ZhgLiu/GDD.

Traffic forecasting, a crucial application of spatio-temporal graph (STG) learning, has traditionally relied on deterministic models for accurate point estimations. Yet, these models fall short of identifying latent risks of unexpected volatility in future observations. To address this gap, probabilistic methods, especially variants of diffusion models, have emerged as uncertainty-aware solutions. However, existing diffusion methods typically focus on generating separate future time series for individual sensors in the traffic network, resulting in insufficient involvement of spatial network characteristics in the probabilistic learning process. To better leverage spatial dependencies and systematic patterns inherent in traffic data, we propose SpecSTG, a novel spectral diffusion framework. Our method generates the Fourier representation of future time series, transforming the learning process into the spectral domain enriched with spatial information. Additionally, our approach incorporates a fast spectral graph convolution designed for Fourier input, alleviating the computational burden associated with existing models. Numerical experiments show that SpecSTG achieves outstanding performance with traffic flow and traffic speed datasets compared to state-of-the-art baselines. The source code for SpecSTG is available at //anonymous.4open.science/r/SpecSTG.

The demand for efficient machine learning (ML) accelerators is growing rapidly, driving the development of novel computing concepts such as resistive random access memory (RRAM)-based tiled computing-in-memory (CIM) architectures. CIM allows to compute within the memory unit, resulting in faster data processing and reduced power consumption. Efficient compiler algorithms are essential to exploit the potential of tiled CIM architectures. While conventional ML compilers focus on code generation for CPUs, GPUs, and other von Neumann architectures, adaptations are needed to cover CIM architectures. Cross-layer scheduling is a promising approach, as it enhances the utilization of CIM cores, thereby accelerating computations. Although similar concepts are implicitly used in previous work, there is a lack of clear and quantifiable algorithmic definitions for cross-layer scheduling for tiled CIM architectures. To close this gap, we present CLSA-CIM, a cross-layer scheduling algorithm for tiled CIM architectures. We integrate CLSA-CIM with existing weight-mapping strategies and compare performance against state-of-the-art (SOTA) scheduling algorithms. CLSA-CIM improves the utilization by up to 17.9 x , resulting in an overall speedup increase of up to 29.2 x compared to SOTA.

Federated learning (FL) is a promising approach for solving multilingual tasks, potentially enabling clients with their own language-specific data to collaboratively construct a high-quality neural machine translation (NMT) model. However, communication constraints in practical network systems present challenges for exchanging large-scale NMT engines between FL parties. In this paper, we propose a meta-learning-based adaptive parameter selection methodology, MetaSend, that improves the communication efficiency of model transmissions from clients during FL-based multilingual NMT training. Our approach learns a dynamic threshold for filtering parameters prior to transmission without compromising the NMT model quality, based on the tensor deviations of clients between different FL rounds. Through experiments on two NMT datasets with different language distributions, we demonstrate that MetaSend obtains substantial improvements over baselines in translation quality in the presence of a limited communication budget.

Privacy poses a significant obstacle to the progress of learning analytics (LA), presenting challenges like inadequate anonymization and data misuse that current solutions struggle to address. Synthetic data emerges as a potential remedy, offering robust privacy protection. However, prior LA research on synthetic data lacks thorough evaluation, essential for assessing the delicate balance between privacy and data utility. Synthetic data must not only enhance privacy but also remain practical for data analytics. Moreover, diverse LA scenarios come with varying privacy and utility needs, making the selection of an appropriate synthetic data approach a pressing challenge. To address these gaps, we propose a comprehensive evaluation of synthetic data, which encompasses three dimensions of synthetic data quality, namely resemblance, utility, and privacy. We apply this evaluation to three distinct LA datasets, using three different synthetic data generation methods. Our results show that synthetic data can maintain similar utility (i.e., predictive performance) as real data, while preserving privacy. Furthermore, considering different privacy and data utility requirements in different LA scenarios, we make customized recommendations for synthetic data generation. This paper not only presents a comprehensive evaluation of synthetic data but also illustrates its potential in mitigating privacy concerns within the field of LA, thus contributing to a wider application of synthetic data in LA and promoting a better practice for open science.

Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This allows one to reason about the effects of changes to this process (i.e., interventions) and what would have happened in hindsight (i.e., counterfactuals). We categorize work in \causalml into five groups according to the problems they tackle: (1) causal supervised learning, (2) causal generative modeling, (3) causal explanations, (4) causal fairness, (5) causal reinforcement learning. For each category, we systematically compare its methods and point out open problems. Further, we review modality-specific applications in computer vision, natural language processing, and graph representation learning. Finally, we provide an overview of causal benchmarks and a critical discussion of the state of this nascent field, including recommendations for future work.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.

Multiple instance learning (MIL) is a powerful tool to solve the weakly supervised classification in whole slide image (WSI) based pathology diagnosis. However, the current MIL methods are usually based on independent and identical distribution hypothesis, thus neglect the correlation among different instances. To address this problem, we proposed a new framework, called correlated MIL, and provided a proof for convergence. Based on this framework, we devised a Transformer based MIL (TransMIL), which explored both morphological and spatial information. The proposed TransMIL can effectively deal with unbalanced/balanced and binary/multiple classification with great visualization and interpretability. We conducted various experiments for three different computational pathology problems and achieved better performance and faster convergence compared with state-of-the-art methods. The test AUC for the binary tumor classification can be up to 93.09% over CAMELYON16 dataset. And the AUC over the cancer subtypes classification can be up to 96.03% and 98.82% over TCGA-NSCLC dataset and TCGA-RCC dataset, respectively.

State-of-the-art Convolutional Neural Network (CNN) benefits a lot from multi-task learning (MTL), which learns multiple related tasks simultaneously to obtain shared or mutually related representations for different tasks. The most widely-used MTL CNN structure is based on an empirical or heuristic split on a specific layer (e.g., the last convolutional layer) to minimize different task-specific losses. However, this heuristic sharing/splitting strategy may be harmful to the final performance of one or multiple tasks. In this paper, we propose a novel CNN structure for MTL, which enables automatic feature fusing at every layer. Specifically, we first concatenate features from different tasks according to their channel dimension, and then formulate the feature fusing problem as discriminative dimensionality reduction. We show that this discriminative dimensionality reduction can be done by 1x1 Convolution, Batch Normalization, and Weight Decay in one CNN, which we refer to as Neural Discriminative Dimensionality Reduction (NDDR). We perform ablation analysis in details for different configurations in training the network. The experiments carried out on different network structures and different task sets demonstrate the promising performance and desirable generalizability of our proposed method.

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