Xiongye Xiao

Xiongye Xiao, Defu Cao, Ruochen Yang et al.

Coupled partial differential equations (PDEs) are key tasks in modeling the complex dynamics of many physical processes. Recently, neural operators have shown the ability to solve PDEs by learning the integral kernel directly in Fourier/Wavelet space, so the difficulty for solving the coupled PDEs depends on dealing with the coupled mappings between the functions. Towards this end, we propose a \textit{coupled multiwavelets neural operator} (CMWNO) learning scheme by decoupling the coupled integral kernels during the multiwavelet decomposition and reconstruction procedures in the Wavelet space. The proposed model achieves significantly higher accuracy compared to previous learning-based solvers in solving the coupled PDEs including Gray-Scott (GS) equations and the non-local mean field game (MFG) problem. According to our experimental results, the proposed model exhibits a $2\times \sim 4\times$ improvement relative $L$2 error compared to the best results from the state-of-the-art models.

Chenzhong Yin, Mingxi Cheng, Xiongye Xiao et al.

The collective behavior of a network with heterogeneous, resource-limited information processing units (e.g., group of fish, flock of birds, or network of neurons) demonstrates high self-organization and complexity. These emergent properties arise from simple interaction rules where certain individuals can exhibit leadership-like behavior and influence the collective activity of the group. Motivated by the intricacy of these collectives, we propose a neural network (NN) architecture inspired by the rules observed in nature's collective ensembles. This NN structure contains workers that encompass one or more information processing units (e.g., neurons, filters, layers, or blocks of layers). Workers are either leaders or followers, and we train a leader-follower neural network (LFNN) by leveraging local error signals and optionally incorporating backpropagation (BP) and global loss. We investigate worker behavior and evaluate LFNNs through extensive experimentation. Our LFNNs trained with local error signals achieve significantly lower error rates than previous BP-free algorithms on MNIST and CIFAR-10 and even surpass BP-enabled baselines. In the case of ImageNet, our LFNN-l demonstrates superior scalability and outperforms previous BP-free algorithms by a significant margin.

Luzhe Huang, Xiongye Xiao, Shixuan Li et al.

The advance of diffusion-based generative models in recent years has revolutionized state-of-the-art (SOTA) techniques in a wide variety of image analysis and synthesis tasks, whereas their adaptation on image restoration, particularly within computational microscopy remains theoretically and empirically underexplored. In this research, we introduce a multi-scale generative model that enhances conditional image restoration through a novel exploitation of the Brownian Bridge process within wavelet domain. By initiating the Brownian Bridge diffusion process specifically at the lowest-frequency subband and applying generative adversarial networks at subsequent multi-scale high-frequency subbands in the wavelet domain, our method provides significant acceleration during training and sampling while sustaining a high image generation quality and diversity on par with SOTA diffusion models. Experimental results on various computational microscopy and imaging tasks confirm our method's robust performance and its considerable reduction in its sampling steps and time. This pioneering technique offers an efficient image restoration framework that harmonizes efficiency with quality, signifying a major stride in incorporating cutting-edge generative models into computational microscopy workflows.

Xiongye Xiao, Gengshuo Liu, Gaurav Gupta et al.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Distinct from most traditional fusion models that aim to incorporate all modalities as input, our model designates the prime modality as input, while the remaining modalities act as detectors in the information pathway. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of downstream tasks. Experimental evaluations on both the MUStARD and CMU-MOSI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks.

Anzhe Cheng, Zhenkun Wang, Chenzhong Yin et al.

Backpropagation (BP) has been a successful optimization technique for deep learning models. However, its limitations, such as backward- and update-locking, and its biological implausibility, hinder the concurrent updating of layers and do not mimic the local learning processes observed in the human brain. To address these issues, recent research has suggested using local error signals to asynchronously train network blocks. However, this approach often involves extensive trial-and-error iterations to determine the best configuration for local training. This includes decisions on how to decouple network blocks and which auxiliary networks to use for each block. In our work, we introduce a novel BP-free approach: a block-wise BP-free (BWBPF) neural network that leverages local error signals to optimize distinct sub-neural networks separately, where the global loss is only responsible for updating the output layer. The local error signals used in the BP-free model can be computed in parallel, enabling a potential speed-up in the weight update process through parallel implementation. Our experimental results consistently show that this approach can identify transferable decoupled architectures for VGG and ResNet variations, outperforming models trained with end-to-end backpropagation and other state-of-the-art block-wise learning techniques on datasets such as CIFAR-10 and Tiny-ImageNet. The code is released at https://github.com/Belis0811/BWBPF.

Xiongye Xiao, Gengshuo Liu, Gaurav Gupta et al.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

Heng Ping, Shixuan Li, Peiyu Zhang et al.

Recent advances in large language models (LLMs) have demonstrated remarkable capabilities in code generation tasks. However, when applied to hardware description languages (HDL), these models exhibit significant limitations due to data scarcity, resulting in hallucinations and incorrect code generation. To address these challenges, we propose HDLCoRe, a training-free framework that enhances LLMs' HDL generation capabilities through prompt engineering techniques and retrieval-augmented generation (RAG). Our approach consists of two main components: (1) an HDL-aware Chain-of-Thought (CoT) prompting technique with self-verification that classifies tasks by complexity and type, incorporates domain-specific knowledge, and guides LLMs through step-by-step self-simulation for error correction; and (2) a two-stage heterogeneous RAG system that addresses formatting inconsistencies through key component extraction and efficiently retrieves relevant HDL examples through sequential filtering and re-ranking. HDLCoRe eliminates the need for model fine-tuning while substantially improving LLMs' HDL generation capabilities. Experimental results demonstrate that our framework achieves superior performance on the RTLLM2.0 benchmark, significantly reducing hallucinations and improving both syntactic and functional correctness.

Xiongye Xiao, Heng Ping, Chenyu Zhou et al.

In recent years, there has been increasing attention on the capabilities of large models, particularly in handling complex tasks that small-scale models are unable to perform. Notably, large language models (LLMs) have demonstrated ``intelligent'' abilities such as complex reasoning and abstract language comprehension, reflecting cognitive-like behaviors. However, current research on emergent abilities in large models predominantly focuses on the relationship between model performance and size, leaving a significant gap in the systematic quantitative analysis of the internal structures and mechanisms driving these emergent abilities. Drawing inspiration from neuroscience research on brain network structure and self-organization, we propose (i) a general network representation of large models, (ii) a new analytical framework, called Neuron-based Multifractal Analysis (NeuroMFA), for structural analysis, and (iii) a novel structure-based metric as a proxy for emergent abilities of large models. By linking structural features to the capabilities of large models, NeuroMFA provides a quantitative framework for analyzing emergent phenomena in large models. Our experiments show that the proposed method yields a comprehensive measure of network's evolving heterogeneity and organization, offering theoretical foundations and a new perspective for investigating emergent abilities in large models.

Shukai Duan, Nikos Kanakaris, Xiongye Xiao et al.

Code optimization is a challenging task requiring a substantial level of expertise from developers. Nonetheless, this level of human capacity is not sufficient considering the rapid evolution of new hardware architectures and software environments. In light of this, recent research proposes adopting machine learning and artificial intelligence techniques to automate the code optimization process. In this paper, we introduce PerfRL, an innovative framework designed to tackle the problem of code optimization. Our framework leverages the capabilities of small language models (SLMs) and reinforcement learning (RL), facilitating a system where SLMs can assimilate feedback from their environment during the fine-tuning phase, notably through unit tests. When benchmarked against existing models, PerfRL demonstrates superior efficiency in terms of speed and computational resource usage, attributed to its reduced need for training steps and its compatibility with SLMs. Furthermore, it substantially diminishes the risk of logical and syntactical errors. To evaluate our framework, we conduct experiments on the PIE dataset using a lightweight large language model (i.e., CodeT5) and a new reinforcement learning algorithm, namely RRHF. For evaluation purposes, we use a list of evaluation metrics related to optimization quality and speedup. The evaluation results show that our approach achieves similar or better results compared to state-of-the-art models using shorter training times and smaller pre-trained models.

Shukai Duan, Heng Ping, Nikos Kanakaris et al.

Computation graphs are Directed Acyclic Graphs (DAGs) where the nodes correspond to mathematical operations and are used widely as abstractions in optimizations of neural networks. The device placement problem aims to identify optimal allocations of those nodes to a set of (potentially heterogeneous) devices. Existing approaches rely on two types of architectures known as grouper-placer and encoder-placer, respectively. In this work, we bridge the gap between encoder-placer and grouper-placer techniques and propose a novel framework for the task of device placement, relying on smaller computation graphs extracted from the OpenVINO toolkit. The framework consists of five steps, including graph coarsening, node representation learning and policy optimization. It facilitates end-to-end training and takes into account the DAG nature of the computation graphs. We also propose a model variant, inspired by graph parsing networks and complex network analysis, enabling graph representation learning and jointed, personalized graph partitioning, using an unspecified number of groups. To train the entire framework, we use reinforcement learning using the execution time of the placement as a reward. We demonstrate the flexibility and effectiveness of our approach through multiple experiments with three benchmark models, namely Inception-V3, ResNet, and BERT. The robustness of the proposed framework is also highlighted through an ablation study. The suggested placements improve the inference speed for the benchmark models by up to 58.2% over CPU execution and by up to 60.24% compared to other commonly used baselines.

Shixuan Li, Wei Yang, Peiyu Zhang et al.

Weather forecasting is crucial for public safety, disaster prevention and mitigation, agricultural production, and energy management, with global relevance. Although deep learning has significantly advanced weather prediction, current methods face critical limitations: (i) they often struggle to capture both dynamic temporal dependencies and short-term abrupt changes, making extreme weather modeling difficult; (ii) they incur high computational costs due to extensive training and resource requirements; (iii) they have limited adaptability to multi-scale frequencies, leading to challenges when separating global trends from local fluctuations. To address these issues, we propose ClimateLLM, a foundation model for weather forecasting. It captures spatiotemporal dependencies via a cross-temporal and cross-spatial collaborative modeling framework that integrates Fourier-based frequency decomposition with Large Language Models (LLMs) to strengthen spatial and temporal modeling. Our framework uses a Mixture-of-Experts (MoE) mechanism that adaptively processes different frequency components, enabling efficient handling of both global signals and localized extreme events. In addition, we introduce a cross-temporal and cross-spatial dynamic prompting mechanism, allowing LLMs to incorporate meteorological patterns across multiple scales effectively. Extensive experiments on real-world datasets show that ClimateLLM outperforms state-of-the-art approaches in accuracy and efficiency, as a scalable solution for global weather forecasting.

Nikos Kanakaris, Heng Ping, Xiongye Xiao et al.

Detecting organized political campaigns is of paramount importance in fighting against disinformation on social media. Existing approaches for the identification of such organized actions employ techniques mostly from network science, graph machine learning and natural language processing. Their ultimate goal is to analyze the relationships and interactions (e.g. re-posting) among users and the textual similarities of their posts. Despite their effectiveness in recognizing astroturf campaigns, these methods face significant challenges, notably the class imbalance in available training datasets. To mitigate this issue, recent methods usually resort to data augmentation or increasing the number of positive samples, which may not always be feasible or sufficient in real-world settings. Following a different path, in this paper, we propose a novel framework for identifying astroturf campaigns based solely on large language models (LLMs), introducing a Balanced Retrieval-Augmented Generation (Balanced RAG) component. Our approach first gives both textual information concerning the posts (in our case tweets) and the user interactions of the social network as input to a language model. Then, through prompt engineering and the proposed Balanced RAG method, it effectively detects coordinated disinformation campaigns on X (Twitter). The proposed framework does not require any training or fine-tuning of the language model. Instead, by strategically harnessing the strengths of prompt engineering and Balanced RAG, it facilitates LLMs to overcome the effects of class imbalance and effectively identify coordinated political campaigns. The experimental results demonstrate that by incorporating the proposed prompt engineering and Balanced RAG methods, our framework outperforms the traditional graph-based baselines, achieving 2x-3x improvements in terms of precision, recall and F1 scores.

Xiongye Xiao, Shixuan Li, Luzhe Huang et al.

While working within the spatial domain can pose problems associated with ill-conditioned scores caused by power-law decay, recent advances in diffusion-based generative models have shown that transitioning to the wavelet domain offers a promising alternative. However, within the wavelet domain, we encounter unique challenges, especially the sparse representation of high-frequency coefficients, which deviates significantly from the Gaussian assumptions in the diffusion process. To this end, we propose a multi-scale generative modeling in the wavelet domain that employs distinct strategies for handling low and high-frequency bands. In the wavelet domain, we apply score-based generative modeling with well-conditioned scores for low-frequency bands, while utilizing a multi-scale generative adversarial learning for high-frequency bands. As supported by the theoretical analysis and experimental results, our model significantly improve performance and reduce the number of trainable parameters, sampling steps, and time.

Xiaole Zhang, Peiyu Zhang, Xiongye Xiao et al.

Integer-order calculus often falls short in capturing the long-range dependencies and memory effects found in many real-world processes. Fractional calculus addresses these gaps via fractional-order integrals and derivatives, but fractional-order dynamical systems pose substantial challenges in system identification and optimal control due to the lack of standard control methodologies. In this paper, we theoretically derive the optimal control via linear quadratic regulator (LQR) for fractional-order linear time-invariant (FOLTI) systems and develop an end-to-end deep learning framework based on this theoretical foundation. Our approach establishes a rigorous mathematical model, derives analytical solutions, and incorporates deep learning to achieve data-driven optimal control of FOLTI systems. Our key contributions include: (i) proposing an innovative system identification method control strategy for FOLTI systems, (ii) developing the first end-to-end data-driven learning framework, Fractional-Order Learning for Optimal Control (FOLOC), that learns control policies from observed trajectories, and (iii) deriving a theoretical analysis of sample complexity to quantify the number of samples required for accurate optimal control in complex real-world problems. Experimental results indicate that our method accurately approximates fractional-order system behaviors without relying on Gaussian noise assumptions, pointing to promising avenues for advanced optimal control.

Chenzhong Yin, Hantang Zhang, Mingxi Cheng et al.

Malware represents a significant security concern in today's digital landscape, as it can destroy or disable operating systems, steal sensitive user information, and occupy valuable disk space. However, current malware detection methods, such as static-based and dynamic-based approaches, struggle to identify newly developed (``zero-day") malware and are limited by customized virtual machine (VM) environments. To overcome these limitations, we propose a novel malware detection approach that leverages deep learning, mathematical techniques, and network science. Our approach focuses on static and dynamic analysis and utilizes the Low-Level Virtual Machine (LLVM) to profile applications within a complex network. The generated network topologies are input into the GraphSAGE architecture to efficiently distinguish between benign and malicious software applications, with the operation names denoted as node features. Importantly, the GraphSAGE models analyze the network's topological geometry to make predictions, enabling them to detect state-of-the-art malware and prevent potential damage during execution in a VM. To evaluate our approach, we conduct a study on a dataset comprising source code from 24,376 applications, specifically written in C/C++, sourced directly from widely-recognized malware and various types of benign software. The results show a high detection performance with an Area Under the Receiver Operating Characteristic Curve (AUROC) of 99.85%. Our approach marks a substantial improvement in malware detection, providing a notably more accurate and efficient solution when compared to current state-of-the-art malware detection methods.

Gaurav Gupta, Xiongye Xiao, Paul Bogdan

The solution of a partial differential equation can be obtained by computing the inverse operator map between the input and the solution space. Towards this end, we introduce a \textit{multiwavelet-based neural operator learning scheme} that compresses the associated operator's kernel using fine-grained wavelets. By explicitly embedding the inverse multiwavelet filters, we learn the projection of the kernel onto fixed multiwavelet polynomial bases. The projected kernel is trained at multiple scales derived from using repeated computation of multiwavelet transform. This allows learning the complex dependencies at various scales and results in a resolution-independent scheme. Compare to the prior works, we exploit the fundamental properties of the operator's kernel which enable numerically efficient representation. We perform experiments on the Korteweg-de Vries (KdV) equation, Burgers' equation, Darcy Flow, and Navier-Stokes equation. Compared with the existing neural operator approaches, our model shows significantly higher accuracy and achieves state-of-the-art in a range of datasets. For the time-varying equations, the proposed method exhibits a ($2X-10X$) improvement ($0.0018$ ($0.0033$) relative $L2$ error for Burgers' (KdV) equation). By learning the mappings between function spaces, the proposed method has the ability to find the solution of a high-resolution input after learning from lower-resolution data.