Deng Pan

Xin Li, Deng Pan, Chengyin Li et al.

There are increasing demands for understanding deep neural networks' (DNNs) behavior spurred by growing security and/or transparency concerns. Due to multi-layer nonlinearity of the deep neural network architectures, explaining DNN predictions still remains as an open problem, preventing us from gaining a deeper understanding of the mechanisms. To enhance the explainability of DNNs, we estimate the input feature's attributions to the prediction task using divergence and flux. Inspired by the divergence theorem in vector analysis, we develop a novel Negative Flux Aggregation (NeFLAG) formulation and an efficient approximation algorithm to estimate attribution map. Unlike the previous techniques, ours doesn't rely on fitting a surrogate model nor need any path integration of gradients. Both qualitative and quantitative experiments demonstrate a superior performance of NeFLAG in generating more faithful attribution maps than the competing methods. Our code is available at \url{https://github.com/xinli0928/NeFLAG}

Deng Pan, Mohammad Ali Khoshkholghi, Toktam Mahmoodi

Unmanned aerial vehicles (UAV) or drones play many roles in a modern smart city such as the delivery of goods, mapping real-time road traffic and monitoring pollution. The ability of drones to perform these functions often requires the support of machine learning technology. However, traditional machine learning models for drones encounter data privacy problems, communication costs and energy limitations. Federated Learning, an emerging distributed machine learning approach, is an excellent solution to address these issues. Federated learning (FL) allows drones to train local models without transmitting raw data. However, existing FL requires a central server to aggregate the trained model parameters of the UAV. A failure of the central server can significantly impact the overall training. In this paper, we propose two aggregation methods: Commutative FL and Alternate FL, based on the existing architecture of decentralised Federated Learning for UAV Networks (DFL-UN) by adding a unique aggregation method of decentralised FL. Those two methods can effectively control energy consumption and communication cost by controlling the number of local training epochs, local communication, and global communication. The simulation results of the proposed training methods are also presented to verify the feasibility and efficiency of the architecture compared with two benchmark methods (e.g. standard machine learning training and standard single aggregation server training). The simulation results show that the proposed methods outperform the benchmark methods in terms of operational stability, energy consumption and communication cost.

Xin Li, Xiangrui Li, Deng Pan et al.

Deep neural networks (DNNs) for supervised learning can be viewed as a pipeline of the feature extractor (i.e., last hidden layer) and a linear classifier (i.e., output layer) that are trained jointly with stochastic gradient descent (SGD) on the loss function (e.g., cross-entropy). In each epoch, the true gradient of the loss function is estimated using a mini-batch sampled from the training set and model parameters are then updated with the mini-batch gradients. Although the latter provides an unbiased estimation of the former, they are subject to substantial variances derived from the size and number of sampled mini-batches, leading to noisy and jumpy updates. To stabilize such undesirable variance in estimating the true gradients, we propose In-Training Representation Alignment (ITRA) that explicitly aligns feature distributions of two different mini-batches with a matching loss in the SGD training process. We also provide a rigorous analysis of the desirable effects of the matching loss on feature representation learning: (1) extracting compact feature representation; (2) reducing over-adaption on mini-batches via an adaptive weighting mechanism; and (3) accommodating to multi-modalities. Finally, we conduct large-scale experiments on both image and text classifications to demonstrate its superior performance to the strong baselines.

Yue Wua, Tianhao Su, Rui Hu et al.

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g., undrained conditions) that standard generative models fail to recognize. This leads to Physical Hallucination: the generation of syntactically correct solvers that faithfully execute physically invalid laws. Here, we introduce a Neuro-Symbolic Generative Agent that functions as a cognitive supervisor atop traditional numerical engines. By encapsulating physical laws into modular Constitutive Skills and leveraging latent intrinsic priors, the Agent employs a Chain-of-Thought reasoning workflow to autonomously validate, prune, and complete physical mechanisms. We demonstrate this capability on the challenge of thermal pressurization in low-permeability sandstone. While a standard literature-retrieval baseline erroneously predicts catastrophic material failure by blindly adopting a rigid "undrained" simplification, our Agent autonomously identifies the system as operating in a drained regime (Deborah number De << 1) via dimensionless scaling analysis. Consequently, it inductively completes the missing dissipation mechanism (Darcy flow) required to satisfy boundary constraints, predicting a stable stress path consistent with experimental reality. This work establishes a paradigm where AI agents transcend the role of coding assistants to act as epistemic partners, capable of reasoning about and correcting the theoretical assumptions embedded in scientific data.

Yue Wu, Tianhao Su, Mingchuan Zhao et al.

The discovery of constitutive laws for complex materials has historically faced a dichotomy between high-fidelity data-driven approaches, which demand prohibitive full-field experimental data, and traditional engineering fitting, which often yields numerically unstable models outside calibration regimes. In this work, we propose an Engineering-Oriented Symbolic Regression (EO-SR) framework that bridges this gap by leveraging Large Language Models (LLMs) as "Physics-Informed Agents." Unlike unconstrained symbolic regression, our framework utilizes an LLM Agent to zero-shot synthesize executable physical constraints -- specifically thermodynamic consistency and frame indifference -- transforming the search process from mathematical curve-fitting into a physics-governed discovery engine. We validate this approach on the hyperelastic modeling of rubber-like materials using standard Treloar datasets. The framework autonomously identifies a novel hybrid constitutive law that combines a Mooney-Rivlin linear base with a rational locking term. This discovered model not only achieves high predictive accuracy across multi-axial deformation modes (including zero-shot prediction of pure shear) but also guarantees unconditional convexity. Finite element validation demonstrates that while industry-standard models (e.g., Ogden N=3) fail due to numerical singularities under severe transverse compression, the EO-SR-discovered model maintains robust convergence. This study establishes a generalized, low-barrier pathway for discovering simulation-ready constitutive closures that satisfy both data accuracy and rigorous physical laws.

Xin Li, Xiangrui Li, Deng Pan et al.

Convolutional neural networks (CNNs) have achieved state-of-the-art performance on various tasks in computer vision. However, recent studies demonstrate that these models are vulnerable to carefully crafted adversarial samples and suffer from a significant performance drop when predicting them. Many methods have been proposed to improve adversarial robustness (e.g., adversarial training and new loss functions to learn adversarially robust feature representations). Here we offer a unique insight into the predictive behavior of CNNs that they tend to misclassify adversarial samples into the most probable false classes. This inspires us to propose a new Probabilistically Compact (PC) loss with logit constraints which can be used as a drop-in replacement for cross-entropy (CE) loss to improve CNN's adversarial robustness. Specifically, PC loss enlarges the probability gaps between true class and false classes meanwhile the logit constraints prevent the gaps from being melted by a small perturbation. We extensively compare our method with the state-of-the-art using large scale datasets under both white-box and black-box attacks to demonstrate its effectiveness. The source codes are available from the following url: https://github.com/xinli0928/PC-LC.

Deng Pan, Xiangrui Li, Xin Li et al.

Latent factor collaborative filtering (CF) has been a widely used technique for recommender system by learning the semantic representations of users and items. Recently, explainable recommendation has attracted much attention from research community. However, trade-off exists between explainability and performance of the recommendation where metadata is often needed to alleviate the dilemma. We present a novel feature mapping approach that maps the uninterpretable general features onto the interpretable aspect features, achieving both satisfactory accuracy and explainability in the recommendations by simultaneous minimization of rating prediction loss and interpretation loss. To evaluate the explainability, we propose two new evaluation metrics specifically designed for aspect-level explanation using surrogate ground truth. Experimental results demonstrate a strong performance in both recommendation and explaining explanation, eliminating the need for metadata. Code is available from https://github.com/pd90506/AMCF.

Shamim Yazdani, Akansha Singh, Nripsuta Saxena et al.

In recent years, deep learning based generative models, particularly Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Diffusion Models (DMs), have been instrumental in in generating diverse, high-quality content across various domains, such as image and video synthesis. This capability has led to widespread adoption of these models and has captured strong public interest. As they continue to advance at a rapid pace, the growing volume of research, expanding application areas, and unresolved technical challenges make it increasingly difficult to stay current. To address this need, this survey introduces a comprehensive taxonomy that organizes the literature and provides a cohesive framework for understanding the development of GANs, VAEs, and DMs, including their many variants and combined approaches. We highlight key innovations that have improved the quality, diversity, and controllability of generated outputs, reflecting the expanding potential of generative artificial intelligence. In addition to summarizing technical progress, we examine rising ethical concerns, including the risks of misuse and the broader societal impact of synthetic media. Finally, we outline persistent challenges and propose future research directions, offering a structured and forward looking perspective for researchers in this fast evolving field.

Deng Pan, Keerthiram Murugesan, Nuno Moniz et al.

Understanding which parts of the retrieved context contribute to a large language model's generated answer is essential for building interpretable and trustworthy generative QA systems. We propose a novel framework that formulates context attribution as a combinatorial multi-armed bandit (CMAB) problem. Each context segment is treated as a bandit arm, and we employ Combinatorial Thompson Sampling (CTS) to efficiently explore the exponentially large space of context subsets under a limited query budget. Our method defines a reward function based on normalized token likelihoods, capturing how well a subset of segments supports the original model response. Unlike traditional perturbation-based attribution methods such as SHAP, which sample subsets uniformly and incur high computational costs, our approach adaptively balances exploration and exploitation by leveraging posterior estimates of segment relevance. This leads to substantially improved query efficiency while maintaining high attribution fidelity. Extensive experiments on diverse datasets and LLMs demonstrate that our method achieves competitive attribution quality with fewer model queries.

Xin Li, Deng Pan, Dongxiao Zhu

Medical imaging AI systems such as disease classification and segmentation are increasingly inspired and transformed from computer vision based AI systems. Although an array of adversarial training and/or loss function based defense techniques have been developed and proved to be effective in computer vision, defending against adversarial attacks on medical images remains largely an uncharted territory due to the following unique challenges: 1) label scarcity in medical images significantly limits adversarial generalizability of the AI system; 2) vastly similar and dominant fore- and background in medical images make it hard samples for learning the discriminating features between different disease classes; and 3) crafted adversarial noises added to the entire medical image as opposed to the focused organ target can make clean and adversarial examples more discriminate than that between different disease classes. In this paper, we propose a novel robust medical imaging AI framework based on Semi-Supervised Adversarial Training (SSAT) and Unsupervised Adversarial Detection (UAD), followed by designing a new measure for assessing systems adversarial risk. We systematically demonstrate the advantages of our robust medical imaging AI system over the existing adversarial defense techniques under diverse real-world settings of adversarial attacks using a benchmark OCT imaging data set.

Xiangrui Li, Xin Li, Deng Pan et al.

Deep convolutional neural networks (CNNs) trained with logistic and softmax losses have made significant advancement in visual recognition tasks in computer vision. When training data exhibit class imbalances, the class-wise reweighted version of logistic and softmax losses are often used to boost performance of the unweighted version. In this paper, motivated to explain the reweighting mechanism, we explicate the learning property of those two loss functions by analyzing the necessary condition (e.g., gradient equals to zero) after training CNNs to converge to a local minimum. The analysis immediately provides us explanations for understanding (1) quantitative effects of the class-wise reweighting mechanism: deterministic effectiveness for binary classification using logistic loss yet indeterministic for multi-class classification using softmax loss; (2) disadvantage of logistic loss for single-label multi-class classification via one-vs.-all approach, which is due to the averaging effect on predicted probabilities for the negative class (e.g., non-target classes) in the learning process. With the disadvantage and advantage of logistic loss disentangled, we thereafter propose a novel reweighted logistic loss for multi-class classification. Our simple yet effective formulation improves ordinary logistic loss by focusing on learning hard non-target classes (target vs. non-target class in one-vs.-all) and turned out to be competitive with softmax loss. We evaluate our method on several benchmark datasets to demonstrate its effectiveness.

Xiangrui Li, Deng Pan, Xin Li et al.

Deep neural networks (DNNs) for supervised learning can be viewed as a pipeline of a feature extractor (i.e. last hidden layer) and a linear classifier (i.e. output layer) that is trained jointly with stochastic gradient descent (SGD). In each iteration of SGD, a mini-batch from the training data is sampled and the true gradient of the loss function is estimated as the noisy gradient calculated on this mini-batch. From the feature learning perspective, the feature extractor should be updated to learn meaningful features with respect to the entire data, and reduce the accommodation to noise in the mini-batch. With this motivation, we propose In-Training Distribution Matching (ITDM) to improve DNN training and reduce overfitting. Specifically, along with the loss function, ITDM regularizes the feature extractor by matching the moments of distributions of different mini-batches in each iteration of SGD, which is fulfilled by minimizing the maximum mean discrepancy. As such, ITDM does not assume any explicit parametric form of data distribution in the latent feature space. Extensive experiments are conducted to demonstrate the effectiveness of our proposed strategy.