arXiv subjects

Lijun Zhang

Publications and source records attributed to Lijun Zhang.

At least 91 records · Page 5Linked to original sources

arXiv2025

Monolayer Two-dimensional Materials Database (ML2DDB) and Applications

The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However, current 2D material databases are constrained by limited scale and compositional diversity. In this study, we introduce a scalable active learning workflow that integrates deep neural networks with density functional theory (DFT) calculations to efficiently explore a vast set of candidate structures. These structures are generated through physics-informed elemental substitution strategies, enabling broad and systematic discovery of stable 2D materials. Through six iterative screening cycles, we established the creation of the Monolayer 2D Materials Database (ML2DDB), which contains 242,546 DFT-validated stable structures-an order-of-magnitude increase over the largest known 2D materials databases. In particular, the number of ternary and quaternary compounds showed the most significant increase. Combining this database with a generative diffusion model, we demonstrated effective structure generation under specified chemistry and symmetry constraints. This work accomplished an organically interconnected loop of 2D material data expansion and application, which provides a new paradigm for the discovery of new materials.

cond-mat.mtrl-sci↗

arXiv2025

Reimagining Parameter Space Exploration with Diffusion Models

Adapting neural networks to new tasks typically requires task-specific fine-tuning, which is time-consuming and reliant on labeled data. We explore a generative alternative that produces task-specific parameters directly from task identity, eliminating the need for task-specific training. To this end, we propose using diffusion models to learn the underlying structure of effective task-specific parameter space and synthesize parameters on demand. Once trained, the task-conditioned diffusion model can generate specialized weights directly from task identifiers. We evaluate this approach across three scenarios: generating parameters for a single seen task, for multiple seen tasks, and for entirely unseen tasks. Experiments show that diffusion models can generate accurate task-specific parameters and support multi-task interpolation when parameter subspaces are well-structured, but fail to generalize to unseen tasks, highlighting both the potential and limitations of this generative solution.

cs.LG↗

arXiv2025

Risk-aware Direct Preference Optimization under Nested Risk Measure

When fine-tuning pre-trained Large Language Models (LLMs) to align with human values and intentions, maximizing the estimated reward can lead to superior performance, but it also introduces potential risks due to deviations from the reference model's intended behavior. Most existing methods typically introduce KL divergence to constrain deviations between the trained model and the reference model; however, this may not be sufficient in certain applications that require tight risk control. In this paper, we introduce Risk-aware Direct Preference Optimization (Ra-DPO), a novel approach that incorporates risk-awareness by employing a class of nested risk measures. This approach formulates a constrained risk-aware advantage function maximization problem and then converts the Bradley-Terry model into a token-level representation. The objective function maximizes the likelihood of the policy while suppressing the deviation between a trained model and the reference model using a sequential risk ratio, thereby enhancing the model's risk-awareness. Experimental results across three open-source datasets: IMDb Dataset, Anthropic HH Dataset, and AlpacaEval, demonstrate the proposed method's superior performance in balancing alignment performance and model drift. Our code is opensourced at https://github.com/zlj123-max/Ra-DPO.

cs.LG↗

arXiv2025

Discounted Online Convex Optimization: Uniform Regret Across a Continuous Interval

Reflecting the greater significance of recent history over the distant past in non-stationary environments, $λ$-discounted regret has been introduced in online convex optimization (OCO) to gracefully forget past data as new information arrives. When the discount factor $λ$ is given, online gradient descent with an appropriate step size achieves an $O(1/\sqrt{1-λ})$ discounted regret. However, the value of $λ$ is often not predetermined in real-world scenarios. This gives rise to a significant open question: is it possible to develop a discounted algorithm that adapts to an unknown discount factor. In this paper, we affirmatively answer this question by providing a novel analysis to demonstrate that smoothed OGD (SOGD) achieves a uniform $O(\sqrt{\log T/1-λ})$ discounted regret, holding for all values of $λ$ across a continuous interval simultaneously. The basic idea is to maintain multiple OGD instances to handle different discount factors, and aggregate their outputs sequentially by an online prediction algorithm named as Discounted-Normal-Predictor (DNP) (Kapralov and Panigrahy,2010). Our analysis reveals that DNP can combine the decisions of two experts, even when they operate on discounted regret with different discount factors.

cs.LG↗

arXiv2025

Group Distributionally Robust Optimization with Flexible Sample Queries

Group distributionally robust optimization (GDRO) aims to develop models that perform well across $m$ distributions simultaneously. Existing GDRO algorithms can only process a fixed number of samples per iteration, either 1 or $m$, and therefore can not support scenarios where the sample size varies dynamically. To address this limitation, we investigate GDRO with flexible sample queries and cast it as a two-player game: one player solves an online convex optimization problem, while the other tackles a prediction with limited advice (PLA) problem. Within such a game, we propose a novel PLA algorithm, constructing appropriate loss estimators for cases where the sample size is either 1 or not, and updating the decision using follow-the-regularized-leader. Then, we establish the first high-probability regret bound for non-oblivious PLA. Building upon the above approach, we develop a GDRO algorithm that allows an arbitrary and varying sample size per round, achieving a high-probability optimization error bound of $O\left(\frac{1}{t}\sqrt{\sum_{j=1}^t \frac{m}{r_j}\log m}\right)$, where $r_t$ denotes the sample size at round $t$. This result demonstrates that the optimization error decreases as the number of samples increases and implies a consistent sample complexity of $O(m\log (m)/ε^2)$ for any fixed sample size $r\in[m]$, aligning with existing bounds for cases of $r=1$ or $m$. We validate our approach on synthetic binary and real-world multi-class datasets.

cs.LG↗

arXiv2025

Underwater Image Enhancement via Dehazing and Color Restoration

Underwater visual imaging is crucial for marine engineering, but it suffers from low contrast, blurriness, and color degradation, which hinders downstream analysis. Existing underwater image enhancement methods often treat the haze and color cast as a unified degradation process, neglecting their inherent independence while overlooking their synergistic relationship. To overcome this limitation, we propose a Vision Transformer (ViT)-based network (referred to as WaterFormer) to improve underwater image quality. WaterFormer contains three major components: a dehazing block (DehazeFormer Block) to capture the self-correlated haze features and extract deep-level features, a Color Restoration Block (CRB) to capture self-correlated color cast features, and a Channel Fusion Block (CFB) that dynamically integrates these decoupled features to achieve comprehensive enhancement. To ensure authenticity, a soft reconstruction layer based on the underwater imaging physics model is included. Further, a Chromatic Consistency Loss and Sobel Color Loss are designed to respectively preserve color fidelity and enhance structural details during network training. Comprehensive experimental results demonstrate that WaterFormer outperforms other state-of-the-art methods in enhancing underwater images.

cs.CV↗

arXiv2025

Advancing Tool-Augmented Large Language Models: Integrating Insights from Errors in Inference Trees

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to improve their reasoning capabilities on complex tasks. This enables them to act as intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2023] utilizes the depth-first search-based decision tree (DFSDT) mechanism for multi-step reasoning with $16000+$ real-world APIs, effectively enhancing the performance of tool-augmented LLMs compared to traditional chain reasoning mechanisms. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT), missing out on the potential learning opportunities from failed paths. Inspired by this, we propose an inference trajectory optimization framework based on preference learning to address this limitation. We first introduce a novel method for constructing step-wise preference data from tree-like expert trajectories, which leverages the previously ignored failed explorations in the decision trees. In the subsequent training phase, we first fine-tune the LLM with successful tool-usage expert trajectories and then apply direct preference optimization (DPO) with the preference data to update the LLM's policy, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. This approach not only enhances the utilization of original expert data but also broadens the learning space of the model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.

cs.CL↗

arXiv2025

Generalizability of Neural Networks Minimizing Empirical Risk Based on Expressive Ability

The primary objective of learning methods is generalization. Classic uniform generalization bounds, which rely on VC-dimension or Rademacher complexity, fail to explain the significant attribute that over-parameterized models in deep learning exhibit nice generalizability. On the other hand, algorithm-dependent generalization bounds, like stability bounds, often rely on strict assumptions. To establish generalizability under less stringent assumptions, this paper investigates the generalizability of neural networks that minimize or approximately minimize empirical risk. We establish a lower bound for population accuracy based on the expressiveness of these networks, which indicates that with an adequate large number of training samples and network sizes, these networks, including over-parameterized ones, can generalize effectively. Additionally, we provide a necessary condition for generalization, demonstrating that, for certain data distributions, the quantity of training data required to ensure generalization exceeds the network size needed to represent the corresponding data distribution. Finally, we provide theoretical insights into several phenomena in deep learning, including robust generalization, importance of over-parameterization, and effect of loss function on generalization.

cs.LG↗

arXiv2025

Dual Consolidation for Pre-Trained Model-Based Domain-Incremental Learning

Domain-Incremental Learning (DIL) involves the progressive adaptation of a model to new concepts across different domains. While recent advances in pre-trained models provide a solid foundation for DIL, learning new concepts often results in the catastrophic forgetting of pre-trained knowledge. Specifically, sequential model updates can overwrite both the representation and the classifier with knowledge from the latest domain. Thus, it is crucial to develop a representation and corresponding classifier that accommodate all seen domains throughout the learning process. To this end, we propose DUal ConsolidaTion (Duct) to unify and consolidate historical knowledge at both the representation and classifier levels. By merging the backbone of different stages, we create a representation space suitable for multiple domains incrementally. The merged representation serves as a balanced intermediary that captures task-specific features from all seen domains. Additionally, to address the mismatch between consolidated embeddings and the classifier, we introduce an extra classifier consolidation process. Leveraging class-wise semantic information, we estimate the classifier weights of old domains within the latest embedding space. By merging historical and estimated classifiers, we align them with the consolidated embedding space, facilitating incremental classification. Extensive experimental results on four benchmark datasets demonstrate Duct's state-of-the-art performance. Code is available at https://github.com/Estrella-fugaz/CVPR25-Duct

cs.CV↗

arXiv2025

Towards Large Language Model Guided Kernel Direct Fuzzing

Direct kernel fuzzing is a targeted approach that focuses on specific areas of the kernel, effectively addressing the challenges of frequent updates and the inherent complexity of operating systems, which are critical infrastructure. This paper introduces SyzAgent, a framework that integrates LLMs with the state-of-the-art kernel fuzzer Syzkaller, where the LLMs are used to guide the mutation and generation of test cases in real-time. We present preliminary results demonstrating that this method is effective on around 67\% cases in our benchmark during the experiment.

cs.SE↗

arXiv2025

Octopus: Alleviating Hallucination via Dynamic Contrastive Decoding

Large Vision-Language Models (LVLMs) have obtained impressive performance in visual content understanding and multi-modal reasoning. Unfortunately, these large models suffer from serious hallucination problems and tend to generate fabricated responses. Recently, several Contrastive Decoding (CD) strategies have been proposed to alleviate hallucination by introducing disturbed inputs. Although great progress has been made, these CD strategies mostly apply a one-size-fits-all approach for all input conditions. In this paper, we revisit this process through extensive experiments. Related results show that hallucination causes are hybrid and each generative step faces a unique hallucination challenge. Leveraging these meaningful insights, we introduce a simple yet effective Octopus-like framework that enables the model to adaptively identify hallucination types and create a dynamic CD workflow. Our Octopus framework not only outperforms existing methods across four benchmarks but also demonstrates excellent deployability and expansibility. Code is available at https://github.com/LijunZhang01/Octopus.

cs.CV↗

arXiv2025

PVBF: A Framework for Mitigating Parameter Variation Imbalance in Online Continual Learning

Online continual learning (OCL), which enables AI systems to adaptively learn from non-stationary data streams, is commonly achieved using experience replay (ER)-based methods that retain knowledge by replaying stored past during training. However, these methods face challenges of prediction bias, stemming from deviations in parameter update directions during task transitions. This paper identifies parameter variation imbalance as a critical factor contributing to prediction bias in ER-based OCL. Specifically, using the proposed parameter variation evaluation method, we highlight two types of imbalance: correlation-induced imbalance, where certain parameters are disproportionately updated across tasks, and layer-wise imbalance, where output layer parameters update faster than those in preceding layers. To mitigate the above imbalances, we propose the Parameter Variation Balancing Framework (PVBF), which incorporates: 1) a novel method to compute parameter correlations with previous tasks based on parameter variations, 2) an encourage-and-consolidate (E&C) method utilizing parameter correlations to perform gradient adjustments across all parameters during training, 3) a dual-layer copy weights with reinit (D-CWR) strategy to slowly update output layer parameters for frequently occuring sample categories. Experiments on short and long task sequences demonstrate that PVBF significantly reduces prediction bias and improves OCL performance, achieving up to 47\% higher accuracy compared to existing ER-based methods.

cs.LG↗

arXiv2025

Preference Alignment on Diffusion Model: A Comprehensive Survey for Image Generation and Editing

The integration of preference alignment with diffusion models (DMs) has emerged as a transformative approach to enhance image generation and editing capabilities. Although integrating diffusion models with preference alignment strategies poses significant challenges for novices at this intersection, comprehensive and systematic reviews of this subject are still notably lacking. To bridge this gap, this paper extensively surveys preference alignment with diffusion models in image generation and editing. First, we systematically review cutting-edge optimization techniques such as reinforcement learning with human feedback (RLHF), direct preference optimization (DPO), and others, highlighting their pivotal role in aligning preferences with DMs. Then, we thoroughly explore the applications of aligning preferences with DMs in autonomous driving, medical imaging, robotics, and more. Finally, we comprehensively discuss the challenges of preference alignment with DMs. To our knowledge, this is the first survey centered on preference alignment with DMs, providing insights to drive future innovation in this dynamic area.

cs.CV↗

arXiv2025

Invariant Correlation of Representation with Label: Enhancing Domain Generalization in Noisy Environments

The Invariant Risk Minimization (IRM) approach aims to address the challenge of domain generalization by training a feature representation that remains invariant across multiple environments. However, in noisy environments, IRM-related techniques such as IRMv1 and VREx may be unable to achieve the optimal IRM solution, primarily due to erroneous optimization directions. To address this issue, we introduce ICorr (an abbreviation for Invariant Correlation), a novel approach designed to surmount the above challenge in noisy settings. Additionally, we dig into a case study to analyze why previous methods may lose ground while ICorr can succeed. Through a theoretical lens, particularly from a causality perspective, we illustrate that the invariant correlation of representation with label is a necessary condition for the optimal invariant predictor in noisy environments, whereas the optimization motivations for other methods may not be. Furthermore, we empirically demonstrate the effectiveness of ICorr by comparing it with other domain generalization methods on various noisy datasets. The code is available at https://github.com/Alexkael/ICorr.

cs.LG↗

arXiv2025

Patch Synthesis for Property Repair of Deep Neural Networks

Deep neural networks (DNNs) are prone to various dependability issues, such as adversarial attacks, which hinder their adoption in safety-critical domains. Recently, NN repair techniques have been proposed to address these issues while preserving original performance by locating and modifying guilty neurons and their parameters. However, existing repair approaches are often limited to specific data sets and do not provide theoretical guarantees for the effectiveness of the repairs. To address these limitations, we introduce PatchPro, a novel patch-based approach for property-level repair of DNNs, focusing on local robustness. The key idea behind PatchPro is to construct patch modules that, when integrated with the original network, provide specialized repairs for all samples within the robustness neighborhood while maintaining the network's original performance. Our method incorporates formal verification and a heuristic mechanism for allocating patch modules, enabling it to defend against adversarial attacks and generalize to other inputs. PatchPro demonstrates superior efficiency, scalability, and repair success rates compared to existing DNN repair methods, i.e., realizing provable property-level repair for 100% cases across multiple high-dimensional datasets.

cs.LG↗

arXiv2025

Revisiting Projection-Free Online Learning with Time-Varying Constraints

We investigate constrained online convex optimization, in which decisions must belong to a fixed and typically complicated domain, and are required to approximately satisfy additional time-varying constraints over the long term. In this setting, the commonly used projection operations are often computationally expensive or even intractable. To avoid the time-consuming operation, several projection-free methods have been proposed with an $\mathcal{O}(T^{3/4} \sqrt{\log T})$ regret bound and an $\mathcal{O}(T^{7/8})$ cumulative constraint violation (CCV) bound for general convex losses. In this paper, we improve this result and further establish \textit{novel} regret and CCV bounds when loss functions are strongly convex. The primary idea is to first construct a composite surrogate loss, involving the original loss and constraint functions, by utilizing the Lyapunov-based technique. Then, we propose a parameter-free variant of the classical projection-free method, namely online Frank-Wolfe (OFW), and run this new extension over the online-generated surrogate loss. Theoretically, for general convex losses, we achieve an $\mathcal{O}(T^{3/4})$ regret bound and an $\mathcal{O}(T^{3/4} \log T)$ CCV bound, both of which are order-wise tighter than existing results. For strongly convex losses, we establish new guarantees of an $\mathcal{O}(T^{2/3})$ regret bound and an $\mathcal{O}(T^{5/6})$ CCV bound. Moreover, we also extend our methods to a more challenging setting with bandit feedback, obtaining similar theoretical findings. Empirically, experiments on real-world datasets have demonstrated the effectiveness of our methods.

cs.LG↗

arXiv2025

Self-adaptive vision-language model for 3D segmentation of pulmonary artery and vein

Accurate segmentation of pulmonary structures iscrucial in clinical diagnosis, disease study, and treatment planning. Significant progress has been made in deep learning-based segmentation techniques, but most require much labeled data for training. Consequently, developing precise segmentation methods that demand fewer labeled datasets is paramount in medical image analysis. The emergence of pre-trained vision-language foundation models, such as CLIP, recently opened the door for universal computer vision tasks. Exploiting the generalization ability of these pre-trained foundation models on downstream tasks, such as segmentation, leads to unexpected performance with a relatively small amount of labeled data. However, exploring these models for pulmonary artery-vein segmentation is still limited. This paper proposes a novel framework called Language-guided self-adaptive Cross-Attention Fusion Framework. Our method adopts pre-trained CLIP as a strong feature extractor for generating the segmentation of 3D CT scans, while adaptively aggregating the cross-modality of text and image representations. We propose a s pecially designed adapter module to fine-tune pre-trained CLIP with a self-adaptive learning strategy to effectively fuse the two modalities of embeddings. We extensively validate our method on a local dataset, which is the largest pulmonary artery-vein CT dataset to date and consists of 718 labeled data in total. The experiments show that our method outperformed other state-of-the-art methods by a large margin. Our data and code will be made publicly available upon acceptance.

cs.CV↗

arXiv2025

AHMSA-Net: Adaptive Hierarchical Multi-Scale Attention Network for Micro-Expression Recognition

Micro-expression recognition (MER) presents a significant challenge due to the transient and subtle nature of the motion changes involved. In recent years, deep learning methods based on attention mechanisms have made some breakthroughs in MER. However, these methods still suffer from the limitations of insufficient feature capture and poor dynamic adaptation when coping with the instantaneous subtle movement changes of micro-expressions. Therefore, in this paper, we design an Adaptive Hierarchical Multi-Scale Attention Network (AHMSA-Net) for MER. Specifically, we first utilize the onset and apex frames of the micro-expression sequence to extract three-dimensional (3D) optical flow maps, including horizontal optical flow, vertical optical flow, and optical flow strain. Subsequently, the optical flow feature maps are inputted into AHMSA-Net, which consists of two parts: an adaptive hierarchical framework and a multi-scale attention mechanism. Based on the adaptive downsampling hierarchical attention framework, AHMSA-Net captures the subtle changes of micro-expressions from different granularities (fine and coarse) by dynamically adjusting the size of the optical flow feature map at each layer. Based on the multi-scale attention mechanism, AHMSA-Net learns micro-expression action information by fusing features from different scales (channel and spatial). These two modules work together to comprehensively improve the accuracy of MER. Additionally, rigorous experiments demonstrate that the proposed method achieves competitive results on major micro-expression databases, with AHMSA-Net achieving recognition accuracy of up to 78.21% on composite databases (SMIC, SAMM, CASMEII) and 77.08% on the CASME^{}3 database.

cs.CV↗