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Yunpeng Song, Jiawei Li, Yiheng Bian, Zhongmin Cai

Enhancing the intelligence of smart systems, such as smart homes, smart vehicles, and smart grids, critically depends on developing sophisticated planning capabilities that can anticipate the next desired function based on historical interactions. While existing methods view user behaviors as sequential data and apply models like RNNs and Transformers to predict future actions, they often fail to incorporate domain knowledge and capture personalized user preferences. In this paper, we propose a novel approach that incorporates LLM-enhanced logs and personalized prompts. Our approach first constructs a graph that captures individual behavior preferences derived from their interaction histories. This graph effectively transforms into a soft continuous prompt that precedes the sequence of user behaviors. Then our approach leverages the vast general knowledge and robust reasoning capabilities of a pretrained LLM to enrich the oversimplified and incomplete log records. By enhancing these logs semantically, our approach better understands the user's actions and intentions, especially for those rare events in the dataset. We evaluate the method across four real-world datasets from both smart vehicle and smart home settings. The findings validate the effectiveness of our LLM-enhanced description and personalized prompt, shedding light on potential ways to advance the intelligence of smart space.

Xiaozhuang Song, Yuzhao Tu, Hangting Ye, Wei Fan, Qingquan Zhang, Xiaoxue Wang, Tianshu Yu

Diffusion-based generative models have recently excelled in generating molecular conformations but struggled with the generalization issue -- models trained on one dataset may produce meaningless conformations on out-of-distribution molecules. On the other hand, distance geometry serves as a generalizable tool for the traditional computational chemistry methods of molecular conformation, which is predicated on the assumption that it is possible to adequately define the set of all potential conformations of any non-rigid molecular system using purely geometric constraints. In this work, we for the first time explicitly incorporate distance geometry constraints into pretraining phase of diffusion-based molecular generation models to improve the generalizability. Inspired by the classical distance geometry solution designed for solving the molecular distance geometry problem, we propose MiGDiff, a Metrization-Informed Geometric Diffusion framework. MiGDiff injects distance geometry constraints by pretraining the deep geometric diffusion backbone within the Metrization sampling approach, yielding a "Metrization-driven pretraining + Data-driven finetuning" paradigm. Experimental results demonstrate that MiGDiff outperforms state-of-the-art methods and possesses strong generalization capabilities, particularly on generating previously unseen molecules, revealing the vast untapped potential of combining traditional computational methods with deep generative models for 3D molecular generation.

Feng Shibo, Peilin Zhao, Liu Liu, Pengcheng Wu, Zhiqi Shen

Generative models have gained significant attention in multivariate time series forecasting (MTS), particularly due to their ability to generate high-fidelity samples. Forecasting the probability distribution of multivariate time series is a challenging yet practical task. Although some recent attempts have been made to handle this task, two major challenges persist: 1) some existing generative methods underperform in high-dimensional multivariate time series forecasting, which is hard to scale to higher dimensions; 2) The inherent high-dimensional multivariate attributes constrain the forecasting lengths of existing generative models. In this paper, we point out that discrete token representations can model high-dimensional MTS with faster inference time, and forecast the target with the long-term trends of itself can extend the forecasting length with high accuracy. Motivated by this, we propose a vector quantized framework called Hierarchical Discrete Transformer (HDT) that models time series into discrete token representations with l2 normalization enhanced vector quantized strategy, in which we transform the MTS forecasting into discrete tokens generation. To address the limitations of generative models in long-term forecasting, we propose a hierarchical discrete Transformer. This model captures the discrete long-term trend of the target at the low level and leverages this trend as a condition to generate the discrete representation of the target at the high level that introduces the features of target itself for extending the forecasting length in high-dimensional MTS. Extensive experiments on five popular MTS datasets verify the effectiveness of our proposed method. The source code will be released.

Yiwei Shi, Muning Wen, Qi Zhang, Weinan Zhang, Cunjia Liu, Weiru Liu

Reinforcement Learning has revolutionized decision-making processes in dynamic environments, yet it often struggles with autonomously detecting and achieving goals without clear feedback signals. For example, in a Source Term Estimation problem, the lack of precise environmental information makes it challenging to provide clear feedback signals and to define and evaluate how the source's location is determined. To address this challenge, the Autonomous Goal Detection and Cessation (AGDC) module was developed, enhancing various RL algorithms by incorporating a self-feedback mechanism for autonomous goal detection and cessation upon task completion. Our method effectively identifies and ceases undefined goals by approximating the agent's belief, significantly enhancing the capabilities of RL algorithms in environments with limited feedback. To validate effectiveness of our approach, we integrated AGDC with deep Q-Network, proximal policy optimization, and deep deterministic policy gradient algorithms, and evaluated its performance on the Source Term Estimation problem. The experimental results showed that AGDC-enhanced RL algorithms significantly outperformed traditional statistical methods such as infotaxis, entrotaxis, and dual control for exploitation and exploration, as well as a non-statistical random action selection method. These improvements were evident in terms of success rate, mean traveled distance, and search time, highlighting AGDC's effectiveness and efficiency in complex, real-world scenarios.

Yi Shi, Yun-Kai Wang, Xu-Peng Tian, Tie-Yi Zhang, Bing Yao, Hui Wang, Yong Shao, Cen-Cen Wang, Rong Zeng

The accurate assessment of sperm morphology is crucial in andrological diagnostics, where the segmentation of sperm images presents significant challenges. Existing approaches frequently rely on large annotated datasets and often struggle with the segmentation of overlapping sperm and the presence of dye impurities. To address these challenges, this paper first analyzes the issue of overlapping sperm tails from a geometric perspective and introduces a novel clustering algorithm, Con2Dis, which effectively segments overlapping tails by considering three essential factors: CONnectivity, CONformity, and DIStance. Building on this foundation, we propose an unsupervised method, SpeHeaTal, designed for the comprehensive segmentation of the SPErm HEAd and TAiL. SpeHeaTal employs the Segment Anything Model (SAM) to generate masks for sperm heads while filtering out dye impurities, utilizes Con2Dis to segment tails, and then applies a tailored mask splicing technique to produce complete sperm masks. Experimental results underscore the superior performance of SpeHeaTal, particularly in handling images with overlapping sperm.

Ziqi Sheng, Wei Lu, Xiangyang Luo, Jiantao Zhou, Xiaochun Cao

Image forgery localization (IFL) is a crucial technique for preventing tampered image misuse and protecting social safety. However, due to the rapid development of image tampering technologies, extracting more comprehensive and accurate forgery clues remains an urgent challenge. To address these challenges, we introduce a novel information-theoretic IFL framework named SUMI-IFL that imposes sufficiency-view and minimality-view constraints on forgery feature representation. First, grounded in the theoretical analysis of mutual information, the sufficiency-view constraint is enforced on the feature extraction network to ensure that the latent forgery feature contains comprehensive forgery clues. Considering that forgery clues obtained from a single aspect alone may be incomplete, we construct the latent forgery feature by integrating several orthogonal individual image features. Second, based on the information bottleneck, the minimality-view constraint is imposed on the feature reasoning network to achieve an accurate and concise forgery feature representation that counters the interference of task-unrelated features. Extensive experiments show the superior performance of SUMI-IFL to existing state-of-the-art methods, not only on in-dataset comparisons but also on cross-dataset comparisons.

Guobin Shen, Dongcheng Zhao, Aorigele Bao, Xiang He, Yiting Dong, Yi Zeng

Human beings often experience stress, which can significantly influence their performance. This study explores whether Large Language Models (LLMs) exhibit stress responses similar to those of humans and whether their performance fluctuates under different stress-inducing prompts. To investigate this, we developed a novel set of prompts, termed StressPrompt, designed to induce varying levels of stress. These prompts were derived from established psychological frameworks and carefully calibrated based on ratings from human participants. We then applied these prompts to several LLMs to assess their responses across a range of tasks, including instruction-following, complex reasoning, and emotional intelligence. The findings suggest that LLMs, like humans, perform optimally under moderate stress, consistent with the Yerkes-Dodson law. Notably, their performance declines under both low and high-stress conditions. Our analysis further revealed that these StressPrompts significantly alter the internal states of LLMs, leading to changes in their neural representations that mirror human responses to stress. This research provides critical insights into the operational robustness and flexibility of LLMs, demonstrating the importance of designing AI systems capable of maintaining high performance in real-world scenarios where stress is prevalent, such as in customer service, healthcare, and emergency response contexts. Moreover, this study contributes to the broader AI research community by offering a new perspective on how LLMs handle different scenarios and their similarities to human cognition.

Huiru Shao, Kaizhu Huang, Wei Wang, Xiaowei Huang, Qiufeng Wang

Marvelous advances have been exhibited in recent document tampering localization (DTL) systems. However, confronted with corrupted tampered document images, their vulnerability is fatal in real-world scenarios. While robustness against adversarial attack has been extensively studied by adversarial training (AT), the robustness on natural corruptions remains under-explored for DTL. In this paper, to overcome forensic dependency, we propose the adversarial forensic regularization (AFR) based on min-max optimization to improve robustness. Specifically, we adopt mutual information (MI) to represent forensic dependency between two random variable over tampered and authentic pixels spaces, where the MI can be approximated by Jensen-Shannon-Divergence (JSD) with empirical sampling. To further enable a trade-off between predictive representations in clean tampered document pixels and robust ones in corrupted pixels, an additional regularization term is formulated with divergence between clean and perturbed pixels distribution (DDR). Following min-max optimization framework, our method can also work well against adversarial attacks. To evaluate our proposed method, we collect a dataset (i.e., TSorie-CRP) for evaluating robustness against natural corruptions in real scenarios. Extensive experiments demonstrate the effectiveness of our method against natural corruptions. Without any surprise, our method also achieves good performance against adversarial attack on DTL benchmark datasets.

Chenfan Qu, Yiwu Zhong, Fengjun Guo, Lianwen Jin

The rapid advancements of generative AI have fueled the potential of generative text image editing, meanwhile escalating the threat of misinformation spreading. However, existing forensics methods struggle to detect unseen forgery types that they have not been trained on, underscoring the need for a model capable of generalized detection of tampered scene text. To tackle this, we propose a novel task: open-set tampered scene text detection, which evaluates forensics models on their ability to identify both seen and previously unseen forgery types. We have curated a comprehensive, high-quality dataset, featuring the texts tampered by eight text editing models, to thoroughly assess the open-set generalization capabilities. Further, we introduce a novel and effective pre-training paradigm that subtly alters the texture of selected texts within an image and trains the model to identify these regions. This approach not only mitigates the scarcity of high-quality training data but also enhances models' fine-grained perception and open-set generalization abilities. Additionally, we present DAF, a novel framework that improves open-set generalization by distinguishing between the features of authentic and tampered text, rather than focusing solely on the tampered text's features. Our extensive experiments validate the remarkable efficacy of our methods. For example, our zero-shot performance can even beat the previous state-of-the-art full-shot model by a large margin.

Xing Qiu, Guang Cheng, Weizhou Zhu, Dandan Niu, Nan Fu

Traffic classification is crucial for network management and security. Recently, deep learning-based methods have demonstrated good performance in traffic classification. However, they primarily capture features from raw packet bytes, overlooking the significance of inter-packet correlations within flows from a global perspective. Additionally, effectively handling both packet-length and temporal information, while extracting the structural relationships from a graph into the model, remains a challenge for enhancing the performance of traffic prediction. In this paper, we propose DigTraffic, a novel dual-channel interactive graph transformer to address these limitations. DigTraffic employs a message-level graph-structured flow representation combined with message-aware structural aggregation. To learn intrinsic flow representations, DigTraffic constructs traffic interaction graphs, by incorporating three well-designed heterogeneous types of edges to capture client-server interactions. After that, we separately encode lengthy and temporal flow sequences using a dual-channel network and fuse these modalities within a Transformer architecture. Furthermore, DigTraffic introduces a message-aware Graph Transformer that leverages both node embeddings and edge spatial relations to capture complex graph structures and rich structural information. Experimental results demonstrate that our method significantly outperforms the state-of-the-art methods on four real-world traffic datasets.

Jiaxin Qi, Yan Cui, Kailei Guo, Xiaomin Zhang, Jianqiang Huang, Gaogang Xie

Single-cell transcriptomics describes complex molecular features at the individual cell level, serving various roles in biological research, such as enhancing gene expression and predicting drug responses. Due to transcriptomic data structurally resembling sequential data, many researchers have trained numerous transformers on extensive transcriptomic datasets. However, they have consistently neglected to explore the intrinsic properties of the data and the appropriateness of their chosen model architecture. In this paper, we carefully investigate the nature of transcriptomics, identifying three overlooked problems: 1) long-tailed data problem, 2) model selection problem, and 3) evaluation problem. Consequently, by applying the weighted sampling strategy, we address the long-tailed data problem and achieve consistent improvement across all settings. By adapting different model structures to transcriptomic data, we discover that transformers are not the only option. By developing three downstream tasks and fair evaluation metrics, we establish a simple and comprehensive benchmark to validate the effectiveness of models for transcriptomics. Through extensive experiments, we clarify the misunderstandings in the traditional methods and provide competitive baselines, thereby paving the way for future research in this field.

Gaozheng Pei, Shaojie Lyu, Ke Ma, Pinci Yang, Qianqian Xu, Yingfei Sun

Data-free model stealing involves replicating the functionality of a target model into a substitute model without accessing the target model's structure, parameters, or training data. Instead, the adversary can only access the target model's predictions for generated samples. Once the substitute model closely approximates the behavior of the target model, attackers can exploit its white-box characteristics for subsequent malicious activities, such as adversarial attacks. Existing methods within cooperative game frameworks often produce samples with high confidence for the prediction of the substitute model, which makes it difficult for the substitute model to replicate the behavior of the target model. This paper presents a new data-free model stealing approach called Query Efficient Data Generation (QEDG). We introduce two distinct loss functions to ensure the generation of sufficient samples that closely and uniformly align with the target model's decision boundary across multiple classes. Building on the limitation of current methods, which typically yield only one piece of supervised information per query, we propose the query-free sample augmentation that enables the acquisition of additional supervised information without increasing the number of queries. Motivated by theoretical analysis, we adopt the consistency rate metric, which more accurately evaluates the similarity between the substitute and target models. We conducted extensive experiments to verify the effectiveness of our proposed method, which achieved better performance with fewer queries compared to the state-of-the-art methods on the real MLaaS scenario and five datasets.

Jimin Park, AHyun Ji, Minji Park, Mohammad Saidur Rahman, Se Eun Oh

Continual Learning (CL) for malware classification tackles the rapidly evolving nature of malware threats and the frequent emergence of new types. Generative Replay (GR)-based CL systems utilize a generative model to produce synthetic versions of past data, which are then combined with new data to retrain the primary model. Traditional machine learning techniques in this domain often struggle with catastrophic forgetting, where a model's performance on old data degrades over time. In this paper, we introduce a GR-based CL system that employs Generative Adversarial Networks (GANs) with feature matching loss to generate high-quality malware samples. Additionally, we implement innovative selection schemes for replay samples based on the model’s hidden representations. Our comprehensive evaluation across Windows and Android malware datasets in a class-incremental learning scenario -- where new classes are introduced continuously over multiple tasks -- demonstrates substantial performance improvements over previous methods. For example, our system achieves an average accuracy of 55% on Windows malware samples, significantly outperforming other GR-based models by 28%. This study provides practical insights for advancing GR-based malware classification systems.

Pedro Orvalho, Mikoláš Janota, Vasco M. Manquinho

Automated Program Repair (APR) for introductory programming assignments (IPAs) is motivated by the large number of student enrollments in programming courses each year. Since providing feedback on programming assignments requires substantial time and effort from faculty, personalized automated feedback often involves suggesting repairs to students' programs. Symbolic semantic repair approaches, which rely on Formal Methods (FM), check a program's execution against a test suite or reference solution, are effective but limited. These tools excel at identifying buggy parts but can only fix programs if the correct implementation and the faulty one share the same control flow graph. Conversely, Large Language Models (LLMs) are used for program repair but often make extensive rewrites instead of minimal adjustments. This tends to lead to more invasive fixes, making it harder for students to learn from their mistakes. In summary, LLMs excel at completing strings, while FM-based fault localization excel at identifying buggy parts of a program. In this paper, we propose a novel approach that combines the strengths of both FM-based fault localization and LLMs, via zero-shot learning, to enhance APR for IPAs. Our method uses MaxSAT-based fault localization to identify buggy parts of a program, then presents the LLM with a program sketch devoid of these buggy statements. This hybrid approach follows a Counterexample Guided Inductive Synthesis (CEGIS) loop to iteratively refine the program. We ask the LLM to synthesize the missing parts, which are then checked against a test suite. If the suggested program is incorrect, a counterexample from the test suite is fed back to the LLM for revised synthesis. Our experiments on 1,431 incorrect student programs show that our counterexample guided approach, using MaxSAT-based bug-free program sketches, significantly improves the repair capabilities of all six evaluated LLMs. This method allows LLMs to repair more programs and produce smaller fixes, outperforming other configurations and state-of-the-art symbolic program repair tools.

Zhibin Ni, Chang Liu, Hai Wan, Xibin Zhao

Heterogeneous Graph Neural Networks (HGNNs) have achieved state-of-the-art performance in classifying molecular graphs, capitalizing on their ability to capture rich semantics. However, HGNNs for molecule property prediction exhibit significant susceptibility to adversarial attacks—a challenge that prior research has entirely overlooked. To fill this gap, this paper introduces the first study focused on robust graph-level representation learning tailored for heterogeneous molecular graphs. To achieve this goal, we propose a comprehensive Robust Heterogeneous Graph Classification (RHGC) framework grounded in the Information Bottleneck principle, which aims to identify the most informative and least noisy heterogeneous subgraphs to derive robust, holistic representations. This is specifically accomplished through a dedicated Node Semantic Purifier, which enhances node-level and semantic-level robustness by eliminating label-irrelevant interference using graph stochastic attention and the Hilbert-Schmidt Independence Criterion, along with a Global Graph Disentanglement method, which improves graph-level robustness by addressing information leak. Experiments on three molecular benchmarks demonstrate that RHGC enhances accuracy by an average of 5.06% under all three attack settings and meanwhile by 4.33% on clean data.

Li Ni, Rui Ye, Wenjian Luo, Yiwen Zhang, Lei Zhang, Victor S. Sheng

Most existing semi-supervised community detection algorithms leverage known communities to learn community structures, subsequently identifying communities that align with these learned community structures. However, differences in community structures may render the community structures learned by these methods inappropriate for the community containing the given node of interest. As a result, the identified community may exclude the given node or be of poor quality. Inspired by the success of reinforcement learning, we propose a Semi-supervised Local community detection method based on Reinforcement Learning, named SLRL, which only explores parts of the network surrounding the given node. It first extracts the local structure around a given node with an extractor, followed by selecting communities that are similar to this local structure to distill useful communities. These selected communities are employed to train the expander, which expands the community containing a given node. Experimental results demonstrate that SLRL outperforms state-of-the-art algorithms on five real-world datasets.

Yuwei Miao, Yuzhi Guo, Hehuan Ma, Jingquan Yan, Feng Jiang, Rui Liao, Junzhou Huang

Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and exhaustive wet lab experiments. Existing methods of automatic function annotation or prediction mainly focus on protein function prediction with sequence, 3D-structures or protein family information. In this study, we propose to tackle the gene function prediction problem by exploring Gene Ontology graph and annotation with BERT (GoBERT) to decipher the underlying relationships among gene functions. Our proposed novel function prediction task utilizes existing functions as inputs and generalizes the function prediction to gene and gene products. Specifically, two pre-train tasks are designed to jointly train GoBERT to capture both explicit and implicit relations of functions. Neighborhood prediction is a self-supervised multi-label classification task that captures the explicit function relations. Specified masking and recovering task helps GoBERT in finding implicit patterns among functions. The pre-trained GoBERT possess the ability to predict novel functions for various gene and gene products based on known functional annotations. Extensive experiments, biological case studies, and ablation studies are conducted to demonstrate the superiority of our proposed GoBERT.

Hui Miao, Yuanfang Guo, Zeming Liu, Yunhong Wang

With the malicious use and dissemination of multi-modal deepfake videos, researchers start to investigate multi-modal deepfake detection. Unfortunately, most of the existing methods tune all the parameters of the deep network with limited speech video datasets and are trained under coarse-grained consistency supervision, which hinders their generalization ability in practical scenarios. To solve these problems, in this paper, we propose the first multi-task audio-visual prompt learning method for multi-modal deepfake video detection, by exploiting multiple foundation models. Specifically, we construct a two-stream multi-task learning architecture and propose sequential visual prompts and short-time audio prompts to extract multi-modal features, which are aligned at the frame level and utilized in subsequent fine-grained feature matching and fusion. Due to the natural alignment of visual content and audio signal in real data, we propose a frame-level cross-modal feature matching loss function to learn the fine-grained audio-visual consistency. Comprehensive experiments demonstrate the effectiveness and superior generalization ability of our method against the state-of-the-art methods.

Jian-Ping Mei, Weibin Zhang, Jie Chen, Xuyun Zhang, Tiantian Zhu

Malicious users attempt to replicate commercial models functionally at low cost by training a clone model with query responses. It is challenging to timely prevent such model-stealing attacks to achieve strong protection and maintain utility. In this paper, we propose a novel non-parametric detector called Account-aware Distribution Discrepancy (ADD) to recognize queries from malicious users by leveraging account-wise local dependency. We formulate each class as a Multivariate Normal distribution (MVN) in the feature space and measure the malicious score as the sum of weighted class-wise distribution discrepancy. The ADD detector is combined with random-based prediction poisoning to yield a plug-and-play defense module named D-ADD for image classification models. Results of extensive experimental studies show that D-ADD achieves strong defense against different types of attacks with little interference in serving benign users for both soft and hard-label settings.

Takashi Matsubara, Takaharu Yaguchi

Physics-informed neural networks solve partial differential equations by training neural networks. Since this method approximates infinite-dimensional PDE solutions with finite collocation points, minimizing discretization errors by selecting suitable points is essential for accelerating the learning process. Inspired by number theoretic methods for numerical analysis, we introduce good lattice training and periodization tricks, which ensure the conditions required by the theory. Our experiments demonstrate that GLT requires 2-7 times fewer collocation points, resulting in lower computational cost, while achieving competitive performance compared to typical sampling methods.