GenAI4ELab/papercli-papers huggingface dataset:
Exploit Your Latents: Coarse-Grained Protein Backmapping with Latent Diffusion Models
Authors: Rongchao Zhang; Yu Huang; Yiwei Lou; Yi Xin; Haixu Chen; Yongzhi Cao; Hanpin Wang
Venue: AAAI 2025 (main)

Abstract: Coarse-grained (CG) molecular dynamics of proteins is a preferred approach to studying large molecules on extended time scales by condensing the entire atomic model into a limited number of pseudo-atoms and preserving the thermodynamic properties of the system. However, the significantly increased efficiency impedes the analysis of substantial physicochemical information, since high-resolution atomic details are sacrificed to accelerate simulation. In this paper, we propose LatCPB, a generative approach based on diffusion that enables high-resolution backmapping of CG proteins. Specifically, our model encodes an all-atom into discrete latent embeddings, aligned with learnable multimodal discrete priors for circumventing posterior collapse and maintaining the discrete properties of the protein sequence. During the generation, we further design a latent diffusion process within the continuous latent space due to the potential stochastics in the data. Moreover, LatCPB performs a contrastive learning strategy in latent space to separate feature representations of various molecules and conformations of the same molecule, thus enhancing the comprehension of molecular representational diversity. Experimental results demonstrate that LatCPB is able to backmap CG proteins effectively and achieve outstanding performance.
TC-Diffuser: Bi-Condition Multi-Modal Diffusion for Tropical Cyclone Forecasting
Authors: Shiqi Zhang; Pan Mu; Cheng Huang; Jinglin Zhang; Cong Bai
Venue: AAAI 2025 (main)

Abstract: Tropical cyclones (TCs) are complex weather systems with strong winds and heavy rainfall, causing substantial loss of life and property. Therefore, accurate TC forecasting is crucial for the effective prevention of disasters caused by TCs. TC forecasting can be regarded as a spatio-temporal prediction problem. It has been proven that using multi-modal data can effectively introduce atmospheric information to achieve better prediction results and higher interpretability. But it also introduces inevitably introduces noise into the prediction process. The diffusion model's unique noise modeling capability can reduce prediction noise when using multi-modal datasets. However, adapting it to TC forecasting has two main challenges: how to extract valuable information from multi-modal data, and how to utilize them to guide the generation process. For the first challenge, while recent methods can predict multiple TC attributes using multi-modal data, they often overlook the interdependence of multiple attributes and the semantic gap between modalities. Considering the interdependence of attributes, we propose two condition generators that capture the commonalities and characteristics of TC attributes, extracting spatio-temporal and environmental features and incorporating expert knowledge. To reduce the semantic gap between multi-modal data, we introduce the PGSA-LSTM module to map primary and auxiliary modalities. For the second challenge, we propose a novel Bi-condition diffusion model that sequentially processes conditions from the characteristics to commonalities of attributes, thereby expanding the guidance information that the diffusion model can accept. Our results surpass state-of-the-art deep learning models and outperform the numerical weather prediction model used by the China Central Meteorological Observatory. TC-Diffuser shows high generalizability across global ocean areas, strong robustness in handling missing data, and higher computational efficiency.
Zero-Shot Learning for Materials Science Texts: Leveraging Duck Typing Principles
Authors: Xin Zhang; Peiliang Zhang; Jingling Yuan; Lin Li
Venue: AAAI 2025 (main)

Abstract: Materials science text mining (MSTM), involving tasks like property extraction and synthesis action retrieval, is pivotal for advancing research by deriving critical insights from scientific literature. Descriptors, serving as essential task labels, often vary in meaning depending on researchers' usage purposes across different mining tasks. (e.g., 'Material' can refer to both synthesis components and participants in fuel cell experiment). This meaning difference makes it difficult for existing methods, fine-tuned to specific task, to handle the same descriptors in other tasks. To overcome above limitation, we propose MatDuck, a simple and effective approach for Zero-Shot MSTM by evoking material knowledge within Large Language Models (LLMs). Specifically, inspired by the Duck Typing principles in programming languages, we present a ClassDefinition-Style Descriptor generation method that evokes task-specific characteristics to address usage variation. Subsequently, we introduce code-style in-context learning for zero-shot tasks, reframing them into code to leverage LLMs' proficiency in code understanding. Extensive experiments on eight benchmark datasets demonstrate that MatDuck, as a plug-and-play approach, significantly improves the Zero-Shot MSTM performance of LLMs by an average of 11.3% across seven tasks.
Formal Synthesis of Barrier Certificates Using Fourier Kolmogorov-Arnold Network
Authors: Xiongqi Zhang; Junwei Xu; Yang Wang; Dongming Xiang; Wang Lin; Zuohua Ding
Venue: AAAI 2025 (main)

Abstract: Barrier certificate generation is an efficient and powerful technique for formally verifying safety properties of cyber-physical systems. Feed-forward neural networks (FNNs) are commonly used to synthesize barrier certificates, but the fixed activation functions limit their efficiency and scalability. In this paper, we propose a novel method for generating barrier certificates using Fourier Kolmogorov-Arnold Networks (KANs). Specifically, it utilizes Fourier KANs to replace FNNs as the template of barrier certificates. Since Fourier KAN has learnable activation functions and uses trigonometric functions as its basis functions, it can efficiently improve the representation power and is easy to train for neural barrier certificates. Then, it formally verifies the validity of the candidate Fourier KAN barrier certificates using both the Lipschitz method and the Satisfiability Modulo Theories, improving the efficiency and success rate of verification. We implement the tool KAN4BC, and evaluate its performance over a set of benchmarks. The experimental results demonstrate the effectiveness and efficiency of our method.
Drawing Informative Gradients from Sources: A One-stage Transfer Learning Framework for Cross-city Spatiotemporal Forecasting
Authors: Yudong Zhang; Xu Wang; Xuan Yu; Zhaoyang Sun; Kai Wang; Yang Wang
Venue: AAAI 2025 (main)

Abstract: Spatiotemporal forecasting (STF) is pivotal in urban computing, yet data scarcity in developing cities hampers robust model training. Addressing this, recent studies leverage transfer learning to migrate knowledge from data-rich (source) to data-poor (target) cities. This strategy, while effective, faces challenges as pre-trained models risk absorbing noise and harmful information due to data distribution disparities, potentially undermining the accuracy of forecasts for target cities. To address this issue, we propose a one-stage STF framework named Target-Skewed Joint Training (TSJT). Central to TSJT is a novel Target-Skewed Backward training strategy that selectively refines gradients from source city data, preserving only the elements that positively impact the target city.  To further enhance the quality of these gradients, we have designed a Node Prompting Module (NPM).  TSJT is crafted for seamless integration with existing STF models, endowing them with the capability to efficiently tackle challenges stemming from data scarcity.  Experimental results on several real-world datasets from multiple cities substantiate the efficacy of TSJT in the realm of cross-city transfer learning.
A Gaussian Filter-Based 3D Registration Method for Series Section Electron Microscopy
Authors: Zhenbang Zhang; Hongjia Li; Zhiqiang Xu; Wenjia Meng; Renmin Han
Venue: AAAI 2025 (main)

Abstract: Series Section Electron Microscopy (ssEM) is a crucial technique for visualizing three-dimensional (3D) biological structures, which involves collecting electron microscopy images from a series of biological sections along the z-axis and reconstructing the 3D structure. 3D registration is an essential step in ssEM, designed to eliminate axial misalignment and nonlinear distortions introduced during sample sectioning. A significant challenge in 3D registration is eliminating nonlinear distortions while preserving natural deformations. In this paper, we present a new formulation of the 3D registration problem from a frequency domain perspective and propose a Gaussian filtering-based 3D registration method, which defines 3D registration as a superposition problem of high-frequency and low-frequency components. We extend the concept of a one-dimensional Gaussian filter to three-dimensional image stacks and integrate it with optical flow networks to consolidate the deformation field within the receptive field. Extensive experiments demonstrate that our method can successfully decouple nonlinear distortions and natural deformations in the frequency domain, proving superior to existing methods in rapidly and accurately eliminating nonlinear distortions and restoring biological structures, and has the potential to be extended to large datasets.
E4: Energy-Efficient DNN Inference for Edge Video Analytics via Early Exiting and DVFS
Authors: Ziyang Zhang; Yang Zhao; Ming-Ching Chang; Changyao Lin; Jie Liu
Venue: AAAI 2025 (main)

Abstract: Deep neural network (DNN) models are increasingly popular in edge video analytic applications. However, the computeintensive nature of DNN models pose challenges for energyefficient inference on resource-constrained edge devices. Most existing solutions focus on optimizing DNN inference latency and accuracy, often overlooking energy efficiency. They also fail to account for the varying complexity of video frames, leading to sub-optimal performance in edge video analytics. In this paper, we propose an EnergyEfficient Early-Exit (E4) framework that enhances DNN inference efficiency for edge video analytics by integrating a novel early-exit mechanism with dynamic voltage and frequency scaling (DVFS) governors. It employs an attentionbased cascade module to analyze video frame diversity and automatically determine optimal DNN exit points. Additionally, E4 features a just-in-time (JIT) profiler that uses coordinate descent search to co-optimize CPU and GPU clock frequencies for each layer before the DNN exit points. Extensive evaluations demonstrate that E4 outperforms current state-of-the-art methods, achieving up to 2.8× speedup and 26% average energy saving while maintaining high accuracy.
Multi-Perspective Consolidation Enhanced Cognitive Diagnosis via Conditional Diffusion Model
Authors: Guanhao Zhao; Zhenya Huang; Cheng Cheng; Yan Zhuang; Qingyang Mao; Xin Li; Shijin Wang; Enhong Chen
Venue: AAAI 2025 (main)

Abstract: Cognitive diagnosis, which assesses the learners' competence from learners' interaction logs, plays a vital role in education. It provides a crucial reference for gauging learners' proficiency levels and tailoring future learning activities accordingly. Researchers have proposed numerous cognitive diagnosis models to address this task. Despite their success, these models continue to face the ill-posed problem because of the information loss caused by under-expressive interaction function and incomplete observations. In this paper, we address these challenges by proposing a novel cognitive diagnosis model, DMC-CDM, based on the theoretical premise that cognitive states can be captured with minimal information loss by maximizing the mutual information between observed and potential observations. Specifically, DMC-CDM incorporates a semantic extractor to provide a comprehensive semantic understanding of learners' interaction logs, thereby enhancing current collaborative-based cognitive state representations. It then consolidates multi-perspective observations to capture precise cognitive states by maximizing mutual information between these observations. We conducted extensive experiments on three datasets, and the experimental results demonstrate that our proposed model is both effective and beneficial for downstream applications in education.
From Words to Worth: Newborn Article Impact Prediction with LLM
Authors: Penghai Zhao; Qinghua Xing; Kairan Dou; Jinyu Tian; Ying Tai; Jian Yang; Ming-Ming Cheng; Xiang Li
Venue: AAAI 2025 (main)

Abstract: Predicting the future impact of newly published articles is pivotal for advancing scientific discovery in an era of unprecedented scholarly expansion. This paper introduces a promising approach, leveraging the capabilities of LLMs to predict the future impact of newborn articles solely based on titles and abstracts. Breaking away from traditional methods heavily reliant on external data, we propose fine-tuning the LLM to uncover the intrinsic semantic patterns shared by highly impactful articles from a vast collection of text-score pairs. These semantic features are further utilized to predict the proposed indicator, TNCSIsp, which incorporates favorable normalization properties across value, field, and time. To facilitate parameter-efficient fine-tuning of the LLM, we have also meticulously curated a dataset containing over 12,000 entries, each annotated with titles, abstracts, and their corresponding TNCSIsp values. Experimental results reveal an MAE of 0.216 and an NDCG@20 of 0.901, setting new benchmarks in predicting the impact of newborn articles. Finally, we present a real-world application example for predicting the impact of newborn journal articles to demonstrate its noteworthy practical value. Overall, our findings challenge existing paradigms and propose a shift towards a more content-focused prediction of academic impact, offering new insights for article impact prediction.
DeNC: Unleash Neural Codecs in Video Streaming with Diffusion Enhancement
Authors: Qihua Zhou; Ruibin Li; Jingcai Guo; Yaodong Huang; Zhenda Xu; Laizhong Cui; Song Guo
Venue: AAAI 2025 (main)

Abstract: Recent years have witnessed the rise of Neural-enhanced Video Streaming (NeVS), which integrates neural restoration models into video codecs for higher compression-restoration performance. Despite its benefit, existing work has not well explored the full potential of NeVS paradigm, due to: (1) post-streaming restoration by decoder while lacking the proactive collaboration of encoder, (2) end-to-end optimization based on conventional rate-distortion theory, which has been verified that low distortion is not always a synonym for high perceptual quality, and (3) coupled design for domain-specific tasks that cannot generalize to various video codecs. Observing these limitations, our objective is not to incrementally present an improved restoration model. Instead, we focus on the encoder-decoder synergy, i.e., the codec, which is non-trivial since it inherently strikes the rate-distortion-perception trade-off of NeVS. Aiming at this target, we propose the Diffusion-enhanced Neural Codec (DeNC), a plug-and-play module for current NeVS paradigm, to significantly reduce the required bitrates while preserving high perceptual quality of restored videos. Our key design is twofold. First, DeNC improves the encoder's compression efficiency by simultaneously reducing the resolution and color bit-depth of frame referencing. Second, DeNC empowers the decoder with perception-oriented restoration capability by making its diffusion-based restoration process aware of the encoder's compression conditions. Real-world evaluations show that DeNC improves compression ratios with nearly an order of magnitude and achieves much higher restoration quality (e.g., 93+ VMAF and 23% higher MOS) over the latest baselines.
NumbOD: A Spatial-Frequency Fusion Attack Against Object Detectors
Authors: Ziqi Zhou; Bowen Li; Yufei Song; Zhifei Yu; Shengshan Hu; Wei Wan; Leo Yu Zhang; Dezhong Yao; Hai Jin
Venue: AAAI 2025 (main)

Abstract: With the advancement of deep learning, object detectors (ODs) with various architectures have achieved significant success in complex scenarios like autonomous driving. Previous adversarial attacks against ODs have been focused on designing customized attacks targeting their specific structures (eg, NMS and RPN), yielding some results but simultaneously constraining their scalability. Moreover, most efforts against ODs stem from image-level attacks originally designed for classification tasks, resulting in redundant computations and disturbances in object-irrelevant areas (eg, background). Consequently, how to design a model-agnostic efficient attack to comprehensively evaluate the vulnerabilities of ODs remains challenging and unresolved. In this paper, we propose NumbOD, a brand-new spatial-frequency fusion attack against various ODs, aimed at disrupting object detection within images. We directly leverage the features output by the OD without relying on its any internal structures to craft adversarial examples. Specifically, we first design a dual-track attack target selection strategy to select high-quality bounding boxes from OD outputs for targeting. Subsequently, we employ directional perturbations to shift and compress  predicted boxes and change classification results to deceive ODs. Additionally, we focus on manipulating the high-frequency components of images to confuse ODs' attention on critical objects, thereby enhancing the attack efficiency. Our extensive experiments on nine ODs and two datasets show that NumbOD achieves powerful attack performance and high stealthiness.
Collaborative Evolution: Multi-Round Learning Between Large and Small Language Models for Emergent Fake News Detection
Authors: Ziyi Zhou; Xiaoming Zhang; Shenghan Tan; Litian Zhang; Chaozhuo Li
Venue: AAAI 2025 (main)

Abstract: The proliferation of fake news on social media platforms has exerted a substantial influence on society, leading to discernible impacts and deleterious consequences. Conventional deep learning methodologies employing small language models (SLMs) suffer from the necessity for extensive supervised training and the challenge of adapting to rapidly evolving circumstances. Large language models (LLMs), despite their robust zero-shot capabilities, have fallen short in effectively identifying fake news due to a lack of pertinent demonstrations and the dynamic nature of knowledge. In this paper, a novel framework Multi-Round Collaboration Detection (MRCD) is proposed to address these aforementioned limitations. The MRCD framework is capable of enjoying the merits from both LLMs and SLMs by integrating their generalization abilities and specialized functionalities, respectively. Our approach features a two-stage retrieval module that selects relevant and up-to-date demonstrations and knowledge, enhancing in-context learning for better detection of emerging news events. We further design a multi-round learning framework to ensure more reliable detection results. Our framework MRCD achieves SOTA results on two real-world datasets Pheme and Twitter16, with accuracy improvements of 7.4% and 12.8% compared to using only SLMs, which effectively addresses the limitations of current models and improves the detection of emergent fake news detection.
DUSTED: Dual-Attention Enhanced Spatial Transcriptomics Denoiser
Authors: Jun Zhu; Yifu Li; Zhenchao Tang; Cheng Chang
Venue: AAAI 2025 (main)

Abstract: Spatially Resolved Transcriptomics (SRT) has become an indispensable tool in various fields, including tumor microenvironment identification, neurobiology, and the study of complex tissue architecture.  However, the accuracy of these insights is often compromised by noise in spatial transcriptomics data due to technical limitations. While recent advancements in denoising methods have shown some promise, they frequently fall short by neglecting spatial features, overlooking the variability in noise levels among genes, and relying heavily on external histological images for supplementary information. In our study, we propose DUSTED, a Dual-Attention Enhanced Spatial Transcriptomics Denoiser, designed to address these challenges. Built on a graph autoencoder framework, DUSTED utilizes gene channel attention and graph attention mechanisms to simultaneously consider spatial features and noise variability in gene expression data. Additionally, it integrates the negative binomial distribution with or without zero-inflation, ensuring a more accurate fit for gene expression distributions. Benchmark tests using simulated datasets demonstrate that DUSTED outperforms existing methods. Furthermore, in real-world applications with the HOCWTA and DLPFC datasets, DUSTED excels in enhancing the correlation between gene and protein expression, recovering spatial gene expression patterns, and improving clustering results. These improvements underscore its potential impact on advancing our understanding of tumor microenvironments, neural tissue organization, and other biologically significant areas.
Multi-Modal Latent Variables for Cross-Individual Primary Visual Cortex Modeling and Analysis
Authors: Yu Zhu; Bo Lei; Chunfeng Song; Wanli Ouyang; Shan Yu; Tiejun Huang
Venue: AAAI 2025 (main)

Abstract: Elucidating the functional mechanisms of the primary visual cortex (V1) remains a fundamental challenge in systems neuroscience. Current computational models face two critical limitations, namely the challenge of cross-modal integration between partial neural recordings and complex visual stimuli, and the inherent variability in neural characteristics across individuals, including differences in neuron populations and firing patterns. To address these challenges, we present a multi-modal identifiable variational autoencoder (miVAE) that employs a two-level disentanglement strategy to map neural activity and visual stimuli into a unified latent space. This framework enables robust identification of cross-modal correlations through refined latent space modeling. We complement this with a novel score-based attribution analysis that traces latent variables back to their origins in the source data space. Evaluation on a large-scale mouse V1 dataset demonstrates that our method achieves state-of-the-art performance in cross-individual latent representation and alignment, without requiring subject-specific fine-tuning, and exhibits improved performance with increasing data size. Significantly, our attribution algorithm successfully identifies distinct neuronal subpopulations characterized by unique temporal patterns and stimulus discrimination properties, while simultaneously revealing stimulus regions that show specific sensitivity to edge features and luminance variations. This scalable framework offers promising applications not only for advancing V1 research but also for broader investigations in neuroscience.
Text-Guided Fine-grained Counterfactual Inference for Short Video Fake News Detection
Authors: Linlin Zong; Wenmin Lin; Jiahui Zhou; Xinyue Liu; Xianchao Zhang; Bo Xu; Shimin Wu
Venue: AAAI 2025 (main)

Abstract: Detecting fake news in short videos is crucial for combating misinformation. Existing methods utilize topic modeling and co-attention mechanism, overlooking the modality heterogeneity and resulting in suboptimal performance. To address this issue, we introduce Text-Guided Fine-grained Counterfactual Inference for Short Video Fake News detection (TGFC-SVFN). TGFC-SVFN leverages modality bias removal and teacher-model-enhanced inter-modal knowledge distillation to integrate the heterogeneous modalities in short videos. Specifically, we use causality-based reasoning prompts guided text as teacher model, which then transfers knowledge to the video and audio student models. Subsequently, a multi-head attention mechanism is employed to fuse information from different modalities. In each module, we utilize fine-grained counterfactual inference based on a diffusion model to eliminate modality bias. Experimental results on publicly available fake short video news datasets demonstrate that our method outperforms state-of-the-art techniques.