Enhancing Topic Interpretability for Neural Topic Modeling through Topic-wise Contrastive Learning

Data mining and knowledge discovery are essential aspects of extracting valuable insights from vast datasets. Neural topic models (NTMs) have emerged as a valuable unsupervised tool in this field. However, the predominant objective in NTMs, which aims to discover topics maximizing data likelihood, often lacks alignment with the central goals of data mining and knowledge discovery which is to reveal interpretable insights from large data repositories. Overemphasizing likelihood maximization without incorporating topic regularization can lead to an overly expansive latent space for topic modeling. In this paper, we present an innovative approach to NTMs that addresses this misalignment by introducing contrastive learning measures to assess topic interpretability. We propose a novel NTM framework, named ContraTopic, that integrates a differentiable regularizer capable of evaluating multiple facets of topic interpretability throughout the training process. Our regularizer adopts a unique topic-wise contrastive methodology, fostering both internal coherence within topics and clear external distinctions among them. Comprehensive experiments conducted on three diverse datasets demonstrate that our approach consistently produces topics with superior interpretability compared to state-of-the-art NTMs.

CLDA-YOLO: Visual Contrastive Learning Based Domain Adaptive YOLO Detector

Unsupervised domain adaptive (UDA) algorithms can markedly enhance the performance of object detectors under conditions of domain shifts, thereby reducing the necessity for extensive labeling and retraining. Current domain adaptive object detection algorithms primarily cater to two-stage detectors, which tend to offer minimal improvements when directly applied to single-stage detectors such as YOLO. Intending to benefit the YOLO detector from UDA, we build a comprehensive domain adaptive architecture using a teacher-student cooperative system for the YOLO detector. In this process, we propose uncertainty learning to cope with pseudo-labeling generated by the teacher model with extreme uncertainty and leverage dynamic data augmentation to asymptotically adapt the teacher-student system to the environment. To address the inability of single-stage object detectors to align at multiple stages, we utilize a unified visual contrastive learning paradigm that aligns instance at backbone and head respectively, which steadily improves the robustness of the detectors in cross-domain tasks. In summary, we present an unsupervised domain adaptive YOLO detector based on visual contrastive learning (CLDA-YOLO), which achieves highly competitive results across multiple domain adaptive datasets without any reduction in inference speed.

Privacy-Preserving Federated Foundation Model for Generalist Ultrasound Artificial Intelligence

Ultrasound imaging is widely used in clinical diagnosis due to its non-invasive nature and real-time capabilities. However, conventional ultrasound diagnostics face several limitations, including high dependence on physician expertise and suboptimal image quality, which complicates interpretation and increases the likelihood of diagnostic errors. Artificial intelligence (AI) has emerged as a promising solution to enhance clinical diagnosis, particularly in detecting abnormalities across various biomedical imaging modalities. Nonetheless, current AI models for ultrasound imaging face critical challenges. First, these models often require large volumes of labeled medical data, raising concerns over patient privacy breaches. Second, most existing models are task-specific, which restricts their broader clinical utility. To overcome these challenges, we present UltraFedFM, an innovative privacy-preserving ultrasound foundation model. UltraFedFM is collaboratively pre-trained using federated learning across 16 distributed medical institutions in 9 countries, leveraging a dataset of over 1 million ultrasound images covering 19 organs and 10 ultrasound modalities. This extensive and diverse data, combined with a secure training framework, enables UltraFedFM to exhibit strong generalization and diagnostic capabilities. It achieves an average area under the receiver operating characteristic curve of 0.927 for disease diagnosis and a dice similarity coefficient of 0.878 for lesion segmentation. Notably, UltraFedFM surpasses the diagnostic accuracy of mid-level ultrasonographers and matches the performance of expert-level sonographers in the joint diagnosis of 8 common systemic diseases. These findings indicate that UltraFedFM can significantly enhance clinical diagnostics while safeguarding patient privacy, marking an advancement in AI-driven ultrasound imaging for future clinical applications.

Unveiling the Superior Paradigm: A Comparative Study of Source-Free Domain Adaptation and Unsupervised Domain Adaptation

In domain adaptation, there are two popular paradigms: Unsupervised Domain Adaptation (UDA), which aligns distributions using source data, and Source-Free Domain Adaptation (SFDA), which leverages pre-trained source models without accessing source data. Evaluating the superiority of UDA versus SFDA is an open and timely question with significant implications for deploying adaptive algorithms in practical applications. In this study, we demonstrate through predictive coding theory and extensive experiments on multiple benchmark datasets that SFDA generally outperforms UDA in real-world scenarios. Specifically, SFDA offers advantages in time efficiency, storage requirements, targeted learning objectives, reduced risk of negative transfer, and increased robustness against overfitting. Notably, SFDA is particularly effective in mitigating negative transfer when there are substantial distribution discrepancies between source and target domains. Additionally, we introduce a novel data-model fusion scenario, where data sharing among stakeholders varies (e.g., some provide raw data while others provide only models), and reveal that traditional UDA and SFDA methods do not fully exploit their potential in this context. To address this limitation and capitalize on the strengths of SFDA, we propose a novel weight estimation method that effectively integrates available source data into multi-SFDA (MSFDA) approaches, thereby enhancing model performance within this scenario. This work provides a thorough analysis of UDA versus SFDA and advances a practical approach to model adaptation across diverse real-world environments.

CausalStock: Deep End-to-end Causal Discovery for News-driven Stock Movement Prediction

There are two issues in news-driven multi-stock movement prediction tasks that are not well solved in the existing works. On the one hand, "relation discovery" is a pivotal part when leveraging the price information of other stocks to achieve accurate stock movement prediction. Given that stock relations are often unidirectional, such as the "supplier-consumer" relationship, causal relations are more appropriate to capture the impact between stocks. On the other hand, there is substantial noise existing in the news data leading to extracting effective information with difficulty. With these two issues in mind, we propose a novel framework called CausalStock for news-driven multi-stock movement prediction, which discovers the temporal causal relations between stocks. We design a lag-dependent temporal causal discovery mechanism to model the temporal causal graph distribution. Then a Functional Causal Model is employed to encapsulate the discovered causal relations and predict the stock movements. Additionally, we propose a Denoised News Encoder by taking advantage of the excellent text evaluation ability of large language models (LLMs) to extract useful information from massive news data. The experiment results show that CausalStock outperforms the strong baselines for both news-driven multi-stock movement prediction and multi-stock movement prediction tasks on six real-world datasets collected from the US, China, Japan, and UK markets. Moreover, getting benefit from the causal relations, CausalStock could offer a clear prediction mechanism with good explainability.

Improving Molecular Graph Generation with Flow Matching and Optimal Transport

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design, they often suffer from unstable training and inefficient sampling. To enhance generation performance and training stability, we propose GGFlow, a discrete flow matching generative model incorporating optimal transport for molecular graphs and it incorporates an edge-augmented graph transformer to enable the direct communications among chemical bounds. Additionally, GGFlow introduces a novel goal-guided generation framework to control the generative trajectory of our model, aiming to design novel molecular structures with the desired properties. GGFlow demonstrates superior performance on both unconditional and conditional molecule generation tasks, outperforming existing baselines and underscoring its effectiveness and potential for wider application.

A Nested Graph Reinforcement Learning-based Decision-making Strategy for Eco-platooning

Platooning technology is renowned for its precise vehicle control, traffic flow optimization, and energy efficiency enhancement. However, in large-scale mixed platoons, vehicle heterogeneity and unpredictable traffic conditions lead to virtual bottlenecks. These bottlenecks result in reduced traffic throughput and increased energy consumption within the platoon. To address these challenges, we introduce a decision-making strategy based on nested graph reinforcement learning. This strategy improves collaborative decision-making, ensuring energy efficiency and alleviating congestion. We propose a theory of nested traffic graph representation that maps dynamic interactions between vehicles and platoons in non-Euclidean spaces. By incorporating spatio-temporal weighted graph into a multi-head attention mechanism, we further enhance the model's capacity to process both local and global data. Additionally, we have developed a nested graph reinforcement learning framework to enhance the self-iterative learning capabilities of platooning. Using the I-24 dataset, we designed and conducted comparative algorithm experiments, generalizability testing, and permeability ablation experiments, thereby validating the proposed strategy's effectiveness. Compared to the baseline, our strategy increases throughput by 10% and decreases energy use by 9%. Specifically, increasing the penetration rate of CAVs significantly enhances traffic throughput, though it also increases energy consumption.

Improving Representation of High-frequency Components for Medical Foundation Models

Foundation models have recently attracted significant attention for their impressive generalizability across diverse downstream tasks. However, these models are demonstrated to exhibit great limitations in representing high-frequency components and fine-grained details. In many medical imaging tasks, the precise representation of such information is crucial due to the inherently intricate anatomical structures, sub-visual features, and complex boundaries involved. Consequently, the limited representation of prevalent foundation models can result in significant performance degradation or even failure in these tasks. To address these challenges, we propose a novel pretraining strategy, named Frequency-advanced Representation Autoencoder (Frepa). Through high-frequency masking and low-frequency perturbation combined with adversarial learning, Frepa encourages the encoder to effectively represent and preserve high-frequency components in the image embeddings. Additionally, we introduce an innovative histogram-equalized image masking strategy, extending the Masked Autoencoder approach beyond ViT to other architectures such as Swin Transformer and convolutional networks. We develop Frepa across nine medical modalities and validate it on 32 downstream tasks for both 2D images and 3D volume data. Without fine-tuning, Frepa can outperform other self-supervised pretraining methods and, in some cases, even surpasses task-specific trained models. This improvement is particularly significant for tasks involving fine-grained details, such as achieving up to a +15% increase in DSC for retina vessel segmentation and a +7% increase in IoU for lung nodule detection. Further experiments quantitatively reveal that Frepa enables superior high-frequency representations and preservation in the embeddings, underscoring its potential for developing more generalized and universal medical image foundation models.

ScholarChemQA: Unveiling the Power of Language Models in Chemical Research Question Answering

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic chemistry is less explored. Chemical QA plays a crucial role in both education and research by effectively translating complex chemical information into readily understandable format. Addressing this gap, we introduce ScholarChemQA, a large-scale QA dataset constructed from chemical papers. This dataset reflects typical real-world challenges, including an imbalanced data distribution and a substantial amount of unlabeled data that can be potentially useful. Correspondingly, we introduce a QAMatch model, specifically designed to effectively answer chemical questions by fully leveraging our collected data. We first address the issue of imbalanced label distribution by re-weighting the instance-wise loss based on the inverse frequency of each class, ensuring minority classes are not dominated by majority ones during optimization. Next, we utilize the unlabeled data to enrich the learning process, generating a variety of augmentations based on a SoftMix operation and ensuring their predictions align with the same target, i.e., pseudo-labels. To ensure the quality of the pseudo-labels, we propose a calibration procedure aimed at closely aligning the pseudo-label estimates of individual samples with a desired ground truth distribution. Experiments show that our QAMatch significantly outperforms the recent similar-scale baselines and Large Language Models (LLMs) not only on our ScholarChemQA dataset but also on four benchmark datasets. We hope our benchmark and model can facilitate and promote more research on chemical QA.

Trustworthy Contrast-enhanced Brain MRI Synthesis

Contrast-enhanced brain MRI (CE-MRI) is a valuable diagnostic technique but may pose health risks and incur high costs. To create safer alternatives, multi-modality medical image translation aims to synthesize CE-MRI images from other available modalities. Although existing methods can generate promising predictions, they still face two challenges, i.e., exhibiting over-confidence and lacking interpretability on predictions. To address the above challenges, this paper introduces TrustI2I, a novel trustworthy method that reformulates multi-to-one medical image translation problem as a multimodal regression problem, aiming to build an uncertainty-aware and reliable system. Specifically, our method leverages deep evidential regression to estimate prediction uncertainties and employs an explicit intermediate and late fusion strategy based on the Mixture of Normal Inverse Gamma (MoNIG) distribution, enhancing both synthesis quality and interpretability. Additionally, we incorporate uncertainty calibration to improve the reliability of uncertainty. Validation on the BraTS2018 dataset demonstrates that our approach surpasses current methods, producing higher-quality images with rational uncertainty estimation.