RingFormer: A Ring-Enhanced Graph Transformer for Organic Solar Cell Property Prediction

Organic Solar Cells (OSCs) are a promising technology for sustainable energy production. However, the identification of molecules with desired OSC properties typically involves laborious experimental research. To accelerate progress in the field, it is crucial to develop machine learning models capable of accurately predicting the properties of OSC molecules. While graph representation learning has demonstrated success in molecular property prediction, it remains underexplored for OSC-specific tasks. Existing methods fail to capture the unique structural features of OSC molecules, particularly the intricate ring systems that critically influence OSC properties, leading to suboptimal performance. To fill the gap, we present RingFormer, a novel graph transformer framework specially designed to capture both atom and ring level structural patterns in OSC molecules. RingFormer constructs a hierarchical graph that integrates atomic and ring structures and employs a combination of local message passing and global attention mechanisms to generate expressive graph representations for accurate OSC property prediction. We evaluate RingFormer's effectiveness on five curated OSC molecule datasets through extensive experiments. The results demonstrate that RingFormer consistently outperforms existing methods, achieving a 22.77% relative improvement over the nearest competitor on the CEPDB dataset.

A Theoretical Review on Solving Algebra Problems

Solving algebra problems (APs) continues to attract significant research interest as evidenced by the large number of algorithms and theories proposed over the past decade. Despite these important research contributions, however, the body of work remains incomplete in terms of theoretical justification and scope. The current contribution intends to fill the gap by developing a review framework that aims to lay a theoretical base, create an evaluation scheme, and extend the scope of the investigation. This paper first develops the State Transform Theory (STT), which emphasizes that the problem-solving algorithms are structured according to states and transforms unlike the understanding that underlies traditional surveys which merely emphasize the progress of transforms. The STT, thus, lays the theoretical basis for a new framework for reviewing algorithms. This new construct accommodates the relation-centric algorithms for solving both word and diagrammatic algebra problems. The latter not only highlights the necessity of introducing new states but also allows revelation of contributions of individual algorithms obscured in prior reviews without this approach.

DeTeCtive: Detecting AI-generated Text via Multi-Level Contrastive Learning

Current techniques for detecting AI-generated text are largely confined to manual feature crafting and supervised binary classification paradigms. These methodologies typically lead to performance bottlenecks and unsatisfactory generalizability. Consequently, these methods are often inapplicable for out-of-distribution (OOD) data and newly emerged large language models (LLMs). In this paper, we revisit the task of AI-generated text detection. We argue that the key to accomplishing this task lies in distinguishing writing styles of different authors, rather than simply classifying the text into human-written or AI-generated text. To this end, we propose DeTeCtive, a multi-task auxiliary, multi-level contrastive learning framework. DeTeCtive is designed to facilitate the learning of distinct writing styles, combined with a dense information retrieval pipeline for AI-generated text detection. Our method is compatible with a range of text encoders. Extensive experiments demonstrate that our method enhances the ability of various text encoders in detecting AI-generated text across multiple benchmarks and achieves state-of-the-art results. Notably, in OOD zero-shot evaluation, our method outperforms existing approaches by a large margin. Moreover, we find our method boasts a Training-Free Incremental Adaptation (TFIA) capability towards OOD data, further enhancing its efficacy in OOD detection scenarios. We will open-source our code and models in hopes that our work will spark new thoughts in the field of AI-generated text detection, ensuring safe application of LLMs and enhancing compliance. Our code is available at https://github.com/heyongxin233/DeTeCtive.

Machine Learning-Based Prediction of Key Genes Correlated to the Subretinal Lesion Severity in a Mouse Model of Age-Related Macular Degeneration

Age-related macular degeneration (AMD) is a major cause of blindness in older adults, severely affecting vision and quality of life. Despite advances in understanding AMD, the molecular factors driving the severity of subretinal scarring (fibrosis) remain elusive, hampering the development of effective therapies. This study introduces a machine learning-based framework to predict key genes that are strongly correlated with lesion severity and to identify potential therapeutic targets to prevent subretinal fibrosis in AMD. Using an original RNA sequencing (RNA-seq) dataset from the diseased retinas of JR5558 mice, we developed a novel and specific feature engineering technique, including pathway-based dimensionality reduction and gene-based feature expansion, to enhance prediction accuracy. Two iterative experiments were conducted by leveraging Ridge and ElasticNet regression models to assess biological relevance and gene impact. The results highlight the biological significance of several key genes and demonstrate the framework's effectiveness in identifying novel therapeutic targets. The key findings provide valuable insights for advancing drug discovery efforts and improving treatment strategies for AMD, with the potential to enhance patient outcomes by targeting the underlying genetic mechanisms of subretinal lesion development.

Comparison of Static Application Security Testing Tools and Large Language Models for Repo-level Vulnerability Detection

Software vulnerabilities pose significant security challenges and potential risks to society, necessitating extensive efforts in automated vulnerability detection. There are two popular lines of work to address automated vulnerability detection. On one hand, Static Application Security Testing (SAST) is usually utilized to scan source code for security vulnerabilities, especially in industries. On the other hand, deep learning (DL)-based methods, especially since the introduction of large language models (LLMs), have demonstrated their potential in software vulnerability detection. However, there is no comparative study between SAST tools and LLMs, aiming to determine their effectiveness in vulnerability detection, understand the pros and cons of both SAST and LLMs, and explore the potential combination of these two families of approaches. In this paper, we compared 15 diverse SAST tools with 12 popular or state-of-the-art open-source LLMs in detecting software vulnerabilities from repositories of three popular programming languages: Java, C, and Python. The experimental results showed that SAST tools obtain low vulnerability detection rates with relatively low false positives, while LLMs can detect up 90\% to 100\% of vulnerabilities but suffer from high false positives. By further ensembling the SAST tools and LLMs, the drawbacks of both SAST tools and LLMs can be mitigated to some extent. Our analysis sheds light on both the current progress and future directions for software vulnerability detection.

RodinHD: High-Fidelity 3D Avatar Generation with Diffusion Models

We present RodinHD, which can generate high-fidelity 3D avatars from a portrait image. Existing methods fail to capture intricate details such as hairstyles which we tackle in this paper. We first identify an overlooked problem of catastrophic forgetting that arises when fitting triplanes sequentially on many avatars, caused by the MLP decoder sharing scheme. To overcome this issue, we raise a novel data scheduling strategy and a weight consolidation regularization term, which improves the decoder's capability of rendering sharper details. Additionally, we optimize the guiding effect of the portrait image by computing a finer-grained hierarchical representation that captures rich 2D texture cues, and injecting them to the 3D diffusion model at multiple layers via cross-attention. When trained on 46K avatars with a noise schedule optimized for triplanes, the resulting model can generate 3D avatars with notably better details than previous methods and can generalize to in-the-wild portrait input.

VolumeDiffusion: Flexible Text-to-3D Generation with Efficient Volumetric Encoder

This paper introduces a pioneering 3D volumetric encoder designed for text-to-3D generation. To scale up the training data for the diffusion model, a lightweight network is developed to efficiently acquire feature volumes from multi-view images. The 3D volumes are then trained on a diffusion model for text-to-3D generation using a 3D U-Net. This research further addresses the challenges of inaccurate object captions and high-dimensional feature volumes. The proposed model, trained on the public Objaverse dataset, demonstrates promising outcomes in producing diverse and recognizable samples from text prompts. Notably, it empowers finer control over object part characteristics through textual cues, fostering model creativity by seamlessly combining multiple concepts within a single object. This research significantly contributes to the progress of 3D generation by introducing an efficient, flexible, and scalable representation methodology. Code is available at https://github.com/tzco/VolumeDiffusion.

Customize-It-3D: High-Quality 3D Creation from A Single Image Using Subject-Specific Knowledge Prior

In this paper, we present a novel two-stage approach that fully utilizes the information provided by the reference image to establish a customized knowledge prior for image-to-3D generation. While previous approaches primarily rely on a general diffusion prior, which struggles to yield consistent results with the reference image, we propose a subject-specific and multi-modal diffusion model. This model not only aids NeRF optimization by considering the shading mode for improved geometry but also enhances texture from the coarse results to achieve superior refinement. Both aspects contribute to faithfully aligning the 3D content with the subject. Extensive experiments showcase the superiority of our method, Customize-It-3D, outperforming previous works by a substantial margin. It produces faithful 360-degree reconstructions with impressive visual quality, making it well-suited for various applications, including text-to-3D creation.

Model-enhanced Vector Index

Embedding-based retrieval methods construct vector indices to search for document representations that are most similar to the query representations. They are widely used in document retrieval due to low latency and decent recall performance. Recent research indicates that deep retrieval solutions offer better model quality, but are hindered by unacceptable serving latency and the inability to support document updates. In this paper, we aim to enhance the vector index with end-to-end deep generative models, leveraging the differentiable advantages of deep retrieval models while maintaining desirable serving efficiency. We propose Model-enhanced Vector Index (MEVI), a differentiable model-enhanced index empowered by a twin-tower representation model. MEVI leverages a Residual Quantization (RQ) codebook to bridge the sequence-to-sequence deep retrieval and embedding-based models. To substantially reduce the inference time, instead of decoding the unique document ids in long sequential steps, we first generate some semantic virtual cluster ids of candidate documents in a small number of steps, and then leverage the well-adapted embedding vectors to further perform a fine-grained search for the relevant documents in the candidate virtual clusters. We empirically show that our model achieves better performance on the commonly used academic benchmarks MSMARCO Passage and Natural Questions, with comparable serving latency to dense retrieval solutions.

RingMo-lite: A Remote Sensing Multi-task Lightweight Network with CNN-Transformer Hybrid Framework

In recent years, remote sensing (RS) vision foundation models such as RingMo have emerged and achieved excellent performance in various downstream tasks. However, the high demand for computing resources limits the application of these models on edge devices. It is necessary to design a more lightweight foundation model to support on-orbit RS image interpretation. Existing methods face challenges in achieving lightweight solutions while retaining generalization in RS image interpretation. This is due to the complex high and low-frequency spectral components in RS images, which make traditional single CNN or Vision Transformer methods unsuitable for the task. Therefore, this paper proposes RingMo-lite, an RS multi-task lightweight network with a CNN-Transformer hybrid framework, which effectively exploits the frequency-domain properties of RS to optimize the interpretation process. It is combined by the Transformer module as a low-pass filter to extract global features of RS images through a dual-branch structure, and the CNN module as a stacked high-pass filter to extract fine-grained details effectively. Furthermore, in the pretraining stage, the designed frequency-domain masked image modeling (FD-MIM) combines each image patch's high-frequency and low-frequency characteristics, effectively capturing the latent feature representation in RS data. As shown in Fig. 1, compared with RingMo, the proposed RingMo-lite reduces the parameters over 60% in various RS image interpretation tasks, the average accuracy drops by less than 2% in most of the scenes and achieves SOTA performance compared to models of the similar size. In addition, our work will be integrated into the MindSpore computing platform in the near future.