arXiv subjects

Yu Song

Publications and source records attributed to Yu Song.

At least 73 records · Page 4Linked to original sources

arXiv2024

HoneyComb: A Flexible LLM-Based Agent System for Materials Science

The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks for materials science. Many LLMs, however, often struggle with distinct complexities of material science tasks, such as materials science computational tasks, and often rely heavily on outdated implicit knowledge, leading to inaccuracies and hallucinations. To address these challenges, we introduce HoneyComb, the first LLM-based agent system specifically designed for materials science. HoneyComb leverages a novel, high-quality materials science knowledge base (MatSciKB) and a sophisticated tool hub (ToolHub) to enhance its reasoning and computational capabilities tailored to materials science. MatSciKB is a curated, structured knowledge collection based on reliable literature, while ToolHub employs an Inductive Tool Construction method to generate, decompose, and refine API tools for materials science. Additionally, HoneyComb leverages a retriever module that adaptively selects the appropriate knowledge source or tools for specific tasks, thereby ensuring accuracy and relevance. Our results demonstrate that HoneyComb significantly outperforms baseline models across various tasks in materials science, effectively bridging the gap between current LLM capabilities and the specialized needs of this domain. Furthermore, our adaptable framework can be easily extended to other scientific domains, highlighting its potential for broad applicability in advancing scientific research and applications.

cs.CL↗

arXiv2024

Do Neural Scaling Laws Exist on Graph Self-Supervised Learning?

Self-supervised learning~(SSL) is essential to obtain foundation models in NLP and CV domains via effectively leveraging knowledge in large-scale unlabeled data. The reason for its success is that a suitable SSL design can help the model to follow the neural scaling law, i.e., the performance consistently improves with increasing model and dataset sizes. However, it remains a mystery whether existing SSL in the graph domain can follow the scaling behavior toward building Graph Foundation Models~(GFMs) with large-scale pre-training. In this study, we examine whether existing graph SSL techniques can follow the neural scaling behavior with the potential to serve as the essential component for GFMs. Our benchmark includes comprehensive SSL technique implementations with analysis conducted on both the conventional SSL setting and many new settings adopted in other domains. Surprisingly, despite the SSL loss continuously decreasing, no existing graph SSL techniques follow the neural scaling behavior on the downstream performance. The model performance only merely fluctuates on different data scales and model scales. Instead of the scales, the key factors influencing the performance are the choices of model architecture and pretext task design. This paper examines existing SSL techniques for the feasibility of Graph SSL techniques in developing GFMs and opens a new direction for graph SSL design with the new evaluation prototype. Our code implementation is available online to ease reproducibility on https://github.com/GraphSSLScaling/GraphSSLScaling.

cs.LG↗

arXiv2024

Kagome materials $A$V$_3$Sb$_5$ ($A$=K,Rb,Cs): pairing symmetry and pressure-tuning studies

The vanadium-based kagome metals $A$V$_3$Sb$_5$ ($A$ = K, Rb, and Cs) host a superconducting ground state that coexists with an unconventional charge density wave (CDW). The CDW state exhibits experimental signatures of chirality, electronic nematicity, and time-reversal-symmetry-breaking, raising the questions whether the superconductivity (SC) in $A$V$_3$Sb$_5$ may also be unconventional, how SC interplays with CDW, and how the two orders evolve upon tuning. This article reviews studies of the superconducting pairing symmetry, and the tuning of SC and CDW in the $A$V$_3$Sb$_5$ compounds. Various experimental techniques consistently find that CsV$_3$Sb$_5$ exhibits nodeless SC, which remains robust regardless whether the CDW is present. Under hydrostatic pressure, SC in $A$V$_3$Sb$_5$ becomes enhanced as the CDW is gradually suppressed, revealing a competition between the two orders. In CsV$_3$Sb$_5$, a new CDW state emerges under pressure that competes more strongly with SC relative to the CDW at ambient pressure, and results in two superconducting domes that coexist with CDW. After the CDW in $A$V$_3$Sb$_5$ is fully suppressed with hydrostatic pressure, a further increase in pressure leads to a nonmonotonic evolution of the superconducting transition temperature driven by lattice modulations. Thickness is shown to be a powerful tuning parameter in $A$V$_3$Sb$_5$ thin flakes, revealing the evolution of CDW and SC upon dimensional reduction, and can be combined with hydrostatic pressure to shed light on the interplay between SC and CDW. Based on results reviewed in this article, we discuss outstanding issues to be addressed in the $A$V$_3$Sb$_5$ systems.

cond-mat.supr-con↗

arXiv2024

Multimodal Infusion Tuning for Large Models

Recent advancements in large-scale models have showcased remarkable generalization capabilities in various tasks. However, integrating multimodal processing into these models presents a significant challenge, as it often comes with a high computational burden. To address this challenge, we introduce a new parameter-efficient multimodal tuning strategy for large models in this paper, referred to as Multimodal Infusion Tuning (MiT). MiT leverages decoupled self-attention mechanisms within large language models to effectively integrate information from diverse modalities such as images and acoustics. In MiT, we also design a novel adaptive rescaling strategy at the attention head level, which optimizes the representation of infused multimodal features. Notably, all foundation models are kept frozen during the tuning process to reduce the computational burden and only 2.5\% parameters are tunable. We conduct experiments across a range of multimodal tasks, including image-related tasks like referring segmentation and non-image tasks such as sentiment analysis. Our results showcase that MiT achieves state-of-the-art performance in multimodal understanding while significantly reducing computational overhead(10\% of previous methods). Moreover, our tuned model exhibits robust reasoning abilities even in complex scenarios.

cs.MM↗

arXiv2024

A Pure Transformer Pretraining Framework on Text-attributed Graphs

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental challenges such as feature heterogeneity and structural heterogeneity. Recently, increasing efforts have been made to enhance node feature quality with Large Language Models (LLMs) on text-attributed graphs (TAGs), demonstrating superiority to traditional bag-of-words or word2vec techniques. These high-quality node features reduce the previously critical role of graph structure, resulting in a modest performance gap between Graph Neural Networks (GNNs) and structure-agnostic Multi-Layer Perceptrons (MLPs). Motivated by this, we introduce a feature-centric pretraining perspective by treating graph structure as a prior and leveraging the rich, unified feature space to learn refined interaction patterns that generalizes across graphs. Our framework, Graph Sequence Pretraining with Transformer (GSPT), samples node contexts through random walks and employs masked feature reconstruction to capture pairwise proximity in the LLM-unified feature space using a standard Transformer. By utilizing unified text representations rather than varying structures, our framework achieves significantly better transferability among graphs within the same domain. GSPT can be easily adapted to both node classification and link prediction, demonstrating promising empirical success on various datasets.

cs.AI↗

arXiv2024

Text-space Graph Foundation Models: Comprehensive Benchmarks and New Insights

Given the ubiquity of graph data and its applications in diverse domains, building a Graph Foundation Model (GFM) that can work well across different graphs and tasks with a unified backbone has recently garnered significant interests. A major obstacle to achieving this goal stems from the fact that graphs from different domains often exhibit diverse node features. Inspired by multi-modal models that align different modalities with natural language, the text has recently been adopted to provide a unified feature space for diverse graphs. Despite the great potential of these text-space GFMs, current research in this field is hampered by two problems. First, the absence of a comprehensive benchmark with unified problem settings hinders a clear understanding of the comparative effectiveness and practical value of different text-space GFMs. Second, there is a lack of sufficient datasets to thoroughly explore the methods' full potential and verify their effectiveness across diverse settings. To address these issues, we conduct a comprehensive benchmark providing novel text-space datasets and comprehensive evaluation under unified problem settings. Empirical results provide new insights and inspire future research directions. Our code and data are publicly available from \url{https://github.com/CurryTang/TSGFM}.

cs.LG↗

arXiv2024

Robust Latent Representation Tuning for Image-text Classification

Large models have demonstrated exceptional generalization capabilities in computer vision and natural language processing. Recent efforts have focused on enhancing these models with multimodal processing abilities. However, addressing the challenges posed by scenarios where one modality is absent remains a significant hurdle. In response to this issue, we propose a robust latent representation tuning method for large models. Specifically, our approach introduces a modality latent translation module to maximize the correlation between modalities, resulting in a robust representation. Following this, a newly designed fusion module is employed to facilitate information interaction between the modalities. Within this framework, common semantics are refined during training, and robust performance is achieved even in the absence of one modality. Importantly, our method maintains the frozen state of the image and text foundation models to preserve their capabilities acquired through large-scale pretraining. We conduct experiments on several public datasets, and the results underscore the effectiveness of our proposed method.

cs.CV↗

arXiv2024

IB-AdCSCNet:Adaptive Convolutional Sparse Coding Network Driven by Information Bottleneck

In the realm of neural network models, the perpetual challenge remains in retaining task-relevant information while effectively discarding redundant data during propagation. In this paper, we introduce IB-AdCSCNet, a deep learning model grounded in information bottleneck theory. IB-AdCSCNet seamlessly integrates the information bottleneck trade-off strategy into deep networks by dynamically adjusting the trade-off hyperparameter $λ$ through gradient descent, updating it within the FISTA(Fast Iterative Shrinkage-Thresholding Algorithm ) framework. By optimizing the compressive excitation loss function induced by the information bottleneck principle, IB-AdCSCNet achieves an optimal balance between compression and fitting at a global level, approximating the globally optimal representation feature. This information bottleneck trade-off strategy driven by downstream tasks not only helps to learn effective features of the data, but also improves the generalization of the model. This study's contribution lies in presenting a model with consistent performance and offering a fresh perspective on merging deep learning with sparse representation theory, grounded in the information bottleneck concept. Experimental results on CIFAR-10 and CIFAR-100 datasets demonstrate that IB-AdCSCNet not only matches the performance of deep residual convolutional networks but also outperforms them when handling corrupted data. Through the inference of the IB trade-off, the model's robustness is notably enhanced.

cs.CV↗

arXiv2024

A Versatile Framework for Analyzing Galaxy Image Data by Implanting Human-in-the-loop on a Large Vision Model

The exponential growth of astronomical datasets provides an unprecedented opportunity for humans to gain insight into the Universe. However, effectively analyzing this vast amount of data poses a significant challenge. Astronomers are turning to deep learning techniques to address this, but the methods are limited by their specific training sets, leading to considerable duplicate workloads too. Hence, as an example to present how to overcome the issue, we built a framework for general analysis of galaxy images, based on a large vision model (LVM) plus downstream tasks (DST), including galaxy morphological classification, image restoration, object detection, parameter extraction, and more. Considering the low signal-to-noise ratio of galaxy images and the imbalanced distribution of galaxy categories, we have incorporated a Human-in-the-loop (HITL) module into our large vision model, which leverages human knowledge to enhance the reliability and interpretability of processing galaxy images interactively. The proposed framework exhibits notable few-shot learning capabilities and versatile adaptability to all the abovementioned tasks on galaxy images in the DESI legacy imaging surveys. Expressly, for object detection, trained by 1000 data points, our DST upon the LVM achieves an accuracy of 96.7%, while ResNet50 plus Mask R-CNN gives an accuracy of 93.1%; for morphology classification, to obtain AUC ~0.9, LVM plus DST and HITL only requests 1/50 training sets compared to ResNet18. Expectedly, multimodal data can be integrated similarly, which opens up possibilities for conducting joint analyses with datasets spanning diverse domains in the era of multi-message astronomy.

astro-ph.IM↗

arXiv2024

Densely Distilling Cumulative Knowledge for Continual Learning

Continual learning, involving sequential training on diverse tasks, often faces catastrophic forgetting. While knowledge distillation-based approaches exhibit notable success in preventing forgetting, we pinpoint a limitation in their ability to distill the cumulative knowledge of all the previous tasks. To remedy this, we propose Dense Knowledge Distillation (DKD). DKD uses a task pool to track the model's capabilities. It partitions the output logits of the model into dense groups, each corresponding to a task in the task pool. It then distills all tasks' knowledge using all groups. However, using all the groups can be computationally expensive, we also suggest random group selection in each optimization step. Moreover, we propose an adaptive weighting scheme, which balances the learning of new classes and the retention of old classes, based on the count and similarity of the classes. Our DKD outperforms recent state-of-the-art baselines across diverse benchmarks and scenarios. Empirical analysis underscores DKD's ability to enhance model stability, promote flatter minima for improved generalization, and remains robust across various memory budgets and task orders. Moreover, it seamlessly integrates with other CL methods to boost performance and proves versatile in offline scenarios like model compression.

cs.LG↗

arXiv2024

An Image Quality Evaluation and Masking Algorithm Based On Pre-trained Deep Neural Networks

With the growing amount of astronomical data, there is an increasing need for automated data processing pipelines, which can extract scientific information from observation data without human interventions. A critical aspect of these pipelines is the image quality evaluation and masking algorithm, which evaluates image qualities based on various factors such as cloud coverage, sky brightness, scattering light from the optical system, point spread function size and shape, and read-out noise. Occasionally, the algorithm requires masking of areas severely affected by noise. However, the algorithm often necessitates significant human interventions, reducing data processing efficiency. In this study, we present a deep learning based image quality evaluation algorithm that uses an autoencoder to learn features of high quality astronomical images. The trained autoencoder enables automatic evaluation of image quality and masking of noise affected areas. We have evaluated the performance of our algorithm using two test cases: images with point spread functions of varying full width half magnitude, and images with complex backgrounds. In the first scenario, our algorithm could effectively identify variations of the point spread functions, which can provide valuable reference information for photometry. In the second scenario, our method could successfully mask regions affected by complex regions, which could significantly increase the photometry accuracy. Our algorithm can be employed to automatically evaluate image quality obtained by different sky surveying projects, further increasing the speed and robustness of data processing pipelines.

astro-ph.IM↗

arXiv2024

MEDPNet: Achieving High-Precision Adaptive Registration for Complex Die Castings

Due to their complex spatial structure and diverse geometric features, achieving high-precision and robust point cloud registration for complex Die Castings has been a significant challenge in the die-casting industry. Existing point cloud registration methods primarily optimize network models using well-established high-quality datasets, often neglecting practical application in real scenarios. To address this gap, this paper proposes a high-precision adaptive registration method called Multiscale Efficient Deep Closest Point (MEDPNet) and introduces a die-casting point cloud dataset, DieCastCloud, specifically designed to tackle the challenges of point cloud registration in the die-casting industry. The MEDPNet method performs coarse die-casting point cloud data registration using the Efficient-DCP method, followed by precision registration using the Multiscale feature fusion dual-channel registration (MDR) method. We enhance the modeling capability and computational efficiency of the model by replacing the attention mechanism of the Transformer in DCP with Efficient Attention and implementing a collaborative scale mechanism through the combination of serial and parallel blocks. Additionally, we propose the MDR method, which utilizes multilayer perceptrons (MLP), Normal Distributions Transform (NDT), and Iterative Closest Point (ICP) to achieve learnable adaptive fusion, enabling high-precision, scalable, and noise-resistant global point cloud registration. Our proposed method demonstrates excellent performance compared to state-of-the-art geometric and learning-based registration methods when applied to complex die-casting point cloud data.

cs.CV↗

arXiv2023

Exploring Adapter-based Transfer Learning for Recommender Systems: Empirical Studies and Practical Insights

Adapters, a plug-in neural network module with some tunable parameters, have emerged as a parameter-efficient transfer learning technique for adapting pre-trained models to downstream tasks, especially for natural language processing (NLP) and computer vision (CV) fields. Meanwhile, learning recommendation models directly from raw item modality features -- e.g., texts of NLP and images of CV -- can enable effective and transferable recommender systems (called TransRec). In view of this, a natural question arises: can adapter-based learning techniques achieve parameter-efficient TransRec with good performance? To this end, we perform empirical studies to address several key sub-questions. First, we ask whether the adapter-based TransRec performs comparably to TransRec based on standard full-parameter fine-tuning? does it hold for recommendation with different item modalities, e.g., textual RS and visual RS. If yes, we benchmark these existing adapters, which have been shown to be effective in NLP and CV tasks, in item recommendation tasks. Third, we carefully study several key factors for the adapter-based TransRec in terms of where and how to insert these adapters? Finally, we look at the effects of adapter-based TransRec by either scaling up its source training data or scaling down its target training data. Our paper provides key insights and practical guidance on unified & transferable recommendation -- a less studied recommendation scenario. We release our codes and other materials at: https://github.com/westlake-repl/Adapter4Rec/.

cs.IR↗

arXiv2023

Image Restoration with Point Spread Function Regularization and Active Learning

Large-scale astronomical surveys can capture numerous images of celestial objects, including galaxies and nebulae. Analysing and processing these images can reveal intricate internal structures of these objects, allowing researchers to conduct comprehensive studies on their morphology, evolution, and physical properties. However, varying noise levels and point spread functions can hamper the accuracy and efficiency of information extraction from these images. To mitigate these effects, we propose a novel image restoration algorithm that connects a deep learning-based restoration algorithm with a high-fidelity telescope simulator. During the training stage, the simulator generates images with different levels of blur and noise to train the neural network based on the quality of restored images. After training, the neural network can directly restore images obtained by the telescope, as represented by the simulator. We have tested the algorithm using real and simulated observation data and have found that it effectively enhances fine structures in blurry images and increases the quality of observation images. This algorithm can be applied to large-scale sky survey data, such as data obtained by LSST, Euclid, and CSST, to further improve the accuracy and efficiency of information extraction, promoting advances in the field of astronomical research.

astro-ph.IM↗

arXiv2023

HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science

We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at \url{https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee}.

cs.CL↗

arXiv2023

Electronic band reconstruction across the insulator-metal transition in colossal magnetoresistive EuCd2P2

While colossal magnetoresistance (CMR) in Eu-based compounds is often associated with strong spin-carrier interactions, the underlying reconstruction of the electronic bands is much less understood from spectroscopic experiments. Here using angle-resolved photoemission, we directly observe an electronic band reconstruction across the insulator-metal (and magnetic) transition in the recently discovered CMR compound EuCd2P2. This transition is manifested by a large magnetic band splitting associated with the magnetic order, as well as unusual energy shifts of the valence bands: both the large ordered moment of Eu and carrier localization in the paramagnetic phase are crucial. Our results provide spectroscopic evidence for an electronic structure reconstruction underlying the enormous CMR observed in EuCd2P2, which could be important for understanding Eu-based CMR materials, as well as designing CMR materials based on large-moment rare-earth magnets.

cond-mat.mtrl-sci↗

arXiv2023

Learning on Graphs with Out-of-Distribution Nodes

Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where out-of-distribution (OOD) nodes exist in the graph during training and inference. Borrowing the concept from CV and NLP, we define OOD nodes as nodes with labels unseen from the training set. Since a lot of networks are automatically constructed by programs, real-world graphs are often noisy and may contain nodes from unknown distributions. In this work, we define the problem of graph learning with out-of-distribution nodes. Specifically, we aim to accomplish two tasks: 1) detect nodes which do not belong to the known distribution and 2) classify the remaining nodes to be one of the known classes. We demonstrate that the connection patterns in graphs are informative for outlier detection, and propose Out-of-Distribution Graph Attention Network (OODGAT), a novel GNN model which explicitly models the interaction between different kinds of nodes and separate inliers from outliers during feature propagation. Extensive experiments show that OODGAT outperforms existing outlier detection methods by a large margin, while being better or comparable in terms of in-distribution classification.

cs.LG↗

arXiv2023

4D Feet: Registering Walking Foot Shapes Using Attention Enhanced Dynamic-Synchronized Graph Convolutional LSTM Network

4D scans of dynamic deformable human body parts help researchers have a better understanding of spatiotemporal features. However, reconstructing 4D scans based on multiple asynchronous cameras encounters two main challenges: 1) finding the dynamic correspondences among different frames captured by each camera at the timestamps of the camera in terms of dynamic feature recognition, and 2) reconstructing 3D shapes from the combined point clouds captured by different cameras at asynchronous timestamps in terms of multi-view fusion. In this paper, we introduce a generic framework that is able to 1) find and align dynamic features in the 3D scans captured by each camera using the nonrigid iterative closest-farthest points algorithm; 2) synchronize scans captured by asynchronous cameras through a novel ADGC-LSTM-based network, which is capable of aligning 3D scans captured by different cameras to the timeline of a specific camera; and 3) register a high-quality template to synchronized scans at each timestamp to form a high-quality 3D mesh model using a non-rigid registration method. With a newly developed 4D foot scanner, we validate the framework and create the first open-access data-set, namely the 4D feet. It includes 4D shapes (15 fps) of the right and left feet of 58 participants (116 feet in total, including 5147 3D frames), covering significant phases of the gait cycle. The results demonstrate the effectiveness of the proposed framework, especially in synchronizing asynchronous 4D scans using the proposed ADGC-LSTM network.

eess.IV↗