arXiv subjects

Junjie Wang

Publications and source records attributed to Junjie Wang.

At least 199 records · Page 11Linked to original sources

arXiv2024

Systematic assessment of various universal machine-learning interatomic potentials

Machine-learning interatomic potentials have revolutionized materials modeling at the atomic scale. Thanks to these, it is now indeed possible to perform simulations of \abinitio quality over very large time and length scales. More recently, various universal machine-learning models have been proposed as an out-of-box approach avoiding the need to train and validate specific potentials for each particular material of interest. In this paper, we review and evaluate five different universal machine-learning interatomic potentials (uMLIPs), all based on graph neural network architectures which have demonstrated transferability from one chemical system to another. The evaluation procedure relies on data both from a recent verification study of density-functional-theory implementations and from the Materials Project. Through this comprehensive evaluation, we aim to provide guidance to materials scientists in selecting suitable models for their specific research problems, offer recommendations for model selection and optimization, and stimulate discussion on potential areas for improvement in current machine-learning methodologies in materials science.

cond-mat.mtrl-sci↗

arXiv2024

Superconductivity in pressurized trilayer La$_4$Ni$_3$O$_{10-δ}$ single crystals

The pursuit of discovering new high-temperature superconductors that diverge from the copper-based paradigm1-3 carries profound implications for elucidating mechanisms behind superconductivity and may also enable new applications4-8. Here, our investigation reveals that application of pressure effectively suppresses the spin and charge order in trilayer nickelate La4Ni3O10-δ single crystals, leading to the emergence of superconductivity with a maximum critical temperature (Tc) of around 30 K at 69.0 GPa. The DC susceptibility measurements confirm a substantial diamagnetic response below Tc, indicating the presence of bulk superconductivity with a volume fraction exceeding 80%. In the normal state, we observe a "strange metal" behavior, characterized by a linear temperature-dependent resistance extending up to 300 K. Furthermore, the layer-dependent superconductivity observed hints at a unique interlayer coupling mechanism specific to nickelates, setting them apart from cuprates in this regard. Our findings provide crucial insights into the fundamental mechanisms underpinning superconductivity, while also introducing a new material platform to explore the intricate interplay between the spin/charge order, flat band structures, interlayer coupling, strange metal behavior and high-temperature superconductivity.

cond-mat.supr-con↗

arXiv2024

GaussianDreamerPro: Text to Manipulable 3D Gaussians with Highly Enhanced Quality

Recently, 3D Gaussian splatting (3D-GS) has achieved great success in reconstructing and rendering real-world scenes. To transfer the high rendering quality to generation tasks, a series of research works attempt to generate 3D-Gaussian assets from text. However, the generated assets have not achieved the same quality as those in reconstruction tasks. We observe that Gaussians tend to grow without control as the generation process may cause indeterminacy. Aiming at highly enhancing the generation quality, we propose a novel framework named GaussianDreamerPro. The main idea is to bind Gaussians to reasonable geometry, which evolves over the whole generation process. Along different stages of our framework, both the geometry and appearance can be enriched progressively. The final output asset is constructed with 3D Gaussians bound to mesh, which shows significantly enhanced details and quality compared with previous methods. Notably, the generated asset can also be seamlessly integrated into downstream manipulation pipelines, e.g. animation, composition, and simulation etc., greatly promoting its potential in wide applications. Demos are available at https://taoranyi.com/gaussiandreamerpro/.

cs.CV↗

arXiv2024

HoLLMwood: Unleashing the Creativity of Large Language Models in Screenwriting via Role Playing

Generative AI has demonstrated unprecedented creativity in the field of computer vision, yet such phenomena have not been observed in natural language processing. In particular, large language models (LLMs) can hardly produce written works at the level of human experts due to the extremely high complexity of literature writing. In this paper, we present HoLLMwood, an automated framework for unleashing the creativity of LLMs and exploring their potential in screenwriting, which is a highly demanding task. Mimicking the human creative process, we assign LLMs to different roles involved in the real-world scenario. In addition to the common practice of treating LLMs as ${Writer}$, we also apply LLMs as ${Editor}$, who is responsible for providing feedback and revision advice to ${Writer}$. Besides, to enrich the characters and deepen the plots, we introduce a role-playing mechanism and adopt LLMs as ${Actors}$ that can communicate and interact with each other. Evaluations on automatically generated screenplays show that HoLLMwood substantially outperforms strong baselines in terms of coherence, relevance, interestingness and overall quality.

cs.CL↗

arXiv2024

Know Your Needs Better: Towards Structured Understanding of Marketer Demands with Analogical Reasoning Augmented LLMs

In this paper, we explore a new way for user targeting, where non-expert marketers could select their target users solely given demands in natural language form. The key to this issue is how to transform natural languages into practical structured logical languages, i.e., the structured understanding of marketer demands. In practical scenarios, the demands of non-expert marketers are often abstract and diverse. Considering the impressive natural language processing ability of large language models (LLMs), we try to leverage LLMs to solve this issue. To stimulate the LLMs' reasoning ability, the chain-of-thought (CoT) prompting method is widely used, but existing methods still have some limitations in our scenario: (1) Previous methods either use simple "Let's think step by step" spells or provide fixed examples in demonstrations without considering compatibility between prompts and concrete questions, making LLMs ineffective when the marketers' demands are abstract and diverse. (2) Previous methods are often implemented in closed-source models or excessively large models, which is not suitable in industrial practical scenarios. Based on these, we propose ARALLM (i.e., Analogical Reasoning Augmented Large Language Models) consisting of two modules: Analogical Reasoning based Prompting and Reasoning-Augmented Multi-Task Model Distillation. Part of our data and code can be found at https://github.com/alipay/Analogic-Reasoning-Augmented-Large-Language-Model.

cs.CL↗

arXiv2024

General-purpose machine-learned potential for 16 elemental metals and their alloys

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science.

cond-mat.mtrl-sci↗

arXiv2024

GaussianDreamer: Fast Generation from Text to 3D Gaussians by Bridging 2D and 3D Diffusion Models

In recent times, the generation of 3D assets from text prompts has shown impressive results. Both 2D and 3D diffusion models can help generate decent 3D objects based on prompts. 3D diffusion models have good 3D consistency, but their quality and generalization are limited as trainable 3D data is expensive and hard to obtain. 2D diffusion models enjoy strong abilities of generalization and fine generation, but 3D consistency is hard to guarantee. This paper attempts to bridge the power from the two types of diffusion models via the recent explicit and efficient 3D Gaussian splatting representation. A fast 3D object generation framework, named as GaussianDreamer, is proposed, where the 3D diffusion model provides priors for initialization and the 2D diffusion model enriches the geometry and appearance. Operations of noisy point growing and color perturbation are introduced to enhance the initialized Gaussians. Our GaussianDreamer can generate a high-quality 3D instance or 3D avatar within 15 minutes on one GPU, much faster than previous methods, while the generated instances can be directly rendered in real time. Demos and code are available at https://taoranyi.com/gaussiandreamer/.

cs.CV↗

arXiv2024

Unblind Text Inputs: Predicting Hint-text of Text Input in Mobile Apps via LLM

Mobile apps have become indispensable for accessing and participating in various environments, especially for low-vision users. Users with visual impairments can use screen readers to read the content of each screen and understand the content that needs to be operated. Screen readers need to read the hint-text attribute in the text input component to remind visually impaired users what to fill in. Unfortunately, based on our analysis of 4,501 Android apps with text inputs, over 0.76 of them are missing hint-text. These issues are mostly caused by developers' lack of awareness when considering visually impaired individuals. To overcome these challenges, we developed an LLM-based hint-text generation model called HintDroid, which analyzes the GUI information of input components and uses in-context learning to generate the hint-text. To ensure the quality of hint-text generation, we further designed a feedback-based inspection mechanism to further adjust hint-text. The automated experiments demonstrate the high BLEU and a user study further confirms its usefulness. HintDroid can not only help visually impaired individuals, but also help ordinary people understand the requirements of input components. HintDroid demo video: https://youtu.be/FWgfcctRbfI.

cs.HC↗

arXiv2024

FT2Ra: A Fine-Tuning-Inspired Approach to Retrieval-Augmented Code Completion

The rise of code pre-trained models has significantly enhanced various coding tasks, such as code completion, and tools like GitHub Copilot. However, the substantial size of these models, especially large models, poses a significant challenge when it comes to fine-tuning them for specific downstream tasks. As an alternative approach, retrieval-based methods have emerged as a promising solution, augmenting model predictions without the need for fine-tuning. Despite their potential, a significant challenge is that the designs of these methods often rely on heuristics, leaving critical questions about what information should be stored or retrieved and how to interpolate such information for augmenting predictions. To tackle this challenge, we first perform a theoretical analysis of the fine-tuning process, highlighting the importance of delta logits as a catalyst for improving model predictions. Building on this insight, we develop a novel retrieval-based method, FT2Ra, which aims to mimic genuine fine-tuning. While FT2Ra adopts a retrieval-based mechanism, it uniquely adopts a paradigm with a learning rate and multi-epoch retrievals, which is similar to fine-tuning.In token-level completion, which represents a relatively easier task, FT2Ra achieves a 4.29% improvement in accuracy compared to the best baseline method on UniXcoder. In the more challenging line-level completion task, we observe a substantial more than twice increase in Exact Match (EM) performance, indicating the significant advantages of our theoretical analysis. Notably, even when operating without actual fine-tuning, FT2Ra exhibits competitive performance compared to the models with real fine-tuning.

cs.SE↗

arXiv2024

Topological extension including quantum jump

Non-Hermitian systems and the Lindblad form master equation have always been regarded as reliable tools in dissipative modeling. Intriguingly, existing literature often obtains an equivalent non-Hermitian Hamiltonian by neglecting the quantum jumping terms in the master equation. However, there lacks investigation into the effects of discarded terms as well as the unified connection between these two approaches. In this study, we study the Su-Schrieffer-Heeger model with collective loss and gain from a topological perspective. When the system undergoes no quantum jump events, the corresponding shape matrix exhibits the same topological properties in contrast to the traditional non-Hermitian theory. Conversely, the occurrence of quantum jumps can result in a shift in the positions of the phase transition. Our study provides a qualitative analysis of the impact of quantum jumping terms and reveals their unique role in quantum systems.

quant-ph↗

arXiv2024

LEVA: Using Large Language Models to Enhance Visual Analytics

Visual analytics supports data analysis tasks within complex domain problems. However, due to the richness of data types, visual designs, and interaction designs, users need to recall and process a significant amount of information when they visually analyze data. These challenges emphasize the need for more intelligent visual analytics methods. Large language models have demonstrated the ability to interpret various forms of textual data, offering the potential to facilitate intelligent support for visual analytics. We propose LEVA, a framework that uses large language models to enhance users' VA workflows at multiple stages: onboarding, exploration, and summarization. To support onboarding, we use large language models to interpret visualization designs and view relationships based on system specifications. For exploration, we use large language models to recommend insights based on the analysis of system status and data to facilitate mixed-initiative exploration. For summarization, we present a selective reporting strategy to retrace analysis history through a stream visualization and generate insight reports with the help of large language models. We demonstrate how LEVA can be integrated into existing visual analytics systems. Two usage scenarios and a user study suggest that LEVA effectively aids users in conducting visual analytics.

cs.HC↗

arXiv2024

VEglue: Testing Visual Entailment Systems via Object-Aligned Joint Erasing

Visual entailment (VE) is a multimodal reasoning task consisting of image-sentence pairs whereby a promise is defined by an image, and a hypothesis is described by a sentence. The goal is to predict whether the image semantically entails the sentence. VE systems have been widely adopted in many downstream tasks. Metamorphic testing is the commonest technique for AI algorithms, but it poses a significant challenge for VE testing. They either only consider perturbations on single modality which would result in ineffective tests due to the destruction of the relationship of image-text pair, or just conduct shallow perturbations on the inputs which can hardly detect the decision error made by VE systems. Motivated by the fact that objects in the image are the fundamental element for reasoning, we propose VEglue, an object-aligned joint erasing approach for VE systems testing. It first aligns the object regions in the premise and object descriptions in the hypothesis to identify linked and un-linked objects. Then, based on the alignment information, three Metamorphic Relations are designed to jointly erase the objects of the two modalities. We evaluate VEglue on four widely-used VE systems involving two public datasets. Results show that VEglue could detect 11,609 issues on average, which is 194%-2,846% more than the baselines. In addition, VEglue could reach 52.5% Issue Finding Rate (IFR) on average, and significantly outperform the baselines by 17.1%-38.2%. Furthermore, we leverage the tests generated by VEglue to retrain the VE systems, which largely improves model performance (50.8% increase in accuracy) on newly generated tests without sacrificing the accuracy on the original test set.

cs.CV↗

arXiv2024

Software Testing with Large Language Models: Survey, Landscape, and Vision

Pre-trained large language models (LLMs) have recently emerged as a breakthrough technology in natural language processing and artificial intelligence, with the ability to handle large-scale datasets and exhibit remarkable performance across a wide range of tasks. Meanwhile, software testing is a crucial undertaking that serves as a cornerstone for ensuring the quality and reliability of software products. As the scope and complexity of software systems continue to grow, the need for more effective software testing techniques becomes increasingly urgent, making it an area ripe for innovative approaches such as the use of LLMs. This paper provides a comprehensive review of the utilization of LLMs in software testing. It analyzes 102 relevant studies that have used LLMs for software testing, from both the software testing and LLMs perspectives. The paper presents a detailed discussion of the software testing tasks for which LLMs are commonly used, among which test case preparation and program repair are the most representative. It also analyzes the commonly used LLMs, the types of prompt engineering that are employed, as well as the accompanied techniques with these LLMs. It also summarizes the key challenges and potential opportunities in this direction. This work can serve as a roadmap for future research in this area, highlighting potential avenues for exploration, and identifying gaps in our current understanding of the use of LLMs in software testing.

cs.SE↗

arXiv2024

Adversarial Testing for Visual Grounding via Image-Aware Property Reduction

Due to the advantages of fusing information from various modalities, multimodal learning is gaining increasing attention. Being a fundamental task of multimodal learning, Visual Grounding (VG), aims to locate objects in images through natural language expressions. Ensuring the quality of VG models presents significant challenges due to the complex nature of the task. In the black box scenario, existing adversarial testing techniques often fail to fully exploit the potential of both modalities of information. They typically apply perturbations based solely on either the image or text information, disregarding the crucial correlation between the two modalities, which would lead to failures in test oracles or an inability to effectively challenge VG models. To this end, we propose PEELING, a text perturbation approach via image-aware property reduction for adversarial testing of the VG model. The core idea is to reduce the property-related information in the original expression meanwhile ensuring the reduced expression can still uniquely describe the original object in the image. To achieve this, PEELING first conducts the object and properties extraction and recombination to generate candidate property reduction expressions. It then selects the satisfied expressions that accurately describe the original object while ensuring no other objects in the image fulfill the expression, through querying the image with a visual understanding technique. We evaluate PEELING on the state-of-the-art VG model, i.e. OFA-VG, involving three commonly used datasets. Results show that the adversarial tests generated by PEELING achieves 21.4% in MultiModal Impact score (MMI), and outperforms state-of-the-art baselines for images and texts by 8.2%--15.1%.

cs.CV↗

arXiv2024

E(n)-Equivariant Cartesian Tensor Passing Potential

Machine learning potential (MLP) has been a popular topic in recent years for its potential to replace expensive first-principles calculations in some large systems. Meanwhile, message passing networks have gained significant attention due to their remarkable accuracy, and a wave of message passing networks based on Cartesian coordinates has emerged. However, the information of the node in these models is limited to scalars, vectors, and tensors. In this work, we proposed High-order Tensor Passing Potential (HotPP), an E(n) equivariant message passing neural network that extends the node embedding and message to an arbitrary order tensor. By performing some basic equivariant operations, high order tensors can be coupled very simply and thus the model can make direct predictions of high-order tensors such as dipole moments and polarizabilities without any modifications. Compared to high order tensor models based on spherical vectors, this network is simpler and can achieve comparable accuracy with much fewer parameters. The tests in several datasets demonstrate HotPP is a promising new approach that warrants further investigation.

physics.comp-ph↗

arXiv2024

Play Guessing Game with LLM: Indirect Jailbreak Attack with Implicit Clues

With the development of LLMs, the security threats of LLMs are getting more and more attention. Numerous jailbreak attacks have been proposed to assess the security defense of LLMs. Current jailbreak attacks primarily utilize scenario camouflage techniques. However their explicitly mention of malicious intent will be easily recognized and defended by LLMs. In this paper, we propose an indirect jailbreak attack approach, Puzzler, which can bypass the LLM's defense strategy and obtain malicious response by implicitly providing LLMs with some clues about the original malicious query. In addition, inspired by the wisdom of "When unable to attack, defend" from Sun Tzu's Art of War, we adopt a defensive stance to gather clues about the original malicious query through LLMs. Extensive experimental results show that Puzzler achieves a query success rate of 96.6% on closed-source LLMs, which is 57.9%-82.7% higher than baselines. Furthermore, when tested against the state-of-the-art jailbreak detection approaches, Puzzler proves to be more effective at evading detection compared to baselines.

cs.CR↗

arXiv2024

A Survey on Query-based API Recommendation

Application Programming Interfaces (APIs) are designed to help developers build software more effectively. Recommending the right APIs for specific tasks has gained increasing attention among researchers and developers in recent years. To comprehensively understand this research domain, we have surveyed to analyze API recommendation studies published in the last 10 years. Our study begins with an overview of the structure of API recommendation tools. Subsequently, we systematically analyze prior research and pose four key research questions. For RQ1, we examine the volume of published papers and the venues in which these papers appear within the API recommendation field. In RQ2, we categorize and summarize the prevalent data sources and collection methods employed in API recommendation research. In RQ3, we explore the types of data and common data representations utilized by API recommendation approaches. We also investigate the typical data extraction procedures and collection approaches employed by the existing approaches. RQ4 delves into the modeling techniques employed by API recommendation approaches, encompassing both statistical and deep learning models. Additionally, we compile an overview of the prevalent ranking strategies and evaluation metrics used for assessing API recommendation tools. Drawing from our survey findings, we identify current challenges in API recommendation research that warrant further exploration, along with potential avenues for future research.

cs.IR↗

arXiv2024

From Beginner to Expert: Modeling Medical Knowledge into General LLMs

Recently, large language model (LLM) based artificial intelligence (AI) systems have demonstrated remarkable capabilities in natural language understanding and generation. However, these models face a significant challenge when it comes to sensitive applications, such as reasoning over medical knowledge and answering medical questions in a physician-like manner. Prior studies attempted to overcome this challenge by increasing the model size (>100B) to learn more general medical knowledge, while there is still room for improvement in LLMs with smaller-scale model sizes (<100B). In this work, we start from a pre-trained general LLM model (AntGLM-10B) and fine-tune it from a medical beginner towards a medical expert (called AntGLM-Med-10B), which leverages a 3-stage optimization procedure, i.e., general medical knowledge injection, medical domain instruction tuning, and specific medical task adaptation. Our contributions are threefold: (1) We specifically investigate how to adapt a pre-trained general LLM in medical domain, especially for a specific medical task. (2) We collect and construct large-scale medical datasets for each stage of the optimization process. These datasets encompass various data types and tasks, such as question-answering, medical reasoning, multi-choice questions, and medical conversations. (3) Specifically for multi-choice questions in the medical domain, we propose a novel Verification-of-Choice approach for prompting engineering, which significantly enhances the reasoning ability of LLMs. Remarkably, by combining the above approaches, our AntGLM-Med-10B model can outperform the most of LLMs on PubMedQA, including both general and medical LLMs, even when these LLMs have larger model size.

cs.CL↗