Goto

Collaborating Authors

 Materials


RIDE: Enhancing Large Language Model Alignment through Restyled In-Context Learning Demonstration Exemplars

arXiv.org Artificial Intelligence

Alignment tuning is crucial for ensuring large language models (LLMs) behave ethically and helpfully. Current alignment approaches require high-quality annotations and significant training resources. This paper proposes a low-cost, tuning-free method using in-context learning (ICL) to enhance LLM alignment. Through an analysis of high-quality ICL demos, we identified style as a key factor influencing LLM alignment capabilities and explicitly restyled ICL exemplars based on this stylistic framework. Additionally, we combined the restyled demos to achieve a balance between the two conflicting aspects of LLM alignment--factuality and safety. We packaged the restyled examples as prompts to trigger few-shot learning, improving LLM alignment. Compared to the best baseline approach, with an average score of 5.00 as the maximum, our method achieves a maximum 0.10 increase on the Alpaca task (from 4.50 to 4.60), a 0.22 enhancement on the Just-eval benchmark (from 4.34 to 4.56), and a maximum improvement of 0.32 (from 3.53 to 3.85) on the MT-Bench dataset. We release the code and data at https://github.com/AnonymousCode-ComputerScience/RIDE.


LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities

arXiv.org Artificial Intelligence

Generative models are spearheading recent progress in deep learning, showing strong promise for trajectory sampling in dynamical systems as well. However, while latent space modeling paradigms have transformed image and video generation, similar approaches are more difficult for most dynamical systems. Such systems -- from chemical molecule structures to collective human behavior -- are described by interactions of entities, making them inherently linked to connectivity patterns and the traceability of entities over time. Our approach, LaM-SLidE (Latent Space Modeling of Spatial Dynamical Systems via Linked Entities), combines the advantages of graph neural networks, i.e., the traceability of entities across time-steps, with the efficiency and scalability of recent advances in image and video generation, where pre-trained encoder and decoder are frozen to enable generative modeling in the latent space. The core idea of LaM-SLidE is to introduce identifier representations (IDs) to allow for retrieval of entity properties, e.g., entity coordinates, from latent system representations and thus enables traceability. Experimentally, across different domains, we show that LaM-SLidE performs favorably in terms of speed, accuracy, and generalizability. (Code is available at https://github.com/ml-jku/LaM-SLidE)


Soft Robotics for Search and Rescue: Advancements, Challenges, and Future Directions

arXiv.org Artificial Intelligence

Soft robotics has emerged as a transformative technology in Search and Rescue (SAR) operations, addressing challenges in navigating complex, hazardous environments that often limit traditional rigid robots. This paper critically examines advancements in soft robotic technologies tailored for SAR applications, focusing on their unique capabilities in adaptability, safety, and efficiency. By leveraging bio-inspired designs, flexible materials, and advanced locomotion mechanisms, such as crawling, rolling, and shape morphing, soft robots demonstrate exceptional potential in disaster scenarios. However, significant barriers persist, including material durability, power inefficiency, sensor integration, and control complexity. This comprehensive review highlights the current state of soft robotics in SAR, discusses simulation methodologies and hardware validations, and introduces performance metrics essential for their evaluation. By bridging the gap between theoretical advancements and practical deployment, this study underscores the potential of soft robotic systems to revolutionize SAR missions and advocates for continued interdisciplinary innovation to overcome existing limitations.


Locally-Deployed Chain-of-Thought (CoT) Reasoning Model in Chemical Engineering: Starting from 30 Experimental Data

arXiv.org Artificial Intelligence

In the field of chemical engineering, traditional data-processing and prediction methods face significant challenges. Machine-learning and large-language models (LLMs) also have their respective limitations. This paper explores the application of the Chain-of-Thought (CoT) reasoning model in chemical engineering, starting from 30 experimental data points. By integrating traditional surrogate models like Gaussian processes and random forests with powerful LLMs such as DeepSeek-R1, a hierarchical architecture is proposed. Two CoT-building methods, Large Language Model-Chain of Thought (LLM-CoT) and Machine Learning-Large Language Model-Chain of Thought (ML-LLM-CoT), are studied. The LLM-CoT combines local models DeepSeek-r1:14b and Qwen2:7b with Ollama. The ML-LLM-CoT integrates a pre-trained Gaussian ML model with the LLM-based CoT framework. Our results show that during construction, ML-LLM-CoT is more efficient. It only has 2 points that require rethink and a total of 4 rethink times, while LLM-CoT has 5 points that need to be re-thought and 34 total rethink times. In predicting the solubility of 20 molecules with dissimilar structures, the number of molecules with a prediction deviation higher than 100\% for the Gaussian model, LLM-CoT, and ML-LLM-CoT is 7, 6, and 4 respectively. These results indicate that ML-LLM-CoT performs better in controlling the number of high-deviation molecules, optimizing the average deviation, and achieving a higher success rate in solubility judgment, providing a more reliable method for chemical engineering and molecular property prediction. This study breaks through the limitations of traditional methods and offers new solutions for rapid property prediction and process optimization in chemical engineering.


How Do LLMs Acquire New Knowledge? A Knowledge Circuits Perspective on Continual Pre-Training

arXiv.org Artificial Intelligence

Despite exceptional capabilities in knowledge-intensive tasks, Large Language Models (LLMs) face a critical gap in understanding how they internalize new knowledge, particularly how to structurally embed acquired knowledge in their neural computations. We address this issue through the lens of knowledge circuit evolution, identifying computational subgraphs that facilitate knowledge storage and processing. Our systematic analysis of circuit evolution throughout continual pre-training reveals several key findings: (1) the acquisition of new knowledge is influenced by its relevance to pre-existing knowledge; (2) the evolution of knowledge circuits exhibits a distinct phase shift from formation to optimization; (3) the evolution of knowledge circuits follows a deep-to-shallow pattern. These insights not only advance our theoretical understanding of the mechanisms of new knowledge acquisition in LLMs, but also provide potential implications for improving continual pre-training strategies to enhance model performance. Code and data will be available at https://github.com/zjunlp/DynamicKnowledgeCircuits.


Teleportation With Null Space Gradient Projection for Optimization Acceleration

arXiv.org Artificial Intelligence

Optimization techniques have become increasingly critical due to the ever-growing model complexity and data scale. In particular, teleportation has emerged as a promising approach, which accelerates convergence of gradient descent-based methods by navigating within the loss invariant level set to identify parameters with advantageous geometric properties. Existing teleportation algorithms have primarily demonstrated their effectiveness in optimizing Multi-Layer Perceptrons (MLPs), but their extension to more advanced architectures, such as Convolutional Neural Networks (CNNs) and Transformers, remains challenging. Moreover, they often impose significant computational demands, limiting their applicability to complex architectures. To this end, we introduce an algorithm that projects the gradient of the teleportation objective function onto the input null space, effectively preserving the teleportation within the loss invariant level set and reducing computational cost. Our approach is readily generalizable from MLPs to CNNs, transformers, and potentially other advanced architectures. We validate the effectiveness of our algorithm across various benchmark datasets and optimizers, demonstrating its broad applicability.


Enhancing Frame Detection with Retrieval Augmented Generation

arXiv.org Artificial Intelligence

Recent advancements in Natural Language Processing have significantly improved the extraction of structured semantic representations from unstructured text, especially through Frame Semantic Role Labeling (FSRL). Despite this progress, the potential of Retrieval-Augmented Generation (RAG) models for frame detection remains under-explored. In this paper, we present the first RAG-based approach for frame detection called RCIF (Retrieve Candidates and Identify Frames). RCIF is also the first approach to operate without the need for explicit target span and comprises three main stages: (1) generation of frame embeddings from various representations ; (2) retrieval of candidate frames given an input text; and (3) identification of the most suitable frames. We conducted extensive experiments across multiple configurations, including zero-shot, few-shot, and fine-tuning settings. Our results show that our retrieval component significantly reduces the complexity of the task by narrowing the search space thus allowing the frame identifier to refine and complete the set of candidates. Our approach achieves state-of-the-art performance on FrameNet 1.5 and 1.7, demonstrating its robustness in scenarios where only raw text is provided. Furthermore, we leverage the structured representation obtained through this method as a proxy to enhance generalization across lexical variations in the task of translating natural language questions into SPARQL queries.


Exploring the Role of Artificial Intelligence and Machine Learning in Process Optimization for Chemical Industry

arXiv.org Artificial Intelligence

The crucial field of Optical Chemical Structure Recognition (OCSR) aims to transform chemical structure photographs into machine-readable formats so that chemical databases may be efficiently stored and queried. Although a number of OCSR technologies have been created, little is known about how well they work in different picture deterioration scenarios. In this work, a new dataset of chemically structured images that have been systematically harmed graphically by compression, noise, distortion, and black overlays is presented. On these subsets, publicly accessible OCSR tools were thoroughly tested to determine how resilient they were to unfavorable circumstances. The outcomes show notable performance variation, underscoring each tool's advantages and disadvantages. Interestingly, MolScribe performed best under heavy compression (55.8% at 99%) and had the highest identification rate on undamaged photos (94.6%). MolVec performed exceptionally well against noise and black overlay (86.8% at 40%), although it declined under extreme distortion (<70%). With recognition rates below 30%, Decimer demonstrated strong sensitivity to noise and black overlay, but Imago had the lowest baseline accuracy (73.6%). The creative assessment of this study offers important new information about how well the OCSR tool performs when images deteriorate, as well as useful standards for tool development in the future.


Universal Machine Learning Interatomic Potentials are Ready for Solid Ion Conductors

arXiv.org Artificial Intelligence

With the rapid development of energy storage technology, high-performance solid-state electrolytes (SSEs) have become critical for next-generation lithium-ion batteries. These materials require high ionic conductivity, excellent electrochemical stability, and good mechanical properties to meet the demands of electric vehicles and portable electronics. However, traditional methods like density functional theory (DFT) and empirical force fields face challenges such as high computational costs, poor scalability, and limited accuracy across material systems. Universal machine learning interatomic potentials (uMLIPs) offer a promising solution with their efficiency and near-DFT-level accuracy.This study systematically evaluates six advanced uMLIP models (MatterSim, MACE, SevenNet, CHGNet, M3GNet, and ORBFF) in terms of energy, forces, thermodynamic properties, elastic moduli, and lithium-ion diffusion behavior. The results show that MatterSim outperforms others in nearly all metrics, particularly in complex material systems, demonstrating superior accuracy and physical consistency. Other models exhibit significant deviations due to issues like energy inconsistency or insufficient training data coverage.Further analysis reveals that MatterSim achieves excellent agreement with reference values in lithium-ion diffusivity calculations, especially at room temperature. Studies on Li3YCl6 and Li6PS5Cl uncover how crystal structure, anion disorder levels, and Na/Li arrangements influence ionic conductivity. Appropriate S/Cl disorder levels and optimized Na/Li arrangements enhance diffusion pathway connectivity, improving overall ionic transport performance.


A standardised platform for translational advances in fluidic soft systems

arXiv.org Artificial Intelligence

Soft machines are poised to deliver significant real-world impact, with soft robotics emerging as a key sub-discipline. This field integrates biological inspiration, materials science, and embodied intelligence to create bio-robotic hybrids, blurring the boundary between engineered systems and biology. Over the past 15 years, research in fluidically controlled soft robots has led to commercialised systems that leverage "softness" to improve human-machine interaction or to handle delicate objects. However, translating laboratory advancements into scalable applications remains challenging due to difficulties in prototyping and manufacturing ultra-flexible materials, as well as the absence of standardised design processes. Here we show that the Flex Printer, an open-source, low-cost FDM platform, enables reliable printing of ultra-flexible soft robots with embedded fluidic logic. By employing an innovative upside-down print orientation, the system significantly expands the range of printable geometries. We demonstrate how this approach allows robots to autonomously walk off the print bed immediately after fabrication - a milestone achievement in soft robotics. This work provides a foundation for standardisation and scalable manufacturing, critical for accelerating the field's impact. More broadly, by lowering barriers to entry, this platform has the potential to democratise soft robotics research and facilitate the development of new applications. We invite the community to contribute to the shared development of this technology to drive the next wave of breakthroughs in soft robotics.