arXiv subjects

Bang Liu

Publications and source records attributed to Bang Liu.

At least 73 records · Page 4Linked to original sources

arXiv2025

System-1.5 Reasoning: Traversal in Language and Latent Spaces with Dynamic Shortcuts

Chain-of-thought (CoT) reasoning enables large language models (LLMs) to move beyond fast System-1 responses and engage in deliberative System-2 reasoning. However, this comes at the cost of significant inefficiency due to verbose intermediate output. Recent latent-space reasoning methods improve efficiency by operating on hidden states without decoding into language, yet they treat all steps uniformly, failing to distinguish critical deductions from auxiliary steps and resulting in suboptimal use of computational resources. In this paper, we propose System-1.5 Reasoning, an adaptive reasoning framework that dynamically allocates computation across reasoning steps through shortcut paths in latent space. Specifically, System-1.5 Reasoning introduces two types of dynamic shortcuts. The model depth shortcut (DS) adaptively reasons along the vertical depth by early exiting non-critical tokens through lightweight adapter branches, while allowing critical tokens to continue through deeper Transformer layers. The step shortcut (SS) reuses hidden states across the decoding steps to skip trivial steps and reason horizontally in latent space. Training System-1.5 Reasoning involves a two-stage self-distillation process: first distilling natural language CoT into latent-space continuous thought, and then distilling full-path System-2 latent reasoning into adaptive shortcut paths (System-1.5 Reasoning). Experiments on reasoning tasks demonstrate the superior performance of our method. For example, on GSM8K, System-1.5 Reasoning achieves reasoning performance comparable to traditional CoT fine-tuning methods while accelerating inference by over 20x and reducing token generation by 92.31% on average.

cs.CL↗

arXiv2025

Seeing Beyond Words: MatVQA for Challenging Visual-Scientific Reasoning in Materials Science

The emergence of Multimodal Large Language Models (MLLMs) that integrate vision and language modalities has unlocked new potentials for scientific reasoning, outperforming prior benchmarks in both natural language and coding domains. Current materials science evaluation datasets such as MaScQA and SciQA remain largely text-based and fail to capture the visual and research-level analytic complexity required in materials discovery and design. We introduce MatVQA, a scalable benchmark specifically designed to address this gap. Generated via an automated pipeline, MArxivAgent, from recent materials literature, MatVQA features 1325 questions across four critical structure-property-performance (SPP) reasoning tasks. Uniquely, MatVQA employs an iterative process to eliminate textual shortcuts, compelling MLLMs to perform fine-grained, low-level visual analysis of material imagery (e.g., microscopy, diffraction patterns) integrated with multi-step scientific reasoning. Benchmarking 17 open- and closed-source MLLMs on MatVQA reveals substantial gaps in current multimodal reasoning capabilities. MatVQA benchmark data, along with evaluation code, is publicly available in \href{https://anonymous.4open.science/r/matvqa-1E01}{https://anonymous.4open.science/r/matvqa-1E01/README.md} to catalyze further research in applying MLLMs to complex materials science problems.

cs.CE↗

arXiv2025

TradExpert: Revolutionizing Trading with Mixture of Expert LLMs

The integration of Artificial Intelligence (AI) in the financial domain has opened new avenues for quantitative trading, particularly through the use of Large Language Models (LLMs). However, the challenge of effectively synthesizing insights from diverse data sources and integrating both structured and unstructured data persists. This paper presents TradeExpert, a novel framework that employs a mix of experts (MoE) approach, using four specialized LLMs, each analyzing distinct sources of financial data, including news articles, market data, alpha factors, and fundamental data. The insights of these expert LLMs are further synthesized by a General Expert LLM to make a final prediction or decision. With specific prompts, TradeExpert can be switched between the prediction mode and the ranking mode for stock movement prediction and quantitative stock trading, respectively. In addition to existing benchmarks, we also release a large-scale financial dataset to comprehensively evaluate TradeExpert's effectiveness. Our experimental results demonstrate TradeExpert's superior performance across all trading scenarios.

cs.AI↗

arXiv2025

VCR: A Task for Pixel-Level Complex Reasoning in Vision Language Models via Restoring Occluded Text

We introduce Visual Caption Restoration (VCR), a novel vision-language task that challenges models to accurately restore partially obscured texts using pixel-level hints within images. This task stems from the observation that text embedded in images is intrinsically different from common visual elements and natural language due to the need to align the modalities of vision, text, and text embedded in images. While numerous works have integrated text embedded in images into visual question-answering tasks, approaches to these tasks generally rely on optical character recognition or masked language modeling, thus reducing the task to mainly text-based processing. However, text-based processing becomes ineffective in VCR as accurate text restoration depends on the combined information from provided images, context, and subtle cues from the tiny exposed areas of masked texts. We develop a pipeline to generate synthetic images for the VCR task using image-caption pairs, with adjustable caption visibility to control the task difficulty. With this pipeline, we construct a dataset for VCR called VCR-Wiki using images with captions from Wikipedia, comprising 2.11M English and 346K Chinese entities in both easy and hard split variants. Our results reveal that current vision language models significantly lag behind human performance in the VCR task, and merely fine-tuning the models on our dataset does not lead to notable improvements. We release VCR-Wiki and the data construction code to facilitate future research.

cs.CV↗

arXiv2025

AFlow: Automating Agentic Workflow Generation

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code is available at https://github.com/FoundationAgents/AFlow.

cs.AI↗

arXiv2025

Accelerated Inorganic Materials Design with Generative AI Agents

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability. Here, we present MatAgent, a generative approach for inorganic materials discovery that harnesses the powerful reasoning capabilities of large language models (LLMs). By combining a diffusion-based generative model for crystal structure estimation with a predictive model for property evaluation, MatAgent uses iterative, feedback-driven guidance to steer material exploration precisely toward user-defined targets. Integrated with external cognitive tools-including short-term memory, long-term memory, the periodic table, and a comprehensive materials knowledge base-MatAgent emulates human expert reasoning to vastly expand the accessible compositional space. Our results demonstrate that MatAgent robustly directs exploration toward desired properties while consistently achieving high compositional validity, uniqueness, and material novelty. This framework thus provides a highly interpretable, practical, and versatile AI-driven solution to accelerate the discovery and design of next-generation inorganic materials.

cond-mat.mtrl-sci↗

arXiv2025

R$^3$Mem: Bridging Memory Retention and Retrieval via Reversible Compression

Memory plays a key role in enhancing LLMs' performance when deployed to real-world applications. Existing solutions face trade-offs: explicit memory designs based on external storage require complex management and incur storage overhead, while implicit memory designs that store information via parameters struggle with reliable retrieval. In this paper, we propose R$^3$Mem, a memory network that optimizes both information Retention and Retrieval through Reversible context compression. Specifically, R$^3$Mem employs virtual memory tokens to compress and encode infinitely long histories, further enhanced by a hierarchical compression strategy that refines information from document- to entity-level for improved assimilation across granularities. For retrieval, R$^3$Mem employs a reversible architecture, reconstructing raw data by invoking the model backward with compressed information. Implemented via parameter-efficient fine-tuning, it can integrate seamlessly with any Transformer-based model. Experiments demonstrate that our memory design achieves state-of-the-art performance in long-context language modeling and retrieval-augmented generation tasks. It also significantly outperforms conventional memory modules in long-horizon interaction tasks like conversational agents, showcasing its potential for next-generation retrieval systems.

cs.CL↗

arXiv2025

Diatomic and Polyatomic Heteronuclear Ultralong-Range Rydberg Molecules

Ultra-long-range Rydberg molecules (ULRMs) have attracted significant interest due to their unique electronic properties and potential applications in quantum technologies. We theoretically investigate the formation and characteristics of heteronuclear ULRMs, focusing on Rb-Cs systems. We explore the vibrational energy levels of heteronuclear nD ULRMs and compare them with homonuclear counterparts. We also predict the formation of polyatomic heteronuclear ULRMs, discussing how the binding energy and spectral features evolve as the number of ground-state atoms increases. Our theoretical predictions are presented in terms of molecular spectra and provide insight into the formation dynamics of these systems. The study further explores the potential applications of heteronuclear ULRMs in quantum information processing, quantum simulation, and precision measurements, offering new avenues for future research in many-body physics and quantum technologies.

quant-ph↗

arXiv2024

A Rb-Cs dual-species magneto-optical trap

We describe a three-dimensional (3D) magneto-optical trap (MOT) capable of simultaneously capturing 85Rb and 133Cs atoms. Unlike conventional setups, our system utilizes two separate laser systems that are combined before entering the vacuum chamber, enabling the simultaneous trapping of two different atomic species. Additionally, in our 3D MOT configuration, two (of three) pairs of laser beams are not orthogonal to the chamber surfaces but are aligned at a 45° angle. With a total trapping laser power of 8 mW and repump laser power of 4 mW for Rb atoms, and a total trapping laser power of 7.5 mW and repump laser power of 1.5 mW for Cs atoms, we achieve optical depths (OD) of 3.71 for Rb and 3.45 for Cs, demonstrating efficient trapping for both species. Our 3D MOT setup allows full horizontal optical access to the trapped atomic ensembles without spatial interference from the trapping or repump laser beams. Moreover, the red detuning for trapping both atomic species is smaller than in traditional configurations. This system offers a versatile platform for exploring complex phenomena in ultracold atom physics, such as Rydberg molecule formation and interspecies interactions.

physics.atom-ph↗

arXiv2024

Folded multistability and hidden critical point in microwave-driven Rydberg atoms

The interactions between Rydberg atoms and microwave fields provide a valuable framework for studying the complex dynamics out of equilibrium, exotic phases, and critical phenomena in many-body physics. This unique interplay allows us to explore various regimes of nonlinearity and phase transitions. Here, we observe a phase transition from the state in the regime of bistability to that in multistability in strongly interacting Rydberg atoms by varying the microwave field intensity, accompanying with the breaking of Z3-symmetry. During the phase transition, the system experiences a hidden critical point, in which the multistable states are difficult to be identified. Through changing the initial state of system, we can identify a hidden multistable state and reveal a hidden trajectory of phase transition, allowing us to track to a hidden critical point. In addition, we observe multiple phase transitions in spectra, suggesting higher-order symmetry breaking. The reported results shed light on manipulating multistability in dissipative Rydberg atoms systems and hold promise in the applications of non-equilibrium many-body physics.

cond-mat.quant-gas↗

arXiv2024

FACT: Examining the Effectiveness of Iterative Context Rewriting for Multi-fact Retrieval

Large Language Models (LLMs) are proficient at retrieving single facts from extended contexts, yet they struggle with tasks requiring the simultaneous retrieval of multiple facts, especially during generation. This paper identifies a novel "lost-in-the-middle" phenomenon, where LLMs progressively lose track of critical information throughout the generation process, resulting in incomplete or inaccurate retrieval. To address this challenge, we introduce Find All Crucial Texts (FACT), an iterative retrieval method that refines context through successive rounds of rewriting. This approach enables models to capture essential facts incrementally, which are often overlooked in single-pass retrieval. Experiments demonstrate that FACT substantially enhances multi-fact retrieval performance across various tasks, though improvements are less notable in general-purpose QA scenarios. Our findings shed light on the limitations of LLMs in multi-fact retrieval and underscore the need for more resilient long-context retrieval strategies.

cs.CL↗

arXiv2024

MatExpert: Decomposing Materials Discovery by Mimicking Human Experts

Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a novel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the discovery and design of new solid-state materials. Inspired by the workflow of human materials design experts, our approach integrates three key stages: retrieval, transition, and generation. First, in the retrieval stage, MatExpert identifies an existing material that closely matches the desired criteria. Second, in the transition stage, MatExpert outlines the necessary modifications to transform this material formulation to meet specific requirements outlined by the initial user query. Third, in the generation state, MatExpert performs detailed computations and structural generation to create new materials based on the provided information. Our experimental results demonstrate that MatExpert outperforms state-of-the-art methods in material generation tasks, achieving superior performance across various metrics including validity, distribution, and stability. As such, MatExpert represents a meaningful advancement in computational material discovery using langauge-based generative models.

cond-mat.mtrl-sci↗

arXiv2024

OSCAR: Operating System Control via State-Aware Reasoning and Re-Planning

Large language models (LLMs) and large multimodal models (LMMs) have shown great potential in automating complex tasks like web browsing and gaming. However, their ability to generalize across diverse applications remains limited, hindering broader utility. To address this challenge, we present OSCAR: Operating System Control via state-Aware reasoning and Re-planning. OSCAR is a generalist agent designed to autonomously navigate and interact with various desktop and mobile applications through standardized controls, such as mouse and keyboard inputs, while processing screen images to fulfill user commands. OSCAR translates human instructions into executable Python code, enabling precise control over graphical user interfaces (GUIs). To enhance stability and adaptability, OSCAR operates as a state machine, equipped with error-handling mechanisms and dynamic task re-planning, allowing it to efficiently adjust to real-time feedback and exceptions. We demonstrate OSCAR's effectiveness through extensive experiments on diverse benchmarks across desktop and mobile platforms, where it transforms complex workflows into simple natural language commands, significantly boosting user productivity. Our code will be open-source upon publication.

cs.AI↗

arXiv2024

SELA: Tree-Search Enhanced LLM Agents for Automated Machine Learning

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

cs.AI↗

arXiv2024

Pairing Analogy-Augmented Generation with Procedural Memory for Procedural Q&A

Large language models struggle to synthesize disparate pieces of information into a coherent plan when approaching a complex procedural task. In this work, we introduce a novel formalism and structure for such procedural knowledge. Based on this formalism, we present a novel procedural knowledge dataset called LCStep, which we created from LangChain tutorials. To leverage this procedural knowledge to solve new tasks, we propose analogy-augmented generation (AAG), which draws inspiration from the human ability to assimilate past experiences to solve unfamiliar problems. AAG uses a custom procedure memory store to retrieve and adapt specialized domain knowledge to answer new procedural tasks. We demonstrate that AAG outperforms few-shot and RAG baselines on LCStep, RecipeNLG, and CHAMP datasets under a pairwise LLM-based evaluation, corroborated by human evaluation in the case of RecipeNLG.

cs.AI↗

arXiv2024

Higher-order and fractional discrete time crystals in Floquet-driven Rydberg atoms

Higher-order and fractional discrete time crystals (DTCs) are exotic phases of matter where the discrete time translation symmetry is broken into higher-order and non-integer category. Generation of these unique DTCs has been widely studied theoretically in different systems. However, no current experimental methods can probe these higher-order and fractional DTCs in any quantum many-body systems. We demonstrate an experimental approach to observe higher-order and fractional DTCs in Floquet-driven Rydberg atomic gases. We have discovered multiple $n$-DTCs with integer values of $n$ = 2, 3, and 4, and others ranging up to 14, along with fractional $n$-DTCs with $n$ values beyond the integers. The system response can transition between adjacent integer DTCs, during which the fractional DTCs are investigated. Study of higher-order and fractional DTCs expands fundamental knowledge of non-equilibrium dynamics and is promising for discovery of more complex temporal symmetries beyond the single discrete time translation symmetry.

cond-mat.quant-gas↗

arXiv2024

Data Interpreter: An LLM Agent For Data Science

Large Language Model (LLM)-based agents have shown effectiveness across many applications. However, their use in data science scenarios requiring solving long-term interconnected tasks, dynamic data adjustments and domain expertise remains challenging. Previous approaches primarily focus on individual tasks, making it difficult to assess the complete data science workflow. Moreover, they struggle to handle real-time changes in intermediate data and fail to adapt dynamically to evolving task dependencies inherent to data science problems. In this paper, we present Data Interpreter, an LLM-based agent designed to automatically solve various data science problems end-to-end. Our Data Interpreter incorporates two key modules: 1) Hierarchical Graph Modeling, which breaks down complex problems into manageable subproblems, enabling dynamic node generation and graph optimization; and 2) Programmable Node Generation, a technique that refines and verifies each subproblem to iteratively improve code generation results and robustness. Extensive experiments consistently demonstrate the superiority of Data Interpreter. On InfiAgent-DABench, it achieves a 25% performance boost, raising accuracy from 75.9% to 94.9%. For machine learning and open-ended tasks, it improves performance from 88% to 95%, and from 60% to 97%, respectively. Moreover, on the MATH dataset, Data Interpreter achieves remarkable performance with a 26% improvement compared to state-of-the-art baselines. The code is available at https://github.com/geekan/MetaGPT.

cs.AI↗

arXiv2024

Enhancing Agent Learning through World Dynamics Modeling

Large language models (LLMs) have been increasingly applied to tasks in language understanding and interactive decision-making, with their impressive performance largely attributed to the extensive domain knowledge embedded within them. However, the depth and breadth of this knowledge can vary across domains. Many existing approaches assume that LLMs possess a comprehensive understanding of their environment, often overlooking potential gaps in their grasp of actual world dynamics. To address this, we introduce Discover, Verify, and Evolve (DiVE), a framework that discovers world dynamics from a small number of demonstrations, verifies the accuracy of these dynamics, and evolves new, advanced dynamics tailored to the current situation. Through extensive evaluations, we assess the impact of each component on performance and compare the dynamics generated by DiVE to human-annotated dynamics. Our results show that LLMs guided by DiVE make more informed decisions, achieving rewards comparable to human players in the Crafter environment and surpassing methods that require prior task-specific training in the MiniHack environment.

cs.AI↗