arXiv subjects

Biqing Qi

Publications and source records attributed to Biqing Qi.

At least 55 records · Page 3Linked to original sources

arXiv2025

SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy

Deep learning holds immense promise for spectroscopy, yet research and evaluation in this emerging field often lack standardized formulations. To address this issue, we introduce SpectrumLab, a pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy. SpectrumLab integrates three core components: a comprehensive Python library featuring essential data processing and evaluation tools, along with leaderboards; an innovative SpectrumAnnotator module that generates high-quality benchmarks from limited seed data; and SpectrumBench, a multi-layered benchmark suite covering 14 spectroscopic tasks and over 10 spectrum types, featuring spectra curated from over 1.2 million distinct chemical substances. Thorough empirical studies on SpectrumBench with 18 cutting-edge multimodal LLMs reveal critical limitations of current approaches. We hope SpectrumLab will serve as a crucial foundation for future advancements in deep learning-driven spectroscopy.

cs.LG↗

arXiv2025

ScaleCUA: Scaling Open-Source Computer Use Agents with Cross-Platform Data

Vision-Language Models (VLMs) have enabled computer use agents (CUAs) that operate GUIs autonomously, showing great potential, yet progress is limited by the lack of large-scale, open-source computer use data and foundation models. In this work, we introduce ScaleCUA, a step toward scaling open-source CUAs. It offers a large-scale dataset spanning 6 operating systems and 3 task domains, built via a closed-loop pipeline uniting automated agents with human experts. Trained on this scaled-up data, ScaleCUA can operate seamlessly across platforms. Specifically, it delivers strong gains over baselines (+26.6 on WebArena-Lite-v2, +10.7 on ScreenSpot-Pro) and sets new state-of-the-art results (94.4% on MMBench-GUI L1-Hard, 60.6% on OSWorld-G, 47.4% on WebArena-Lite-v2). These findings underscore the power of data-driven scaling for general-purpose computer use agents. We will release data, models, and code to advance future research: https://github.com/OpenGVLab/ScaleCUA.

cs.CV↗

arXiv2025

InternVL3.5: Advancing Open-Source Multimodal Models in Versatility, Reasoning, and Efficiency

We introduce InternVL 3.5, a new family of open-source multimodal models that significantly advances versatility, reasoning capability, and inference efficiency along the InternVL series. A key innovation is the Cascade Reinforcement Learning (Cascade RL) framework, which enhances reasoning through a two-stage process: offline RL for stable convergence and online RL for refined alignment. This coarse-to-fine training strategy leads to substantial improvements on downstream reasoning tasks, e.g., MMMU and MathVista. To optimize efficiency, we propose a Visual Resolution Router (ViR) that dynamically adjusts the resolution of visual tokens without compromising performance. Coupled with ViR, our Decoupled Vision-Language Deployment (DvD) strategy separates the vision encoder and language model across different GPUs, effectively balancing computational load. These contributions collectively enable InternVL3.5 to achieve up to a +16.0\% gain in overall reasoning performance and a 4.05$\times$ inference speedup compared to its predecessor, i.e., InternVL3. In addition, InternVL3.5 supports novel capabilities such as GUI interaction and embodied agency. Notably, our largest model, i.e., InternVL3.5-241B-A28B, attains state-of-the-art results among open-source MLLMs across general multimodal, reasoning, text, and agentic tasks -- narrowing the performance gap with leading commercial models like GPT-5. All models and code are publicly released.

cs.CV↗

arXiv2025

ReviewRL: Towards Automated Scientific Review with RL

Peer review is essential for scientific progress but faces growing challenges due to increasing submission volumes and reviewer fatigue. Existing automated review approaches struggle with factual accuracy, rating consistency, and analytical depth, often generating superficial or generic feedback lacking the insights characteristic of high-quality human reviews. We introduce ReviewRL, a reinforcement learning framework for generating comprehensive and factually grounded scientific paper reviews. Our approach combines: (1) an ArXiv-MCP retrieval-augmented context generation pipeline that incorporates relevant scientific literature, (2) supervised fine-tuning that establishes foundational reviewing capabilities, and (3) a reinforcement learning procedure with a composite reward function that jointly enhances review quality and rating accuracy. Experiments on ICLR 2025 papers demonstrate that ReviewRL significantly outperforms existing methods across both rule-based metrics and model-based quality assessments. ReviewRL establishes a foundational framework for RL-driven automatic critique generation in scientific discovery, demonstrating promising potential for future development in this domain. The implementation of ReviewRL will be released at GitHub.

cs.CL↗

arXiv2025

Chem3DLLM: 3D Multimodal Large Language Models for Chemistry

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language models, they cannot handle the generation of 3D molecular conformation due to several challenges: 1) 3D molecular structures are incompatible with LLMs' discrete token space, 2) integrating heterogeneous inputs like proteins, ligands, and text remains difficult within a unified model, and 3) LLMs lack essential scientific priors, hindering the enforcement of physical and chemical constraints during generation. To tackle these issues, we present Chem3DLLM, a unified protein-conditioned multimodal large language model. Our approach designs a novel reversible text encoding for 3D molecular structures using run-length compression, achieving 3x size reduction while preserving complete structural information. This enables seamless integration of molecular geometry with protein pocket features in a single LLM architecture. We employ reinforcement learning with stability-based rewards to optimize chemical validity and incorporate a lightweight protein embedding projector for end-to-end training. Experimental results on structure-based drug design demonstrate state-of-the-art performance with a Vina score of -7.21, validating our unified multimodal approach for practical drug discovery applications.

cs.CE↗

arXiv2025

T-GRAG: A Dynamic GraphRAG Framework for Resolving Temporal Conflicts and Redundancy in Knowledge Retrieval

Large language models (LLMs) have demonstrated strong performance in natural language generation but remain limited in knowle- dge-intensive tasks due to outdated or incomplete internal knowledge. Retrieval-Augmented Generation (RAG) addresses this by incorporating external retrieval, with GraphRAG further enhancing performance through structured knowledge graphs and multi-hop reasoning. However, existing GraphRAG methods largely ignore the temporal dynamics of knowledge, leading to issues such as temporal ambiguity, time-insensitive retrieval, and semantic redundancy. To overcome these limitations, we propose Temporal GraphRAG (T-GRAG), a dynamic, temporally-aware RAG framework that models the evolution of knowledge over time. T-GRAG consists of five key components: (1) a Temporal Knowledge Graph Generator that creates time-stamped, evolving graph structures; (2) a Temporal Query Decomposition mechanism that breaks complex temporal queries into manageable sub-queries; (3) a Three-layer Interactive Retriever that progressively filters and refines retrieval across temporal subgraphs; (4) a Source Text Extractor to mitigate noise; and (5) a LLM-based Generator that synthesizes contextually and temporally accurate responses. We also introduce Time-LongQA, a novel benchmark dataset based on real-world corporate annual reports, designed to test temporal reasoning across evolving knowledge. Extensive experiments show that T-GRAG significantly outperforms prior RAG and GraphRAG baselines in both retrieval accuracy and response relevance under temporal constraints, highlighting the necessity of modeling knowledge evolution for robust long-text question answering. Our code is publicly available on the T-GRAG

cs.AI↗

arXiv2025

MLLM-based Discovery of Intrinsic Coordinates and Governing Equations from High-Dimensional Data

Discovering governing equations from scientific data is crucial for understanding the evolution of systems, and is typically framed as a search problem within a candidate equation space. However, the high-dimensional nature of dynamical systems leads to an exponentially expanding equation space, making the search process extremely challenging. The visual perception and pre-trained scientific knowledge of multimodal large language models (MLLM) hold promise for providing effective navigation in high-dimensional equation spaces. In this paper, we propose a zero-shot method based on MLLM for automatically discovering physical coordinates and governing equations from high-dimensional data. Specifically, we design a series of enhanced visual prompts for MLLM to enhance its spatial perception. In addition, MLLM's domain knowledge is employed to navigate the search process within the equation space. Quantitative and qualitative evaluations on two representative types of systems demonstrate that the proposed method effectively discovers the physical coordinates and equations from both simulated and real experimental data, with long-term extrapolation accuracy improved by approximately 26.96% compared to the baseline.

cs.CE↗

arXiv2025

OS-MAP: How Far Can Computer-Using Agents Go in Breadth and Depth?

Computer-using agents have shown strong potential to boost human productivity and enable new application forms across platforms. While recent advances have led to usable applications, existing benchmarks fail to account for the internal task heterogeneity and the corresponding agent capabilities, as well as their alignment with actual user demands-hindering both targeted capability development and the reliable transition of research progress into practical deployment. To bridge the gap, we present OS-MAP, a benchmark for daily computer-using automation that organizes its 416 realistic tasks across 15 applications along two key dimensions: a five-level taxonomy of automation and a generalization scope derived from a real-world user demand hierarchy. To enable fine-grained analysis of required capabilities and alignment with real-world scenarios, OS-MAP evaluates agents along two dimensions: automation level across a five-level taxonomy, and generalization scope across a demand hierarchy. This design captures varying levels of required agent autonomy and generalization, forming a performance-generalization evaluation matrix for structured and comprehensive assessment. Experiments show that even State-of-the-Art agents with VLM backbones struggle with higher-level tasks involving perception, reasoning, and coordination-highlighting the need for a deeper understanding of current strengths and limitations to drive the future progress in computer-using agents research and deployment. All code, environments, baselines, and data are publicly available at https://github.com/OS-Copilot/OS-Map.

cs.AI↗

arXiv2025

Intuitive Fine-Tuning: Towards Simplifying Alignment into a Single Process

Supervised Fine-Tuning (SFT) and Preference Optimization (PO) are key processes for aligning Language Models (LMs) with human preferences post pre-training. While SFT excels in efficiency and PO in effectiveness, they are often combined sequentially without integrating their optimization objectives. This approach ignores the opportunities to bridge their paradigm gap and take the strengths from both. In this paper, we interpret SFT and PO with two sub-processes -- Preference Estimation and Transition Optimization -- defined at token level within the Markov Decision Process (MDP). This modeling shows that SFT is only a special case of PO with inferior estimation and optimization. PO estimates the model's preference by its entire generation, while SFT only scores model's subsequent predicted tokens based on prior tokens from ground truth answer. These priors deviates from model's distribution, hindering the preference estimation and transition optimization. Building on this view, we introduce Intuitive Fine-Tuning (IFT) to integrate SFT and PO into a single process. Through a temporal residual connection, IFT brings better estimation and optimization by capturing LMs' intuitive sense of its entire answers. But it solely relies on a single policy and the same volume of non-preference-labeled data as SFT. Our experiments show that IFT performs comparably or even superiorly to SFT and some typical PO methods across several tasks, particularly those require generation, reasoning, and fact-following abilities. An explainable Frozen Lake game further validates the effectiveness of IFT for getting competitive policy.

cs.CL↗

arXiv2025

Fourier Position Embedding: Enhancing Attention's Periodic Extension for Length Generalization

Extending the context length of Language Models (LMs) by improving Rotary Position Embedding (RoPE) has become a trend. While prior works mainly address RoPE's limitations within attention, this paper uncovers the adverse effects on length generalization from nearly all parts of LMs. Using Discrete Signal Processing theory, we show that RoPE enables periodic attention by implicitly achieving Non-Uniform Discrete Fourier Transform. However, this periodicity is undermined by the spectrum damage caused by: 1) linear layers and activation functions; 2) insufficiently trained frequency components brought by time-domain truncation. Building on our observations, we propose Fourier Position Embedding (FoPE), which enhances attention's frequency-domain properties to improve both its periodic extension and length generalization. FoPE constructs \textit{Fourier Series} and zero-outs the destructive frequency components, increasing model robustness against the spectrum damage. Experiments across various model scales and benchmarks show that, within varying context windows, FoPE maintains a more stable performance compared to other baselines. Several analyses and ablations bring further support to our method and theoretical modeling.

cs.AI↗

arXiv2025

TTRL: Test-Time Reinforcement Learning

This paper investigates Reinforcement Learning (RL) on data without explicit labels for reasoning tasks in Large Language Models (LLMs). The core challenge of the problem is reward estimation during inference while not having access to ground-truth information. While this setting appears elusive, we find that common practices in Test-Time Scaling (TTS), such as majority voting, yield surprisingly effective rewards suitable for driving RL training. In this work, we introduce Test-Time Reinforcement Learning (TTRL), a novel method for training LLMs using RL on unlabeled data. TTRL enables self-evolution of LLMs by utilizing the priors in the pre-trained models. Our experiments demonstrate that TTRL consistently improves performance across a variety of tasks and models. Notably, TTRL boosts the pass@1 performance of Qwen-2.5-Math-7B by approximately 211% on the AIME 2024 with only unlabeled test data. Furthermore, although TTRL is only supervised by the maj@n metric, TTRL has demonstrated performance to consistently surpass the upper limit of the initial model maj@n, and approach the performance of models trained directly on test data with ground-truth labels. Our experimental findings validate the general effectiveness of TTRL across various tasks and highlight TTRL's potential for broader tasks and domains. GitHub: https://github.com/PRIME-RL/TTRL

cs.CL↗

arXiv2025

Graph Counselor: Adaptive Graph Exploration via Multi-Agent Synergy to Enhance LLM Reasoning

Graph Retrieval Augmented Generation (GraphRAG) effectively enhances external knowledge integration capabilities by explicitly modeling knowledge relationships, thereby improving the factual accuracy and generation quality of Large Language Models (LLMs) in specialized domains. However, existing methods suffer from two inherent limitations: 1) Inefficient Information Aggregation: They rely on a single agent and fixed iterative patterns, making it difficult to adaptively capture multi-level textual, structural, and degree information within graph data. 2) Rigid Reasoning Mechanism: They employ preset reasoning schemes, which cannot dynamically adjust reasoning depth nor achieve precise semantic correction. To overcome these limitations, we propose Graph Counselor, an GraphRAG method based on multi-agent collaboration. This method uses the Adaptive Graph Information Extraction Module (AGIEM), where Planning, Thought, and Execution Agents work together to precisely model complex graph structures and dynamically adjust information extraction strategies, addressing the challenges of multi-level dependency modeling and adaptive reasoning depth. Additionally, the Self-Reflection with Multiple Perspectives (SR) module improves the accuracy and semantic consistency of reasoning results through self-reflection and backward reasoning mechanisms. Experiments demonstrate that Graph Counselor outperforms existing methods in multiple graph reasoning tasks, exhibiting higher reasoning accuracy and generalization ability. Our code is available at https://github.com/gjq100/Graph-Counselor.git.

cs.AI↗

arXiv2025

Many Heads Are Better Than One: Improved Scientific Idea Generation by A LLM-Based Multi-Agent System

The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short of replicating the collaborative nature of real-world scientific practices, where diverse experts work together in teams to tackle complex problems. To address the limitations, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel scientific ideas. We further investigate the collaboration mechanisms that contribute to its tendency to produce ideas with higher novelty, offering valuable insights to guide future research and illuminating pathways toward building a robust system for autonomous scientific discovery. The code is available at https://github.com/open-sciencelab/Virtual-Scientists.

cs.AI↗

arXiv2025

GenPRM: Scaling Test-Time Compute of Process Reward Models via Generative Reasoning

Recent advancements in Large Language Models (LLMs) have shown that it is promising to utilize Process Reward Models (PRMs) as verifiers to enhance the performance of LLMs. However, current PRMs face three key challenges: (1) limited process supervision and generalization capabilities, (2) dependence on scalar value prediction without leveraging the generative abilities of LLMs, and (3) inability to scale the test-time compute of PRMs. In this work, we introduce GenPRM, a generative process reward model that performs explicit Chain-of-Thought (CoT) reasoning with code verification before providing judgment for each reasoning step. To obtain high-quality process supervision labels and rationale data, we propose Relative Progress Estimation (RPE) and a rationale synthesis framework that incorporates code verification. Experimental results on ProcessBench and several mathematical reasoning tasks show that GenPRM significantly outperforms prior PRMs with only 23K training data from MATH dataset. Through test-time scaling, a 1.5B GenPRM outperforms GPT-4o, and a 7B GenPRM surpasses Qwen2.5-Math-PRM-72B on ProcessBench. Additionally, GenPRM demonstrates strong abilities to serve as a critic model for policy model refinement. This work establishes a new paradigm for process supervision that bridges the gap between PRMs and critic models in LLMs. Our code, model, and data will be available in https://ryanliu112.github.io/GenPRM.

cs.CL↗

arXiv2025

Seeing Delta Parameters as JPEG Images: Data-Free Delta Compression with Discrete Cosine Transform

With transformer-based models and the pretrain-finetune paradigm becoming mainstream, the high storage and deployment costs of individual finetuned models on multiple tasks pose critical challenges. Delta compression attempts to lower the costs by reducing the redundancy of delta parameters (i.e., the difference between the finetuned and pre-trained model weights). However, existing methods usually face problems including data accessibility and training requirements. To tackle this issue, we introduce Delta-DCT, the first data-free delta compression method inspired by classic JPEG image compression, leveraging the Discrete Cosine Transform (DCT). We first (a) group delta parameters within a layer into patches. Then we (b) assess the importance of each patch and allocate them with different quantization bit-widths. Afterwards, we (c) convert these patches to the DCT domain and conduct quantization to each patch based on the allocated bit-width. The proposed Delta-DCT does not require any training or data calibration, while achieving performance comparable to or even surpassing original finetuned models under 1-bit equivalent delta compression ratios on different kinds of models including: (1) recently-released LLMs of different sizes from 7B to 13B, (2) relatively smaller language models including RoBERTa and T5 models, (3) variants of vision transformer models, and (4) multi-modal BEiT-3 models.

cs.CV↗

arXiv2025

Retrieval-Augmented Visual Question Answering via Built-in Autoregressive Search Engines

Retrieval-augmented generation (RAG) has emerged to address the knowledge-intensive visual question answering (VQA) task. Current methods mainly employ separate retrieval and generation modules to acquire external knowledge and generate answers, respectively. We propose ReAuSE, an alternative to the previous RAG model for the knowledge-based VQA task, which seamlessly integrates knowledge retriever into the generative multi-modal large language model, serving as a built-in search engine. Specifically, our model functions both as a generative retriever and an accurate answer generator. It not only helps retrieve documents from the knowledge base by producing identifiers for each document, but it also answers visual questions based on the retrieved documents. Furthermore, we propose a reinforced retrieval calibration module from relevance feedback to improve retrieval performance and align with the preferences for accurate answer generation. Extensive experiments on two representative OKVQA and A-OKVQA datasets demonstrate significant improvements ranging from 2.9\% to 9.6\% across all evaluation metrics when compared to strong baselines.

cs.CV↗

arXiv2025

Can 1B LLM Surpass 405B LLM? Rethinking Compute-Optimal Test-Time Scaling

Test-Time Scaling (TTS) is an important method for improving the performance of Large Language Models (LLMs) by using additional computation during the inference phase. However, current studies do not systematically analyze how policy models, Process Reward Models (PRMs), and problem difficulty influence TTS. This lack of analysis limits the understanding and practical use of TTS methods. In this paper, we focus on two core questions: (1) What is the optimal approach to scale test-time computation across different policy models, PRMs, and problem difficulty levels? (2) To what extent can extended computation improve the performance of LLMs on complex tasks, and can smaller language models outperform larger ones through this approach? Through comprehensive experiments on MATH-500 and challenging AIME24 tasks, we have the following observations: (1) The compute-optimal TTS strategy is highly dependent on the choice of policy model, PRM, and problem difficulty. (2) With our compute-optimal TTS strategy, extremely small policy models can outperform larger models. For example, a 1B LLM can exceed a 405B LLM on MATH-500. Moreover, on both MATH-500 and AIME24, a 0.5B LLM outperforms GPT-4o, a 3B LLM surpasses a 405B LLM, and a 7B LLM beats o1 and DeepSeek-R1, while with higher inference efficiency. These findings show the significance of adapting TTS strategies to the specific characteristics of each task and model and indicate that TTS is a promising approach for enhancing the reasoning abilities of LLMs.

cs.CL↗

arXiv2024

Fast and Slow Gradient Approximation for Binary Neural Network Optimization

Binary Neural Networks (BNNs) have garnered significant attention due to their immense potential for deployment on edge devices. However, the non-differentiability of the quantization function poses a challenge for the optimization of BNNs, as its derivative cannot be backpropagated. To address this issue, hypernetwork based methods, which utilize neural networks to learn the gradients of non-differentiable quantization functions, have emerged as a promising approach due to their adaptive learning capabilities to reduce estimation errors. However, existing hypernetwork based methods typically rely solely on current gradient information, neglecting the influence of historical gradients. This oversight can lead to accumulated gradient errors when calculating gradient momentum during optimization. To incorporate historical gradient information, we design a Historical Gradient Storage (HGS) module, which models the historical gradient sequence to generate the first-order momentum required for optimization. To further enhance gradient generation in hypernetworks, we propose a Fast and Slow Gradient Generation (FSG) method. Additionally, to produce more precise gradients, we introduce Layer Recognition Embeddings (LRE) into the hypernetwork, facilitating the generation of layer-specific fine gradients. Extensive comparative experiments on the CIFAR-10 and CIFAR-100 datasets demonstrate that our method achieves faster convergence and lower loss values, outperforming existing baselines.Code is available at http://github.com/two-tiger/FSG .

cs.LG↗