Victor
Abstract:De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (Peptide Mass Deviation) and RMD (residual Mass Deviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.
Abstract:Background: Accurate assessment of metastatic burden in axillary lymph nodes is crucial for guiding breast cancer treatment decisions, yet conventional imaging modalities struggle to differentiate metastatic burden levels and capture comprehensive lymph node characteristics. This study leverages dual-energy computed tomography (DECT) to exploit spectral-spatial information for improved multi-class classification. Purpose: To develop a noninvasive DECT-based model classifying sentinel lymph nodes into three categories: no metastasis ($N_0$), low metastatic burden ($N_{+(1-2)}$), and heavy metastatic burden ($N_{+(\geq3)}$), thereby aiding therapeutic planning. Methods: We propose a novel space-squeeze method combining two innovations: (1) a channel-wise attention mechanism to compress and recalibrate spectral-spatial features across 11 energy levels, and (2) virtual class injection to sharpen inter-class boundaries and compact intra-class variations in the representation space. Results: Evaluated on 227 biopsy-confirmed cases, our method achieved an average test AUC of 0.86 (95% CI: 0.80-0.91) across three cross-validation folds, outperforming established CNNs (VGG, ResNet, etc). The channel-wise attention and virtual class components individually improved AUC by 5.01% and 5.87%, respectively, demonstrating complementary benefits. Conclusions: The proposed framework enhances diagnostic AUC by effectively integrating DECT's spectral-spatial data and mitigating class ambiguity, offering a promising tool for noninvasive metastatic burden assessment in clinical practice.
Abstract:As Large Language Models (LLMs) rapidly advance, we introduce Hunyuan-TurboS, a novel large hybrid Transformer-Mamba Mixture of Experts (MoE) model. It synergistically combines Mamba's long-sequence processing efficiency with Transformer's superior contextual understanding. Hunyuan-TurboS features an adaptive long-short chain-of-thought (CoT) mechanism, dynamically switching between rapid responses for simple queries and deep "thinking" modes for complex problems, optimizing computational resources. Architecturally, this 56B activated (560B total) parameter model employs 128 layers (Mamba2, Attention, FFN) with an innovative AMF/MF block pattern. Faster Mamba2 ensures linear complexity, Grouped-Query Attention minimizes KV cache, and FFNs use an MoE structure. Pre-trained on 16T high-quality tokens, it supports a 256K context length and is the first industry-deployed large-scale Mamba model. Our comprehensive post-training strategy enhances capabilities via Supervised Fine-Tuning (3M instructions), a novel Adaptive Long-short CoT Fusion method, Multi-round Deliberation Learning for iterative improvement, and a two-stage Large-scale Reinforcement Learning process targeting STEM and general instruction-following. Evaluations show strong performance: overall top 7 rank on LMSYS Chatbot Arena with a score of 1356, outperforming leading models like Gemini-2.0-Flash-001 (1352) and o4-mini-2025-04-16 (1345). TurboS also achieves an average of 77.9% across 23 automated benchmarks. Hunyuan-TurboS balances high performance and efficiency, offering substantial capabilities at lower inference costs than many reasoning models, establishing a new paradigm for efficient large-scale pre-trained models.
Abstract:Tokenization is the first - and often underappreciated - layer of computation in language models. While Chain-of-Thought (CoT) prompting enables transformer models to approximate recurrent computation by externalizing intermediate steps, we show that the success of such reasoning is fundamentally bounded by the structure of tokenized inputs. This work presents a theoretical and empirical investigation into how tokenization schemes, particularly subword-based methods like byte-pair encoding (BPE), impede symbolic computation by merging or obscuring atomic reasoning units. We introduce the notion of Token Awareness to formalize how poor token granularity disrupts logical alignment and prevents models from generalizing symbolic procedures. Through systematic evaluation on arithmetic and symbolic tasks, we demonstrate that token structure dramatically affect reasoning performance, causing failure even with CoT, while atomically-aligned formats unlock strong generalization, allowing small models (e.g., GPT-4o-mini) to outperform larger systems (e.g., o1) in structured reasoning. Our findings reveal that symbolic reasoning ability in LLMs is not purely architectural, but deeply conditioned on token-level representations.
Abstract:We present Lay-Your-Scene (shorthand LayouSyn), a novel text-to-layout generation pipeline for natural scenes. Prior scene layout generation methods are either closed-vocabulary or use proprietary large language models for open-vocabulary generation, limiting their modeling capabilities and broader applicability in controllable image generation. In this work, we propose to use lightweight open-source language models to obtain scene elements from text prompts and a novel aspect-aware diffusion Transformer architecture trained in an open-vocabulary manner for conditional layout generation. Extensive experiments demonstrate that LayouSyn outperforms existing methods and achieves state-of-the-art performance on challenging spatial and numerical reasoning benchmarks. Additionally, we present two applications of LayouSyn. First, we show that coarse initialization from large language models can be seamlessly combined with our method to achieve better results. Second, we present a pipeline for adding objects to images, demonstrating the potential of LayouSyn in image editing applications.
Abstract:Dexterous manipulation has seen remarkable progress in recent years, with policies capable of executing many complex and contact-rich tasks in simulation. However, transferring these policies from simulation to real world remains a significant challenge. One important issue is the mismatch in low-level controller dynamics, where identical trajectories can lead to vastly different contact forces and behaviors when control parameters vary. Existing approaches often rely on manual tuning or controller randomization, which can be labor-intensive, task-specific, and introduce significant training difficulty. In this work, we propose a framework that jointly learns actions and controller parameters based on the historical information of both trajectory and controller. This adaptive controller adjustment mechanism allows the policy to automatically tune control parameters during execution, thereby mitigating the sim-to-real gap without extensive manual tuning or excessive randomization. Moreover, by explicitly providing controller parameters as part of the observation, our approach facilitates better reasoning over force interactions and improves robustness in real-world scenarios. Experimental results demonstrate that our method achieves improved transfer performance across a variety of dexterous tasks involving variable force conditions.
Abstract:The internet is undergoing a historical transformation from the "Internet of Websites" to the "Internet of AgentSites." While traditional Websites served as the foundation for information hosting and dissemination, a new frontier is emerging where AgentSites serve as the hubs of the internet, where each AgentSite hosts one or more AI agents that receive tasks, address them, and deliver actionable solutions, marking a significant shift in the digital landscape and representing the next generation of online ecosystems. Under this vision, AIOS, the AI Agent Operating System, serves as the server for the development, deployment and execution of AI agents, which is a fundamental infrastructure for the Internet of Agentsites. In this paper, we introduce AIOS Server, a runtime framework to host agents and enable global-scale collaboration among decentralized agents. AIOS Server provides a communication protocol leveraging the Model Context Protocol (MCP) and JSON-RPC to enable agent-agent or human-agent interactions. Each AIOS node operates as a server to host and execute agents, while supporting peer-to-peer coordination without reliance on centralized orchestration. Based on AIOS Server, we further present the world's first practically deployed Internet of Agentsites (AIOS-IoA), including AgentHub for agent registration and discovery and AgentChat for interactive communication, at https://planet.aios.foundation. The agent discovery mechanism based on Distributed Hash Tables (DHT) and a Gossip protocol serves as the search engine for the internet of agentsites. This work provides a practical foundation for building the Internet of Agentsites-a new paradigm where autonomous agents become first-class citizens of the web. The implementation is available at https://github.com/agiresearch/AIOS.Server and will be integrated into the AIOS main branch at https://github.com/agiresearch/AIOS.
Abstract:Retrieval-augmented generation (RAG) has emerged as a foundational paradigm for knowledge-grounded text generation. However, existing RAG pipelines often fail to ensure that the reasoning trajectories align with the evidential constraints imposed by retrieved content. In this paper, we reframe RAG as a problem of retrieval-aware reasoning and identify a core challenge: reasoning misalignment-the mismatch between a model's reasoning trajectory and the retrieved evidence. To address this challenge, we propose AlignRAG, a novel test-time framework that mitigates reasoning misalignment through iterative Critique-Driven Alignment (CDA) steps. In contrast to prior approaches that rely on static training or post-hoc selection, AlignRAG actively refines reasoning trajectories during inference by enforcing fine-grained alignment with evidence. Our framework introduces a new paradigm for retrieval-aware reasoning by: (1) constructing context-rich training corpora; (2) generating contrastive critiques from preference-aware reasoning trajectories; (3) training a dedicated \textit{Critic Language Model (CLM)} to identify reasoning misalignments; and (4) applying CDA steps to optimize reasoning trajectories iteratively. Empirical results demonstrate that AlignRAG consistently outperforms all baselines and could integrate as a plug-and-play module into existing RAG pipelines without further changes. By reconceptualizing RAG as a structured reasoning trajectory and establishing the test-time framework for correcting reasoning misalignments in RAG, AlignRAG provides practical advancements for retrieval-aware generation.
Abstract:Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, or add tool demonstrations into the prompt with lower efficiency. In this paper, we present a new Tool Learning method Chain-of-Tools. It makes full use of the powerful semantic representation capability of frozen LLMs to finish tool calling in CoT reasoning with a huge and flexible tool pool which may contain unseen tools. Especially, to validate the effectiveness of our approach in the massive unseen tool scenario, we construct a new dataset SimpleToolQuestions. We conduct experiments on two numerical reasoning benchmarks (GSM8K-XL and FuncQA) and two knowledge-based question answering benchmarks (KAMEL and SimpleToolQuestions). Experimental results show that our approach performs better than the baseline. We also identify dimensions of the model output that are critical in tool selection, enhancing the model interpretability. Our code and data are available at: https://github.com/fairyshine/Chain-of-Tools .
Abstract:Despite the remarkable successes of Large Language Models (LLMs), their fundamental Transformer architecture possesses inherent theoretical limitations that restrict their capability to handle reasoning tasks with increasing computational complexity. Chain-of-Thought (CoT) prompting has emerged as a practical solution, supported by several theoretical studies. However, current CoT-based methods (including ToT, GoT, etc.) generally adopt a "one-prompt-fits-all" strategy, using fixed templates (e.g., "think step by step") across diverse reasoning tasks. This method forces models to navigate an extremely complex prompt space to identify effective reasoning paths. The current prompt designing research are also heavily relying on trial-and-error rather than theoretically informed guidance. In this paper, we provide a rigorous theoretical analysis of the complexity and interplay between two crucial spaces: the prompt space (the space of potential prompt structures) and the answer space (the space of reasoning solutions generated by LLMs) in CoT reasoning. We demonstrate how reliance on a single universal prompt (e.g. think step by step) can negatively impact the theoretical computability of LLMs, illustrating that prompt complexity directly influences the structure and effectiveness of the navigation in answer space. Our analysis highlights that sometimes human supervision is critical for efficiently navigating the prompt space. We theoretically and empirically show that task-specific prompting significantly outperforms unsupervised prompt generation, emphasizing the necessity of thoughtful human guidance in CoT prompting.