Recent advancements in large language models (LLMs) have significantly improved various natural language processing (NLP) tasks. Typically, LLMs are trained to predict the next token, aligning well with many NLP tasks. However, in knowledge graph (KG) scenarios, entities are the fundamental units and identifying an entity requires at least several tokens. This leads to a granularity mismatch between KGs and natural languages. To address this issue, we propose K-ON, which integrates KG knowledge into the LLM by employing multiple head layers for next k-step prediction. K-ON can not only generate entity-level results in one step, but also enables contrastive loss against entities, which is the most powerful tool in KG representation learning. Experimental results show that K-ON outperforms state-of-the-art methods that incorporate text and even the other modalities.
Vision Large Language Models (VLLMs) integrate visual data processing, expanding their real-world applications, but also increasing the risk of generating unsafe responses. In response, leading companies have implemented Multi-Layered safety defenses, including alignment training, safety system prompts, and content moderation. However, their effectiveness against sophisticated adversarial attacks remains largely unexplored. In this paper, we propose MultiFaceted Attack, a novel attack framework designed to systematically bypass Multi-Layered Defenses in VLLMs. It comprises three complementary attack facets: Visual Attack that exploits the multimodal nature of VLLMs to inject toxic system prompts through images; Alignment Breaking Attack that manipulates the model's alignment mechanism to prioritize the generation of contrasting responses; and Adversarial Signature that deceives content moderators by strategically placing misleading information at the end of the response. Extensive evaluations on eight commercial VLLMs in a black-box setting demonstrate that MultiFaceted Attack achieves a 61.56% attack success rate, surpassing state-of-the-art methods by at least 42.18%.
Urban digital twins are virtual replicas of cities that use multi-source data and data analytics to optimize urban planning, infrastructure management, and decision-making. Towards this, we propose a framework focused on the single-building scale. By connecting to cloud mapping platforms such as Google Map Platforms APIs, by leveraging state-of-the-art multi-agent Large Language Models data analysis using ChatGPT(4o) and Deepseek-V3/R1, and by using our Gaussian Splatting-based mesh extraction pipeline, our Digital Twin Buildings framework can retrieve a building's 3D model, visual descriptions, and achieve cloud-based mapping integration with large language model-based data analytics using a building's address, postal code, or geographic coordinates.
We introduce Goedel-Prover, an open-source large language model (LLM) that achieves the state-of-the-art (SOTA) performance in automated formal proof generation for mathematical problems. The key challenge in this field is the scarcity of formalized math statements and proofs, which we tackle in the following ways. We train statement formalizers to translate the natural language math problems from Numina into formal language (Lean 4), creating a dataset of 1.64 million formal statements. LLMs are used to check that the formal statements accurately preserve the content of the original natural language problems. We then iteratively build a large dataset of formal proofs by training a series of provers. Each prover succeeds in proving many statements that the previous ones could not, and these new proofs are added to the training set for the next prover. The final prover outperforms all existing open-source models in whole-proof generation. On the miniF2F benchmark, it achieves a 57.6% success rate (Pass@32), exceeding the previous best open-source model by 7.6%. On PutnamBench, Goedel-Prover successfully solves 7 problems (Pass@512), ranking first on the leaderboard. Furthermore, it generates 29.7K formal proofs for Lean Workbook problems, nearly doubling the 15.7K produced by earlier works.
Large reasoning models (LRMs) tackle complex reasoning problems by following long chain-of-thoughts (Long CoT) that incorporate reflection, backtracking, and self-validation. However, the training techniques and data requirements to elicit Long CoT remain poorly understood. In this work, we find that a Large Language model (LLM) can effectively learn Long CoT reasoning through data-efficient supervised fine-tuning (SFT) and parameter-efficient low-rank adaptation (LoRA). With just 17k long CoT training samples, the Qwen2.5-32B-Instruct model achieves significant improvements on a wide range of math and coding benchmarks, including 56.7% (+40.0%) on AIME 2024 and 57.0% (+8.1%) on LiveCodeBench, competitive to the proprietary o1-preview model's score of 44.6% and 59.1%. More importantly, we find that the structure of Long CoT is critical to the learning process, whereas the content of individual reasoning steps has minimal impact. Perturbations affecting content, such as training on incorrect samples or removing reasoning keywords, have little impact on performance. In contrast, structural modifications that disrupt logical consistency in the Long CoT, such as shuffling or deleting reasoning steps, significantly degrade accuracy. For example, a model trained on Long CoT samples with incorrect answers still achieves only 3.2% lower accuracy compared to training with fully correct samples. These insights deepen our understanding of how to elicit reasoning capabilities in LLMs and highlight key considerations for efficiently training the next generation of reasoning models. This is the academic paper of our previous released Sky-T1-32B-Preview model. Codes are available at https://github.com/NovaSky-AI/SkyThought.
This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.
Large Language Models (LLMs) have been integrated into recommendation systems to enhance user behavior comprehension. The Retrieval Augmented Generation (RAG) technique is further incorporated into these systems to retrieve more relevant items and improve system performance. However, existing RAG methods rely primarily on textual semantics and often fail to incorporate the most relevant items, limiting the effectiveness of the systems. In this paper, we propose Representation learning for retrieval-Augmented Large Language model Recommendation (RALLRec). Specifically, we enhance textual semantics by prompting LLMs to generate more detailed item descriptions, followed by joint representation learning of textual and collaborative semantics, which are extracted by the LLM and recommendation models, respectively. Considering the potential time-varying characteristics of user interest, a simple yet effective reranking method is further introduced to capture the dynamics of user preference. We conducted extensive experiments on three real-world datasets, and the evaluation results validated the effectiveness of our method. Code is made public at https://github.com/JianXu95/RALLRec.
Stock movement prediction, a critical task in financial time-series forecasting, relies on identifying and retrieving key influencing factors from vast and complex datasets. However, traditional text-trained or numeric similarity-based retrieval methods often struggle to handle the intricacies of financial data. To address this, we propose the first retrieval-augmented generation (RAG) framework specifically designed for financial time-series forecasting. Our framework incorporates three key innovations: a fine-tuned 1B large language model (StockLLM) as its backbone, a novel candidate selection method enhanced by LLM feedback, and a training objective that maximizes the similarity between queries and historically significant sequences. These advancements enable our retriever, FinSeer, to uncover meaningful patterns while effectively minimizing noise in complex financial datasets. To support robust evaluation, we also construct new datasets that integrate financial indicators and historical stock prices. Experimental results demonstrate that our RAG framework outperforms both the baseline StockLLM and random retrieval methods, showcasing its effectiveness. FinSeer, as the retriever, achieves an 8% higher accuracy on the BIGDATA22 benchmark and retrieves more impactful sequences compared to existing retrieval methods. This work highlights the importance of tailored retrieval models in financial forecasting and provides a novel, scalable framework for future research in the field.
Structured neuron encapsulation introduces a modular framework that enables more effective aggregation and specialization of information within deep learning architectures. A model modified through this framework demonstrated improved perplexity scores, greater lexical variability, and enhanced consistency in logical reasoning, suggesting that structured parameter distribution contributes to more efficient language representation. Statistical analyses of generated text highlighted a wider range of sentence structures and reduced redundancy in token selection, indicating that encapsulation fosters more adaptable language generation. A detailed evaluation of attention weight distributions revealed that the experimental model exhibited greater divergence in cross-layer activations, supporting the hypothesis that encapsulated neurons assume specialized processing roles. Logical consistency assessments further demonstrated that modular architectures mitigate contradictory outputs, reducing internal conflicts in inferred relationships between linguistic constructs. Computational trade-offs were analyzed, with results showing a minor increase in processing overhead, though improvements in parameter efficiency and structured decision-making compensated for the additional complexity. The mathematical formulation of the encapsulation mechanism confirmed that modular aggregation maintains stable convergence properties while promoting distinct functional roles for different neuron clusters.
Achieving balanced alignment of large language models (LLMs) in terms of Helpfulness, Honesty, and Harmlessness (3H optimization) constitutes a cornerstone of responsible AI. Existing methods like data mixture strategies face limitations, including heavy reliance on expert knowledge and conflicting optimization signals. While model merging offers parameter-level conflict-resolution strategies through integrating specialized models' parameters, its potential for 3H optimization remains underexplored. This paper systematically compares the effectiveness of model merging and data mixture methods in constructing 3H-aligned LLMs for the first time, revealing previously overlooked collaborative and conflict relationships among the 3H dimensions and discussing the advantages and drawbacks of data mixture (\textit{data-level}) and model merging (\textit{parameter-level}) methods in mitigating the conflict for balanced 3H optimization. Specially, we propose a novel \textbf{R}eweighting \textbf{E}nhanced task \textbf{S}ingular \textbf{M}erging method, \textbf{RESM}, through outlier weighting and sparsity-aware rank selection strategies to address the challenges of preference noise accumulation and layer sparsity adaptation inherent in 3H-aligned LLM merging. Extensive evaluations can verify the effectiveness and robustness of RESM compared to previous data mixture (2\%-5\% gain) and model merging (1\%-3\% gain) methods in achieving balanced LLM alignment. We release our models through \href{https://huggingface.co/Jinluan}{3H\_Merging} for further investigations.
Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug optimization LLM-based generative model, enhancing the original drug across target objectives, while retains the beneficial chemical properties of the original drug. This work is comprised of two primary components: (1) DrugImprover: A framework tailored for improving robustness and efficiency in drug optimization. It includes a LLM designed for drug optimization and a novel Structured Policy Optimization (SPO) algorithm, which is theoretically grounded. This algorithm offers a unique perspective for fine-tuning the LLM-based generative model by aligning the improvement of the generated molecule with the input molecule under desired objectives. (2) A dataset of 1 million compounds, each with OEDOCK docking scores on 5 human proteins associated with cancer cells and 24 binding sites from SARS-CoV-2 virus. We conduct a comprehensive evaluation of SPO and demonstrate its effectiveness in improving the original drug across target properties. Our code and dataset will be publicly available at: https://github.com/xuefeng-cs/DrugImproverGPT.
Large Language Model (LLM) inference, where a trained model generates text one word at a time in response to user prompts, is a computationally intensive process requiring efficient scheduling to optimize latency and resource utilization. A key challenge in LLM inference is the management of the Key-Value (KV) cache, which reduces redundant computations but introduces memory constraints. In this work, we model LLM inference with KV cache constraints theoretically and propose a novel batching and scheduling algorithm that minimizes inference latency while effectively managing the KV cache's memory. More specifically, we make the following contributions. First, to evaluate the performance of online algorithms for scheduling in LLM inference, we introduce a hindsight optimal benchmark, formulated as an integer program that computes the minimum total inference latency under full future information. Second, we prove that no deterministic online algorithm can achieve a constant competitive ratio when the arrival process is arbitrary. Third, motivated by the computational intractability of solving the integer program at scale, we propose a polynomial-time online scheduling algorithm and show that under certain conditions it can achieve a constant competitive ratio. We also demonstrate our algorithm's strong empirical performance by comparing it to the hindsight optimal in a synthetic dataset. Finally, we conduct empirical evaluations on a real-world public LLM inference dataset, simulating the Llama2-70B model on A100 GPUs, and show that our algorithm significantly outperforms the benchmark algorithms. Overall, our results offer a path toward more sustainable and cost-effective LLM deployment.
Drug optimization has become increasingly crucial in light of fast-mutating virus strains and drug-resistant cancer cells. Nevertheless, it remains challenging as it necessitates retaining the beneficial properties of the original drug while simultaneously enhancing desired attributes beyond its scope. In this work, we aim to tackle this challenge by introducing ScaffoldGPT, a novel Generative Pretrained Transformer (GPT) designed for drug optimization based on molecular scaffolds. Our work comprises three key components: (1) A three-stage drug optimization approach that integrates pretraining, finetuning, and decoding optimization. (2) A uniquely designed two-phase incremental training approach for pre-training the drug optimization GPT on molecule scaffold with enhanced performance. (3) A token-level decoding optimization strategy, TOP-N, that enabling controlled, reward-guided generation using pretrained/finetuned GPT. We demonstrate via a comprehensive evaluation on COVID and cancer benchmarks that ScaffoldGPT outperforms the competing baselines in drug optimization benchmarks, while excelling in preserving original functional scaffold and enhancing desired properties.
Motivation: Proteins are of great significance in living organisms. However, understanding their functions encounters numerous challenges, such as insufficient integration of multimodal information, a large number of training parameters, limited flexibility of classification-based methods, and the lack of systematic evaluation metrics for protein Q&A systems. To tackle these issues, we propose the Prot2Chat framework. Results: We modified ProteinMPNN to encode protein sequence and structural information in a unified way. We used a large language model (LLM) to encode questions into vectors and developed a protein-text adapter to compress protein information into virtual tokens based on these vectors, achieving the early fusion of text and protein information. Finally, the same LLM reads the virtual tokens and the questions to generate answers. To optimize training efficiency, we froze the encoder and employed Low-Rank Adaptation (LoRA) techniques for the LLM. Experiments on two datasets show that both automated metrics and expert evaluations demonstrate the superior performance of our model, and zero-shot prediction results highlight its generalization ability. The models and codes are available at https://github.com/ wangzc1233/Prot2Chat. Contact: [email omitted] or [email omitted] Key words: Protein Q&A, Early-Fusion, LLM
We introduce JamendoMaxCaps, a large-scale music-caption dataset featuring over 362,000 freely licensed instrumental tracks from the renowned Jamendo platform. The dataset includes captions generated by a state-of-the-art captioning model, enhanced with imputed metadata. We also introduce a retrieval system that leverages both musical features and metadata to identify similar songs, which are then used to fill in missing metadata using a local large language model (LLLM). This approach allows us to provide a more comprehensive and informative dataset for researchers working on music-language understanding tasks. We validate this approach quantitatively with five different measurements. By making the JamendoMaxCaps dataset publicly available, we provide a high-quality resource to advance research in music-language understanding tasks such as music retrieval, multimodal representation learning, and generative music models.
Recently, large language model (LLM) based text-to-speech (TTS) systems have gradually become the mainstream in the industry due to their high naturalness and powerful zero-shot voice cloning capabilities.Here, we introduce the IndexTTS system, which is mainly based on the XTTS and Tortoise model. We add some novel improvements. Specifically, in Chinese scenarios, we adopt a hybrid modeling method that combines characters and pinyin, making the pronunciations of polyphonic characters and long-tail characters controllable. We also performed a comparative analysis of the Vector Quantization (VQ) with Finite-Scalar Quantization (FSQ) for codebook utilization of acoustic speech tokens. To further enhance the effect and stability of voice cloning, we introduce a conformer-based speech conditional encoder and replace the speechcode decoder with BigVGAN2. Compared with XTTS, it has achieved significant improvements in naturalness, content consistency, and zero-shot voice cloning. As for the popular TTS systems in the open-source, such as Fish-Speech, CosyVoice2, FireRedTTS and F5-TTS, IndexTTS has a relatively simple training process, more controllable usage, and faster inference speed. Moreover, its performance surpasses that of these systems. Our demos are available at https://index-tts.github.io.
Effective asynchronous planning, or the ability to efficiently reason and plan over states and actions that must happen in parallel or sequentially, is essential for agents that must account for time delays, reason over diverse long-horizon tasks, and collaborate with other agents. While large language model (LLM) agents show promise in high-level task planning, current benchmarks focus primarily on short-horizon tasks and do not evaluate such asynchronous planning capabilities. We introduce Robotouille, a challenging benchmark environment designed to test LLM agents' ability to handle long-horizon asynchronous scenarios. Our synchronous and asynchronous datasets capture increasingly complex planning challenges that go beyond existing benchmarks, requiring agents to manage overlapping tasks and interruptions. Our results show that ReAct (gpt4-o) achieves 47% on synchronous tasks but only 11% on asynchronous tasks, highlighting significant room for improvement. We further analyze failure modes, demonstrating the need for LLM agents to better incorporate long-horizon feedback and self-audit their reasoning during task execution. Code is available at https://github.com/portal-cornell/robotouille.
The past two years have witnessed the evolution of large language model (LLM)-based multi-agent systems from labor-intensive manual design to partial automation (\textit{e.g.}, prompt engineering, communication topology) and eventually to fully automated design. However, existing agentic automation pipelines often lack LLM heterogeneity and focus on single-objective performance optimization, limiting their potential to combine weaker models for more customized and cost-effective solutions. To address this challenge, we propose EvoFlow, a niching evolutionary algorithm-based framework to automatically search a population of heterogeneous and complexity-adaptive agentic workflows, rather than a single homogeneous, complex workflow. Technically, EvoFlow performs \textit{(1) tag-based retrieval} to extract parent workflows from an agentic population, evolves new workflows through \textit{(2) crossover} and \textit{(3) mutation}, and employs \textit{(4) niching-based selection} to maintain population diversity and quality. Extensive evaluations across seven benchmarks demonstrate that EvoFlow is: \textbf{(I) diverse}, evolving a population of workflows ranging from simple I/O tasks to complex multi-turn interactions; \textbf{(II) high-performing}, outperforming previous handcrafted and automated workflows by $1.23\%\sim29.86\%$; \textbf{(III) economical}, surpassing powerful \llmname{o1-preview} at $12.4\%$ of its inference cost using weaker open-source models.
Traditional autonomous driving systems often struggle with reasoning in complex, unexpected scenarios due to limited comprehension of spatial relationships. In response, this study introduces a Large Language Model (LLM)-based Autonomous Driving (AD) assistance system that integrates a vision adapter and an LLM reasoning module to enhance visual understanding and decision-making. The vision adapter, combining YOLOv4 and Vision Transformer (ViT), extracts comprehensive visual features, while GPT-4 enables human-like spatial reasoning and response generation. Experimental evaluations with 45 experienced drivers revealed that the system closely mirrors human performance in describing situations and moderately aligns with human decisions in generating appropriate responses.
We introduce a framework for generating Chain-of-Thought (CoT) rationales to enhance text-to-SQL model fine-tuning. These rationales consist of intermediate SQL statements and explanations, serving as incremental steps toward constructing the final SQL query. The process begins with manually annotating a small set of examples, which are then used to prompt a large language model in an iterative, dynamic few-shot knowledge distillation procedure from a teacher model. A rationalization model is subsequently trained on the validated decomposed queries, enabling extensive synthetic CoT annotations for text-to-SQL datasets. To evaluate the approach, we fine-tune small language models with and without these rationales on the BIRD dataset. Results indicate that step-by-step query generation improves execution accuracy, especially for moderately and highly complex queries, while also enhancing explainability.