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.
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.
The rapid advancement of speech generation technologies in the era of large language models (LLMs) has established discrete speech tokens as a foundational paradigm for speech representation. These tokens, characterized by their discrete, compact, and concise nature, are not only advantageous for efficient transmission and storage, but also inherently compatible with the language modeling framework, enabling seamless integration of speech into text-dominated LLM architectures. Current research categorizes discrete speech tokens into two principal classes: acoustic tokens and semantic tokens, each of which has evolved into a rich research domain characterized by unique design philosophies and methodological approaches. This survey systematically synthesizes the existing taxonomy and recent innovations in discrete speech tokenization, conducts a critical examination of the strengths and limitations of each paradigm, and presents systematic experimental comparisons across token types. Furthermore, we identify persistent challenges in the field and propose potential research directions, aiming to offer actionable insights to inspire future advancements in the development and application of discrete speech tokens.
In AI-facilitated teaching, leveraging various query styles to interpret abstract text descriptions is crucial for ensuring high-quality teaching. However, current retrieval models primarily focus on natural text-image retrieval, making them insufficiently tailored to educational scenarios due to the ambiguities in the retrieval process. In this paper, we propose a diverse expression retrieval task tailored to educational scenarios, supporting retrieval based on multiple query styles and expressions. We introduce the STEM Education Retrieval Dataset (SER), which contains over 24,000 query pairs of different styles, and the Uni-Retrieval, an efficient and style-diversified retrieval vision-language model based on prompt tuning. Uni-Retrieval extracts query style features as prototypes and builds a continuously updated Prompt Bank containing prompt tokens for diverse queries. This bank can updated during test time to represent domain-specific knowledge for different subject retrieval scenarios. Our framework demonstrates scalability and robustness by dynamically retrieving prompt tokens based on prototype similarity, effectively facilitating learning for unknown queries. Experimental results indicate that Uni-Retrieval outperforms existing retrieval models in most retrieval tasks. This advancement provides a scalable and precise solution for diverse educational needs.
Enabling robots to perform diverse tasks across varied environments is a central challenge in robot learning. While vision-language-action (VLA) models have shown promise for generalizable robot skills, realizing their full potential requires addressing limitations in action representation and efficient training. Current VLA models often focus on scaling the vision-language model (VLM) component, while the action space representation remains a critical bottleneck. This paper introduces DexVLA, a novel framework designed to enhance the efficiency and generalization capabilities of VLAs for complex, long-horizon tasks across diverse robot embodiments. DexVLA features a novel diffusion-based action expert, scaled to one billion parameters, designed for cross-embodiment learning. A novel embodiment curriculum learning strategy facilitates efficient training: (1) pre-training the diffusion expert that is separable from the VLA on cross-embodiment data, (2) aligning the VLA model to specific embodiments, and (3) post-training for rapid adaptation to new tasks. We conduct comprehensive experiments across multiple embodiments, including single-arm, bimanual, and dexterous hand, demonstrating DexVLA's adaptability to challenging tasks without task-specific adaptation, its ability to learn dexterous skills on novel embodiments with limited data, and its capacity to complete complex, long-horizon tasks using only direct language prompting, such as laundry folding. In all settings, our method demonstrates superior performance compared to state-of-the-art models like Octo, OpenVLA, and Diffusion Policy.
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.
Scaling automated formal verification to real-world projects requires resolving cross-module dependencies and global contexts, which are challenges overlooked by existing function-centric methods. We introduce RagVerus, a framework that synergizes retrieval-augmented generation with context-aware prompting to automate proof synthesis for multi-module repositories, achieving a 27% relative improvement on our novel RepoVBench benchmark -- the first repository-level dataset for Verus with 383 proof completion tasks. RagVerus triples proof pass rates on existing benchmarks under constrained language model budgets, demonstrating a scalable and sample-efficient verification.
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.
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.
Cancer surgery is a key treatment for gastrointestinal (GI) cancers, a group of cancers that account for more than 35% of cancer-related deaths worldwide, but postoperative complications are unpredictable and can be life-threatening. In this paper, we investigate how recent advancements in large language models (LLMs) can benefit remote patient monitoring (RPM) systems through clinical integration by designing RECOVER, an LLM-powered RPM system for postoperative GI cancer care. To closely engage stakeholders in the design process, we first conducted seven participatory design sessions with five clinical staff and interviewed five cancer patients to derive six major design strategies for integrating clinical guidelines and information needs into LLM-based RPM systems. We then designed and implemented RECOVER, which features an LLM-powered conversational agent for cancer patients and an interactive dashboard for clinical staff to enable efficient postoperative RPM. Finally, we used RECOVER as a pilot system to assess the implementation of our design strategies with four clinical staff and five patients, providing design implications by identifying crucial design elements, offering insights on responsible AI, and outlining opportunities for future LLM-powered RPM systems.
Prompt caching in large language models (LLMs) results in data-dependent timing variations: cached prompts are processed faster than non-cached prompts. These timing differences introduce the risk of side-channel timing attacks. For example, if the cache is shared across users, an attacker could identify cached prompts from fast API response times to learn information about other users' prompts. Because prompt caching may cause privacy leakage, transparency around the caching policies of API providers is important. To this end, we develop and conduct statistical audits to detect prompt caching in real-world LLM API providers. We detect global cache sharing across users in seven API providers, including OpenAI, resulting in potential privacy leakage about users' prompts. Timing variations due to prompt caching can also result in leakage of information about model architecture. Namely, we find evidence that OpenAI's embedding model is a decoder-only Transformer, which was previously not publicly known.
Large Language Models (LLMs) are discovered to suffer from accurately retrieving key information. To address this, we propose Mask-Enhanced Autoregressive Prediction (MEAP), a simple yet effective training paradigm that seamlessly integrates Masked Language Modeling (MLM) into Next-Token Prediction (NTP) to enhance the latter's in-context retrieval capabilities. Specifically, MEAP first randomly masks a small fraction of input tokens and then directly performs the standard next-token prediction autoregressive using a decoder-only Transformer. MEAP eliminates the need for bidirectional attention or encoder-decoder architectures for MLM, incurring no additional computational overhead during pre-training or inference. Intensive experiments demonstrate that MEAP substantially outperforms NTP on key information retrieval and long-context reasoning tasks, while performing on par or better on commonsense reasoning tasks. The benefits of MEAP also extend to supervised fine-tuning, where it shows remarkable advantages in lost-in-the-middle scenarios, outperforming NTP by 11.77 percentage points. Our analysis indicates that MEAP's effectiveness arises from its ability to promote more distinguishable attention scores by concentrating on a reduced set of non-masked tokens. This mechanism improves the model's focus on task-relevant signals while mitigating the influence of peripheral context. These findings position MEAP as a promising training paradigm for large language models.
Direct Alignment Algorithms (DAAs) offer a simpler way to language model alignment than traditional RLHF by directly optimizing policies. While DAAs differ in their use of SFT (one-stage vs. two-stage), the scalar scores within their objectives (likelihood vs. odds ratios), and ranking objectives (pairwise vs. pointwise), the critical factors for performance remain underexplored. We provide a systematic comparative analysis. We first show that one-stage methods (e.g. ORPO, ASFT) underperform compared to two-stage approaches. However, we demonstrate that adapting them to a two-stage setup with an explicit SFT phase can improve their performance. Further, introducing and tuning a unifying $\beta$ parameter within this two-stage framework boosts their performence (e.g., AlpacaEval 2: $+13.45$ ORPO, $+8.27$ ASFT), matching established methods like DPO and enabling fair comparisons. Our comprehensive analysis reveals that the choice between pairwise and pointwise objectives is the primary determinant of alignment success, rather than the specific scalar score (e.g., policy-reference ratio vs. odds ratio) employed. We provide empirical evidence suggesting this stems from how these objectives interact with prompt-specific biases. These findings underscore the need for nuanced evaluations in DAA research to avoid oversimplified claims of superiority.
The proliferation of Text-to-Image (T2I) models has revolutionized content creation, providing powerful tools for diverse applications ranging from artistic expression to educational material development and marketing. Despite these technological advancements, significant ethical concerns arise from these models' reliance on large-scale datasets that often contain inherent societal biases. These biases are further amplified when AI-generated content is included in training data, potentially reinforcing and perpetuating stereotypes in the generated outputs. In this paper, we introduce FairT2I, a novel framework that harnesses large language models to detect and mitigate social biases in T2I generation. Our framework comprises two key components: (1) an LLM-based bias detection module that identifies potential social biases in generated images based on text prompts, and (2) an attribute rebalancing module that fine-tunes sensitive attributes within the T2I model to mitigate identified biases. Our extensive experiments across various T2I models and datasets show that FairT2I can significantly reduce bias while maintaining high-quality image generation. We conducted both qualitative user studies and quantitative non-parametric analyses in the generated image feature space, building upon the occupational dataset introduced in the Stable Bias study. Our results show that FairT2I successfully mitigates social biases and enhances the diversity of sensitive attributes in generated images. We further demonstrate, using the P2 dataset, that our framework can detect subtle biases that are challenging for human observers to perceive, extending beyond occupation-related prompts. On the basis of these findings, we introduce a new benchmark dataset for evaluating bias in T2I models.
Unified multimodal large language models (U-MLLMs) have demonstrated impressive performance in visual understanding and generation in an end-to-end pipeline. Compared with generation-only models (e.g., Stable Diffusion), U-MLLMs may raise new questions about bias in their outputs, which can be affected by their unified capabilities. This gap is particularly concerning given the under-explored risk of propagating harmful stereotypes. In this paper, we benchmark the latest U-MLLMs and find that most exhibit significant demographic biases, such as gender and race bias. To better understand and mitigate this issue, we propose a locate-then-fix strategy, where we audit and show how the individual model component is affected by bias. Our analysis shows that bias originates primarily from the language model. More interestingly, we observe a "partial alignment" phenomenon in U-MLLMs, where understanding bias appears minimal, but generation bias remains substantial. Thus, we propose a novel balanced preference model to balance the demographic distribution with synthetic data. Experiments demonstrate that our approach reduces demographic bias while preserving semantic fidelity. We hope our findings underscore the need for more holistic interpretation and debiasing strategies of U-MLLMs in the future.
Recent advances in large language models (LLMs) have shown remarkable performance across diverse tasks. However, these models are typically deployed with fixed weights, which limits their ability to adapt dynamically to the variability inherent in real-world data during inference. This paper introduces ChamaleonLLM, a novel framework that enables inference-time adaptation of LLMs by leveraging batch-aware clustering and on-the-fly generation of low-rank updates. Unlike traditional fine-tuning approaches such as Low-Rank Adaptation (LoRA) or methods that rely on a fixed set of pre-learned uniforms (changeable masks), our method dynamically generates adaptive modifications to the decoder weights based on the aggregated statistics of clustered batches. By intelligently grouping similar inputs and computing context-aware low-rank updates via a hyper-network, ChamaleonLLM achieves significant performance gains, outperforming conventional LoRA methods while eliminating the overhead of maintaining multiple expert models. Our experiments highlight the potential of our approach to serve as a versatile and highly adaptive solution for language model inference. ChamaleonLLM is open-sourced to ensure the reproducibility of our experiments: https://anonymous.4open.science/r/ChamaleonLLM/