Large Language Model
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning
Lin, Xuan, Liu, Qingrui, Xiang, Hongxin, Zeng, Daojian, Zeng, Xiangxiang
Chemical reaction and retrosynthesis prediction are fundamental tasks in drug discovery. Recently, large language models (LLMs) have shown potential in many domains. However, directly applying LLMs to these tasks faces two major challenges: (i) lacking a large-scale chemical synthesis-related instruction dataset; (ii) ignoring the close correlation between reaction and retrosynthesis prediction for the existing fine-tuning strategies. To address these challenges, we propose ChemDual, a novel LLM framework for accurate chemical synthesis. Specifically, considering the high cost of data acquisition for reaction and retrosynthesis, ChemDual regards the reaction-and-retrosynthesis of molecules as a related recombination-and-fragmentation process and constructs a large-scale of 4.4 million instruction dataset. Furthermore, ChemDual introduces an enhanced LLaMA, equipped with a multi-scale tokenizer and dual-task learning strategy, to jointly optimize the process of recombination and fragmentation as well as the tasks between reaction and retrosynthesis prediction. Extensive experiments on Mol-Instruction and USPTO-50K datasets demonstrate that ChemDual achieves state-of-the-art performance in both predictions of reaction and retrosynthesis, outperforming the existing conventional single-task approaches and the general open-source LLMs. Through molecular docking analysis, ChemDual generates compounds with diverse and strong protein binding affinity, further highlighting its strong potential in drug design.
LLaMA-Omni2: LLM-based Real-time Spoken Chatbot with Autoregressive Streaming Speech Synthesis
Fang, Qingkai, Zhou, Yan, Guo, Shoutao, Zhang, Shaolei, Feng, Yang
Real-time, intelligent, and natural speech interaction is an essential part of the next-generation human-computer interaction. Recent advancements have showcased the potential of building intelligent spoken chatbots based on large language models (LLMs). In this paper, we introduce LLaMA-Omni 2, a series of speech language models (SpeechLMs) ranging from 0.5B to 14B parameters, capable of achieving high-quality real-time speech interaction. LLaMA-Omni 2 is built upon the Qwen2.5 series models, integrating a speech encoder and an autoregressive streaming speech decoder. Despite being trained on only 200K multi-turn speech dialogue samples, LLaMA-Omni 2 demonstrates strong performance on several spoken question answering and speech instruction following benchmarks, surpassing previous state-of-the-art SpeechLMs like GLM-4-Voice, which was trained on millions of hours of speech data.
Recursive Decomposition with Dependencies for Generic Divide-and-Conquer Reasoning
Hernรกndez-Gutiรฉrrez, Sergio, Alakuijala, Minttu, Nikitin, Alexander V., Marttinen, Pekka
Reasoning tasks are crucial in many domains, especially in science and engineering. Although large language models (LLMs) have made progress in reasoning tasks using techniques such as chain-of-thought and least-to-most prompting, these approaches still do not effectively scale to complex problems in either their performance or execution time. Moreover, they often require additional supervision for each new task, such as in-context examples. In this work, we introduce Recursive Decomposition with Dependencies (RDD), a scalable divide-and-conquer method for solving reasoning problems that requires less supervision than prior approaches. Our method can be directly applied to a new problem class even in the absence of any task-specific guidance. Furthermore, RDD supports sub-task dependencies, allowing for ordered execution of sub-tasks, as well as an error recovery mechanism that can correct mistakes made in previous steps. We evaluate our approach on two benchmarks with six difficulty levels each and in two in-context settings: one with task-specific examples and one without. Our results demonstrate that RDD outperforms other methods in a compute-matched setting as task complexity increases, while also being more computationally efficient.
Large Language Model Partitioning for Low-Latency Inference at the Edge
Kafetzis, Dimitrios, Khalili, Ramin, Koutsopoulos, Iordanis
--Large Language Models (LLMs) based on autore-gressive, decoder-only Transformers generate text one token at a time, where a token represents a discrete unit of text. As each newly produced token is appended to the partial output sequence, the length grows and so does the memory and compute load, due to the expanding key-value (K/V) caches--which store intermediate representations of all previously generated tokens--in the multi-head attention (MHA) layer . As this iterative process steadily increases memory and compute demands, layer-based partitioning in resource-constrained edge environments often results in memory overload or high inference latency. T o address this, aiming to reduce inference latency, we propose a resource-aware Transformer architecture partitioning algorithm, where the partitioning decision is updated at regular intervals during token generation. The approach is a myopic algorithm in the sense that it is based on instantaneously available information about device resources availability and network link bandwidths. When the algorithm is first executed, it generates a placement of blocks on devices, and in each consecutive time it is executed, it migrates these blocks among devices so that the sum of migration delay and inference delay remains low. Our approach partitions the decoder at the attention head-level, co-locating each attention head with its K/V cache and allowing dynamic migrations whenever resources become tight. By allocating different attention heads to different devices, we exploit parallel execution of attention heads and thus allow for substantial reductions in inference delays. Our experiments show that in small-scale settings (3-5 devices), the proposed method achieves within 15-20% of an exact optimal solver's latency, while in larger-scale tests it achieves notable improvements in inference speed and memory usage compared to state-of-the-art layer-based partitioning approaches.
Beyond the model: Key differentiators in large language models and multi-agent services
Goyal, Muskaan, Bhasin, Pranav
With the launch of foundation models like DeepSeek, Manus AI, and Llama 4, it has become evident that large language models (LLMs) are no longer the sole defining factor in generative AI. As many now operate at comparable levels of capability, the real race is not about having the biggest model but optimizing the surrounding ecosystem, including data quality and management, computational efficiency, latency, and evaluation frameworks. This review article delves into these critical differentiators that ensure modern AI services are efficient and profitable.
SEFE: Superficial and Essential Forgetting Eliminator for Multimodal Continual Instruction Tuning
Chen, Jinpeng, Cong, Runmin, Zhao, Yuzhi, Yang, Hongzheng, Hu, Guangneng, Ip, Horace Ho Shing, Kwong, Sam
Multimodal Continual Instruction Tuning (MCIT) aims to enable Multimodal Large Language Models (MLLMs) to incrementally learn new tasks without catastrophic forgetting. In this paper, we explore forgetting in this context, categorizing it into superficial forgetting and essential forgetting. Superficial forgetting refers to cases where the model's knowledge may not be genuinely lost, but its responses to previous tasks deviate from expected formats due to the influence of subsequent tasks' answer styles, making the results unusable. By contrast, essential forgetting refers to situations where the model provides correctly formatted but factually inaccurate answers, indicating a true loss of knowledge. Assessing essential forgetting necessitates addressing superficial forgetting first, as severe superficial forgetting can obscure the model's knowledge state. Hence, we first introduce the Answer Style Diversification (ASD) paradigm, which defines a standardized process for transforming data styles across different tasks, unifying their training sets into similarly diversified styles to prevent superficial forgetting caused by style shifts. Building on this, we propose RegLoRA to mitigate essential forgetting. RegLoRA stabilizes key parameters where prior knowledge is primarily stored by applying regularization, enabling the model to retain existing competencies. Experimental results demonstrate that our overall method, SEFE, achieves state-of-the-art performance.
Automated Hybrid Reward Scheduling via Large Language Models for Robotic Skill Learning
Huang, Changxin, Liang, Junyang, Chang, Yanbin, Xu, Jingzhao, Li, Jianqiang
Enabling a high-degree-of-freedom robot to learn specific skills is a challenging task due to the complexity of robotic dynamics. Reinforcement learning (RL) has emerged as a promising solution; however, addressing such problems requires the design of multiple reward functions to account for various constraints in robotic motion. Existing approaches typically sum all reward components indiscriminately to optimize the RL value function and policy. We argue that this uniform inclusion of all reward components in policy optimization is inefficient and limits the robot's learning performance. To address this, we propose an Automated Hybrid Reward Scheduling (AHRS) framework based on Large Language Models (LLMs). This paradigm dynamically adjusts the learning intensity of each reward component throughout the policy optimization process, enabling robots to acquire skills in a gradual and structured manner. Specifically, we design a multi-branch value network, where each branch corresponds to a distinct reward component. During policy optimization, each branch is assigned a weight that reflects its importance, and these weights are automatically computed based on rules designed by LLMs. The LLM generates a rule set in advance, derived from the task description, and during training, it selects a weight calculation rule from the library based on language prompts that evaluate the performance of each branch. Experimental results demonstrate that the AHRS method achieves an average 6.48% performance improvement across multiple high-degree-of-freedom robotic tasks.
Incentivizing Inclusive Contributions in Model Sharing Markets
Zhang, Enpei, Chai, Jingyi, Ye, Rui, Wang, Yanfeng, Chen, Siheng
While data plays a crucial role in training contemporary AI models, it is acknowledged that valuable public data will be exhausted in a few years, directing the world's attention towards the massive decentralized private data. However, the privacy-sensitive nature of raw data and lack of incentive mechanism prevent these valuable data from being fully exploited. Addressing these challenges, this paper proposes inclusive and incentivized personalized federated learning (iPFL), which incentivizes data holders with diverse purposes to collaboratively train personalized models without revealing raw data. iPFL constructs a model-sharing market by solving a graph-based training optimization and incorporates an incentive mechanism based on game theory principles. Theoretical analysis shows that iPFL adheres to two key incentive properties: individual rationality and truthfulness. Empirical studies on eleven AI tasks (e.g., large language models' instruction-following tasks) demonstrate that iPFL consistently achieves the highest economic utility, and better or comparable model performance compared to baseline methods. We anticipate that our iPFL can serve as a valuable technique for boosting future AI models on decentralized private data while making everyone satisfied.
Estimating Commonsense Scene Composition on Belief Scene Graphs
Saucedo, Mario A. V., Viswanathan, Vignesh Kottayam, Kanellakis, Christoforos, Nikolakopoulos, George
-- This work establishes the concept of commonsense scene composition, with a focus on extending Belief Scene Graphs by estimating the spatial distribution of unseen objects. Specifically, the commonsense scene composition capability refers to the understanding of the spatial relationships among related objects in the scene, which in this article is modeled as a joint probability distribution for all possible locations of the semantic object class. The proposed framework includes two variants of a Correlation Information (CECI) model for learning probability distributions: (i) a baseline approach based on a Graph Convolutional Network, and (ii) a neuro-symbolic extension that integrates a spatial ontology based on Large Language Models (LLMs). Furthermore, this article provides a detailed description of the dataset generation process for such tasks. Finally, the framework has been validated through multiple runs on simulated data, as well as in a real-world indoor environment, demonstrating its ability to spatially interpret scenes across different room types. For a video of the article, showcasing the experimental demonstration, please refer to the following link: https://youtu.be/f0tqtPVFZ2A
Optimizing Chain-of-Thought Reasoners via Gradient Variance Minimization in Rejection Sampling and RL
Yao, Jiarui, Hao, Yifan, Zhang, Hanning, Dong, Hanze, Xiong, Wei, Jiang, Nan, Zhang, Tong
Chain-of-thought (CoT) reasoning in large language models (LLMs) can be formalized as a latent variable problem, where the model needs to generate intermediate reasoning steps. While prior approaches such as iterative reward-ranked fine-tuning (RAFT) have relied on such formulations, they typically apply uniform inference budgets across prompts, which fails to account for variability in difficulty and convergence behavior. This work identifies the main bottleneck in CoT training as inefficient stochastic gradient estimation due to static sampling strategies. We propose GVM-RAFT, a prompt-specific Dynamic Sample Allocation Strategy designed to minimize stochastic gradient variance under a computational budget constraint. The method dynamically allocates computational resources by monitoring prompt acceptance rates and stochastic gradient norms, ensuring that the resulting gradient variance is minimized. Our theoretical analysis shows that the proposed dynamic sampling strategy leads to accelerated convergence guarantees under suitable conditions. Experiments on mathematical reasoning show that GVM-RAFT achieves a 2-4x speedup and considerable accuracy improvements over vanilla RAFT. The proposed dynamic sampling strategy is general and can be incorporated into other reinforcement learning algorithms, such as GRPO, leading to similar improvements in convergence and test accuracy. Our code is available at https://github.com/RLHFlow/GVM.