Abstract:The Mixture of Experts (MoE) architecture is a cornerstone of modern state-of-the-art (SOTA) large language models (LLMs). MoE models facilitate scalability by enabling sparse parameter activation. However, traditional MoE architecture uses homogeneous experts of a uniform size, activating a fixed number of parameters irrespective of input complexity and thus limiting computational efficiency. To overcome this limitation, we introduce Grove MoE, a novel architecture incorporating experts of varying sizes, inspired by the heterogeneous big.LITTLE CPU architecture. This architecture features novel adjugate experts with a dynamic activation mechanism, enabling model capacity expansion while maintaining manageable computational overhead. Building on this architecture, we present GroveMoE-Base and GroveMoE-Inst, 33B-parameter LLMs developed by applying an upcycling strategy to the Qwen3-30B-A3B-Base model during mid-training and post-training. GroveMoE models dynamically activate 3.14-3.28B parameters based on token complexity and achieve performance comparable to SOTA open-source models of similar or even larger size.
Abstract:The Mixture-of-Experts (MoE) architecture has become a predominant paradigm for scaling large language models (LLMs). Despite offering strong performance and computational efficiency, large MoE-based LLMs like DeepSeek-V3-0324 and Kimi-K2-Instruct present serious challenges due to substantial memory requirements in deployment. While recent works have explored MoE compression to address this issue, existing methods often suffer from considerable accuracy drops (e.g., 7-14% relatively) even at modest compression rates. This paper introduces a novel Mixture-of-Basis-Experts (MoBE) method that achieves model compression while incurring minimal accuracy drops. Specifically, each up/gate matrix in an expert is decomposed via a rank decomposition as W = AB, where matrix A is unique to each expert. The relatively larger matrix B is further re-parameterized as a linear combination of basis matrices {Bi} shared across all experts within a given MoE layer. The factorization is learned by minimizing the reconstruction error relative to the original weight matrices. Experiments demonstrate that MoBE achieves notably lower accuracy drops compared to prior works. For instance, MoBE can reduce the parameter counts of Qwen3-235B-A22B-2507, DeepSeek-V3-0324 (671B) and Kimi-K2-Instruct (1T) by 24%-30% with only 1%-2% accuracy drop (about 2% drops when measured relatively).
Abstract:Graphical User Interface (GUI) agents offer cross-platform solutions for automating complex digital tasks, with significant potential to transform productivity workflows. However, their performance is often constrained by the scarcity of high-quality trajectory data. To address this limitation, we propose training Vision Language Models (VLMs) on data-rich, reasoning-intensive tasks during a dedicated mid-training stage, and then examine how incorporating these tasks facilitates generalization to GUI planning scenarios. Specifically, we explore a range of tasks with readily available instruction-tuning data, including GUI perception, multimodal reasoning, and textual reasoning. Through extensive experiments across 11 mid-training tasks, we demonstrate that: (1) Task generalization proves highly effective, yielding substantial improvements across most settings. For instance, multimodal mathematical reasoning enhances performance on AndroidWorld by an absolute 6.3%. Remarkably, text-only mathematical data significantly boosts GUI web agent performance, achieving a 5.6% improvement on WebArena and 5.4% improvement on AndroidWorld, underscoring notable cross-modal generalization from text-based to visual domains; (2) Contrary to prior assumptions, GUI perception data - previously considered closely aligned with GUI agent tasks and widely utilized for training - has a comparatively limited impact on final performance; (3) Building on these insights, we identify the most effective mid-training tasks and curate optimized mixture datasets, resulting in absolute performance gains of 8.0% on WebArena and 12.2% on AndroidWorld. Our work provides valuable insights into cross-domain knowledge transfer for GUI agents and offers a practical approach to addressing data scarcity challenges in this emerging field. The code, data and models will be available at https://github.com/hkust-nlp/GUIMid.
Abstract:Despite high benchmark scores, Large Language Models (LLMs) often fail simple problem, raising a critical question: Do LLMs learn mathematical principles or merely memorize patterns? Rather than designing increasingly complex benchmarks like recent works, we investigate this using elementary two-integer addition ($0$ to $2^{64}$), probing two core properties: commutativity ($A+B=B+A$) and compositional generalization (via isomorphic symbolic mappings, e.g., $7 \rightarrow y$). While state-of-the-art LLMs achieve 73.8-99.8\% accuracy on numerical addition, performance collapses to $\leq$7.5\% under symbolic mapping, indicating failure to generalize learned rules. Non-monotonic performance scaling with digit count and frequent commutativity violations (over 1,700 cases of $A+B \neq B+A$) further support this. Explicitly providing addition rules degrades performance by 81.2\% on average, while self-explanation maintains baseline accuracy, suggesting LLM arithmetic processing is misaligned with human-defined principles. Our findings indicate current LLMs rely on memory pattern over genuine rule learning, highlighting architectural limitations and the need for new approaches to achieve true mathematical reasoning.
Abstract:The integration of artificial intelligence in medical imaging has shown tremendous potential, yet the relationship between pre-trained knowledge and performance in cross-modality learning remains unclear. This study investigates how explicitly injecting medical knowledge into the learning process affects the performance of cross-modality classification, focusing on Chest X-ray (CXR) images. We introduce a novel Set Theory-based knowledge injection framework that generates captions for CXR images with controllable knowledge granularity. Using this framework, we fine-tune CLIP model on captions with varying levels of medical information. We evaluate the model's performance through zero-shot classification on the CheXpert dataset, a benchmark for CXR classification. Our results demonstrate that injecting fine-grained medical knowledge substantially improves classification accuracy, achieving 72.5\% compared to 49.9\% when using human-generated captions. This highlights the crucial role of domain-specific knowledge in medical cross-modality learning. Furthermore, we explore the influence of knowledge density and the use of domain-specific Large Language Models (LLMs) for caption generation, finding that denser knowledge and specialized LLMs contribute to enhanced performance. This research advances medical image analysis by demonstrating the effectiveness of knowledge injection for improving automated CXR classification, paving the way for more accurate and reliable diagnostic tools.
Abstract:NP-hard problem-solving traditionally relies on heuristics, but manually crafting effective heuristics for complex problems remains challenging. While recent work like FunSearch has demonstrated that large language models (LLMs) can be leveraged for heuristic design in evolutionary algorithm (EA) frameworks, their potential is not fully realized due to its deficiency in exploitation and exploration. We present UBER (Uncertainty-Based Evolution for Refinement), a method that enhances LLM+EA methods for automatic heuristic design by integrating uncertainty on top of the FunSearch framework. UBER introduces two key innovations: an Uncertainty-Inclusive Evolution Process (UIEP) for adaptive exploration-exploitation balance, and a principled Uncertainty-Inclusive Island Reset (UIIS) strategy for maintaining population diversity. Through extensive experiments on challenging NP-complete problems, UBER demonstrates significant improvements over FunSearch. Our work provides a new direction for the synergy of LLMs and EA, advancing the field of automatic heuristic design.
Abstract:The rapid development of large language and multimodal models has sparked significant interest in using proprietary models, such as GPT-4o, to develop autonomous agents capable of handling real-world scenarios like web navigation. Although recent open-source efforts have tried to equip agents with the ability to explore environments and continuously improve over time, they are building text-only agents in synthetic environments where the reward signals are clearly defined. Such agents struggle to generalize to realistic settings that require multimodal perception abilities and lack ground-truth signals. In this paper, we introduce an open-source framework designed to facilitate the development of multimodal web agent that can autonomously conduct real-world exploration and improve itself. We first train the base model with imitation learning to gain the basic abilities. We then let the agent explore the open web and collect feedback on its trajectories. After that, it further improves its policy by learning from well-performing trajectories judged by another general-purpose model. This exploration-feedback-optimization cycle can continue for several iterations. Experimental results show that our web agent successfully improves itself after each iteration, demonstrating strong performance across multiple test sets.
Abstract:Transformers can capture long-range dependencies using self-attention, allowing tokens to attend to all others directly. However, stacking multiple attention layers leads to attention concentration. One natural way to address this issue is to use cross-layer attention, allowing information from earlier layers to be directly accessible to later layers. However, this approach is computationally expensive. To address this problem, we propose Transformer with residual value (ResFormer) which approximates cross-layer attention through adding a residual connection from the values of the the first layer to all subsequent layers. Based on this method, one variant is the Transformer with single layer value (SVFormer), where all layers share the same value embedding from first layer, reducing the KV cache by nearly 50%. Comprehensive empirical evidence demonstrates that ResFormer mitigates attention concentration problem in deeper layers and enhances representation across most layers, outperforming the vanilla Transformer, DenseFormer, and NeuTRENO in training error as well as downstream tasks. SVFormer trains significantly faster than the vanilla Transformer and performs better than other methods like GQA and CLA, with performance influenced by sequence length and cumulative learning rate.
Abstract:Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited ability in acquiring external knowledge for innovation. To address this problem, we introduce an enhanced planning and search methodology designed to boost the creative potential of LLM-based systems. Our approach involves an iterative process to purposely plan the retrieval of external knowledge, progressively enriching the idea generation with broader and deeper insights. Validation through automated and human assessments indicates that our framework substantially elevates the quality of generated ideas, particularly in novelty and diversity. The number of unique novel ideas produced by our framework is 3.4 times higher than without it. Moreover, our method outperforms the current state-of-the-art, generating at least 2.5 times more top-rated ideas based on 170 seed papers in a Swiss Tournament evaluation.
Abstract:As awareness of mental health issues grows, online counseling support services are becoming increasingly prevalent worldwide. Detecting whether users express suicidal ideation in text-based counseling services is crucial for identifying and prioritizing at-risk individuals. However, the lack of domain-specific systems to facilitate fine-grained suicide detection and corresponding risk assessment in online counseling poses a significant challenge for automated crisis intervention aimed at suicide prevention. In this paper, we propose PsyGUARD, an automated system for detecting suicide ideation and assessing risk in psychological counseling. To achieve this, we first develop a detailed taxonomy for detecting suicide ideation based on foundational theories. We then curate a large-scale, high-quality dataset called PsySUICIDE for suicide detection. To evaluate the capabilities of automated systems in fine-grained suicide detection, we establish a range of baselines. Subsequently, to assist automated services in providing safe, helpful, and tailored responses for further assessment, we propose to build a suite of risk assessment frameworks. Our study not only provides an insightful analysis of the effectiveness of automated risk assessment systems based on fine-grained suicide detection but also highlights their potential to improve mental health services on online counseling platforms. Code, data, and models are available at https://github.com/qiuhuachuan/PsyGUARD.