Guoming Li

Aravind Mandiga, Guoming Li, Jin Lu et al.

Protein-language systems are often evaluated by whether they generate plausible biological text, but a structural question has a sharper semantics: it denotes a measurement in a 3D coordinate system. We introduce ProtStructQA, an executable benchmark for protein structural question answering in which each natural-language question is generated from a hidden typed domain-specific language (DSL) program and the answer is obtained by executing that program on an AlphaFold-predicted structure. ProtStructQA releases 382.2K questions covering confidence, distances, predicted aligned error (PAE), solvent exposure, secondary structure, topology and contacts, and held-out compositions: a 330K active benchmark over 10K proteins from four species, plus a 52.2K hard-negative robustness pool. Without fine-tuning, we evaluate Qwen3 models from 0.6B to 8B under direct prompting, chain-of-thought, grammar-constrained executable voting, executable voting with chain-of-thought, and multi-turn ReAct-style tool use, and replicate the headline finding on Gemma-3-1B and Gemma-3-12B. We find a capability-dependent denotation threshold between Qwen3-1.7B and Qwen3-4B: below it, tool-mediated ReAct dominates because models often fail to produce executable denotations; above it, chain-of-thought flips from mostly harmful to strongly beneficial and becomes the strongest strategy on most splits. Parse-failure and family-level analyses show that the threshold is a transition from unparseable language to executable structural denotation, while grammar and execution remain selectively valuable for PAE and secondary-structure queries. ProtStructQA reframes scientific QA as compilation from language to measurement and provides a diagnostic testbed for when language models can map words to executable 3D structural measurements.

Fei Dou, Jin Ye, Geng Yuan et al.

Artificial General Intelligence (AGI), possessing the capacity to comprehend, learn, and execute tasks with human cognitive abilities, engenders significant anticipation and intrigue across scientific, commercial, and societal arenas. This fascination extends particularly to the Internet of Things (IoT), a landscape characterized by the interconnection of countless devices, sensors, and systems, collectively gathering and sharing data to enable intelligent decision-making and automation. This research embarks on an exploration of the opportunities and challenges towards achieving AGI in the context of the IoT. Specifically, it starts by outlining the fundamental principles of IoT and the critical role of Artificial Intelligence (AI) in IoT systems. Subsequently, it delves into AGI fundamentals, culminating in the formulation of a conceptual framework for AGI's seamless integration within IoT. The application spectrum for AGI-infused IoT is broad, encompassing domains ranging from smart grids, residential environments, manufacturing, and transportation to environmental monitoring, agriculture, healthcare, and education. However, adapting AGI to resource-constrained IoT settings necessitates dedicated research efforts. Furthermore, the paper addresses constraints imposed by limited computing resources, intricacies associated with large-scale IoT communication, as well as the critical concerns pertaining to security and privacy.

Guoming Li, Shangyu Zhang, Junwei Pan et al.

Scaling recommendation models is a central challenge in recommender systems. Recently, RankMixer has emerged as an effective solution, operating on a unified token representation and alternating between token mixing and per-token feedforward networks (P-FFNs) to achieve scalable performance. However, RankMixer suffers from \textit{embedding collapse}, where learned representations have low effective rank, limiting expressivity and underutilizing the expanded representation space. Through empirical analysis and theoretical insights, we identify rigid token mixing and P-FFN modules as the primary causes of this phenomenon, jointly inducing a \textbf{damped oscillatory trajectory} in effective-rank evolution across layers. To address it, we propose RankElastor, a novel architecture that produces spectrum-robust representations with provable collapse mitigation. RankElastor introduces two components: (i) \textbf{parameterized full mixing}, which enables expressive token mixing with improved spectral robustness; and (ii) \textbf{GLU-improved P-FFNs}, which stabilize representation spectra through GLU-style FFN modules. Extensive experiments on large-scale industrial datasets demonstrate that RankElastor consistently improves recommendation performance, mitigates embedding collapse, and exhibits robust scaling behavior. Code is available at this GitHub repository: https://github.com/vasile-paskardlgm/RankElastor

Guoming Li, Jian Yang, Shangsong Liang

Approximation-based spectral graph neural networks, which construct graph filters with function approximation, have shown substantial performance in graph learning tasks. Despite their great success, existing works primarily employ polynomial approximation to construct the filters, whereas another superior option, namely ration approximation, remains underexplored. Although a handful of prior works have attempted to deploy the rational approximation, their implementations often involve intensive computational demands or still resort to polynomial approximations, hindering full potential of the rational graph filters. To address the issues, this paper introduces ERGNN, a novel spectral GNN with explicitly-optimized rational filter. ERGNN adopts a unique two-step framework that sequentially applies the numerator filter and the denominator filter to the input signals, thus streamlining the model paradigm while enabling explicit optimization of both numerator and denominator of the rational filter. Extensive experiments validate the superiority of ERGNN over state-of-the-art methods, establishing it as a practical solution for deploying rational-based GNNs.

Guoming Li, Jian Yang, Shangsong Liang et al.

Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph learning. As an essential part of spectral GNNs, spectral graph convolution extracts crucial frequency information in graph data, leading to superior performance of spectral GNNs in downstream tasks. However, in this paper, we show that existing spectral GNNs remain critical drawbacks in performing the spectral graph convolution. Specifically, considering the spectral graph convolution as a construction operation towards target output, we prove that existing popular convolution paradigms cannot construct the target output with mild conditions on input graph signals, causing spectral GNNs to fall into suboptimal solutions. To address the issues, we rethink the spectral graph convolution from a more general two-dimensional (2-D) signal convolution perspective and propose a new convolution paradigm, named 2-D graph convolution. We prove that 2-D graph convolution unifies existing graph convolution paradigms, and is capable to construct arbitrary target output. Based on the proposed 2-D graph convolution, we further propose ChebNet2D, an efficient and effective GNN implementation of 2-D graph convolution through applying Chebyshev interpolation. Extensive experiments on benchmark datasets demonstrate both effectiveness and efficiency of the ChebNet2D.

Guoming Li, Jian Yang, Shangsong Liang et al.

Spectral graph neural networks are proposed to harness spectral information inherent in graph-structured data through the application of polynomial-defined graph filters, recently achieving notable success in graph-based web applications. Existing studies reveal that various polynomial choices greatly impact spectral GNN performance, underscoring the importance of polynomial selection. However, this selection process remains a critical and unresolved challenge. Although prior work suggests a connection between the approximation capabilities of polynomials and the efficacy of spectral GNNs, there is a lack of theoretical insights into this relationship, rendering polynomial selection a largely heuristic process. To address the issue, this paper examines polynomial selection from an error-sum of function slices perspective. Inspired by the conventional signal decomposition, we represent graph filters as a sum of disjoint function slices. Building on this, we then bridge the polynomial capability and spectral GNN efficacy by proving that the construction error of graph convolution layer is bounded by the sum of polynomial approximation errors on function slices. This result leads us to develop an advanced filter based on trigonometric polynomials, a widely adopted option for approximating narrow signal slices. The proposed filter remains provable parameter efficiency, with a novel Taylor-based parameter decomposition that achieves streamlined, effective implementation. With this foundation, we propose TFGNN, a scalable spectral GNN operating in a decoupled paradigm. We validate the efficacy of TFGNN via benchmark node classification tasks, along with an example graph anomaly detection application to show its practical utility.

Qitao Tan, Xiaoying Song, Jin Lu et al.

Quantization is an effective technique to reduce the deployment cost of large language models (LLMs), and post-training quantization (PTQ) has been widely studied due to its efficiency. However, existing PTQ methods are limited by their inability to fine-tune model parameters and often suffer significant accuracy loss in low-bit scenarios. Quantization-aware training (QAT) provides a more principled solution, but its reliance on backpropagation incurs prohibitive memory costs, limiting its practicality for LLM deployment. To address these challenges, we propose ZeroQAT, a zeroth-order optimization-based QAT framework that supports both weight and activation quantization. ZeroQAT leverages forward-only gradient estimation to eliminate backpropagation, substantially reducing computational and memory overhead while retaining the benefits of end-to-end optimization. We further introduce a lightweight variant of ZeroQAT for quantized fine-tuning, which freezes and pre-quantizes most parameters to further cut memory usage. Experiments show that ZeroQAT consistently outperforms representative PTQ and QAT baselines while requiring significantly less memory. For example, ZeroQAT enables fine-tuning of a 13B model at extremely low bit-widths (e.g., 2-4 bits) on a single 8GB GPU, and even allows fine-tuning a 6.7B model on a OnePlus 12 smartphone, demonstrating its practicality for end-to-end QAT on resource-limited edge devices.

Chence Yang, Ci Zhang, Lei Lu et al.

With the growing size of deep neural networks and datasets, the computational costs of training have significantly increased. The layer-freezing technique has recently attracted great attention as a promising method to effectively reduce the cost of network training. However, in traditional layer-freezing methods, frozen layers are still required for forward propagation to generate feature maps for unfrozen layers, limiting the reduction of computation costs. To overcome this, prior works proposed a hypothetical solution, which caches feature maps from frozen layers as a new dataset, allowing later layers to train directly on stored feature maps. While this approach appears to be straightforward, it presents several major challenges that are severely overlooked by prior literature, such as how to effectively apply augmentations to feature maps and the substantial storage overhead introduced. If these overlooked challenges are not addressed, the performance of the caching method will be severely impacted and even make it infeasible. This paper is the first to comprehensively explore these challenges and provides a systematic solution. To improve training accuracy, we propose \textit{similarity-aware channel augmentation}, which caches channels with high augmentation sensitivity with a minimum additional storage cost. To mitigate storage overhead, we incorporate lossy data compression into layer freezing and design a \textit{progressive compression} strategy, which increases compression rates as more layers are frozen, effectively reducing storage costs. Finally, our solution achieves significant reductions in training cost while maintaining model accuracy, with a minor time overhead. Additionally, we conduct a comprehensive evaluation of freezing and compression strategies, providing insights into optimizing their application for efficient DNN training.

Guoming Li, Jian Yang, Yifan Chen

Filtering-based graph neural networks (GNNs) constitute a distinct class of GNNs that employ graph filters to handle graph-structured data, achieving notable success in various graph-related tasks. Conventional methods adopt a graph-wise filtering paradigm, imposing a uniform filter across all nodes, yet recent findings suggest that this rigid paradigm struggles with heterophilic graphs. To overcome this, recent works have introduced node-wise filtering, which assigns distinct filters to individual nodes, offering enhanced adaptability. However, a fundamental gap remains: a comprehensive framework unifying these two strategies is still absent, limiting theoretical insights into the filtering paradigms. Moreover, through the lens of Contextual Stochastic Block Model, we reveal that a synthesis of graph-wise and node-wise filtering provides a sufficient solution for classification on graphs exhibiting both homophily and heterophily, suggesting the risk of excessive parameterization and potential overfitting with node-wise filtering. To address the limitations, this paper introduces Coarsening-guided Partition-wise Filtering (CPF). CPF innovates by performing filtering on node partitions. The method begins with structure-aware partition-wise filtering, which filters node partitions obtained via graph coarsening algorithms, and then performs feature-aware partition-wise filtering, refining node embeddings via filtering on clusters produced by $k$-means clustering over features. In-depth analysis is conducted for each phase of CPF, showing its superiority over other paradigms. Finally, benchmark node classification experiments, along with a real-world graph anomaly detection application, validate CPF's efficacy and practical utility.

Jian Yang, Jiakun Li, Guoming Li et al.

Multi-view hand mesh reconstruction is a critical task for applications in virtual reality and human-computer interaction, but it remains a formidable challenge. Although existing multi-view hand reconstruction methods achieve remarkable accuracy, they typically come with an intensive computational burden that hinders real-time inference. To this end, we propose MLPHand, a novel method designed for real-time multi-view single hand reconstruction. MLP Hand consists of two primary modules: (1) a lightweight MLP-based Skeleton2Mesh model that efficiently recovers hand meshes from hand skeletons, and (2) a multi-view geometry feature fusion prediction module that enhances the Skeleton2Mesh model with detailed geometric information from multiple views. Experiments on three widely used datasets demonstrate that MLPHand can reduce computational complexity by 90% while achieving comparable reconstruction accuracy to existing state-of-the-art baselines.