Wenhe Zhang

Yunyang Li, Lin Huang, Luojia Xia et al.

Generative models for 3D molecular conformations must respect Euclidean symmetries and concentrate probability mass on thermodynamically favorable, mechanically stable structures. However, E(3)-equivariant diffusion models often reproduce biases from semi-empirical training data rather than capturing the equilibrium distribution of a high-fidelity Hamiltonian. While physics-based guidance can correct this, it faces two computational bottlenecks: expensive quantum-chemical evaluations (e.g., DFT) and the need to repeat such queries at every sampling step. We present Elign, a post-training framework that amortizes both costs. First, we replace expensive DFT evaluations with a faster, pretrained foundational machine-learning force field (MLFF) to provide physical signals. Second, we eliminate repeated run-time queries by shifting physical steering to the training phase. To achieve the second amortization, we formulate reverse diffusion as a reinforcement learning problem and introduce Force--Energy Disentangled Group Relative Policy Optimization (FED-GRPO) to fine-tune the denoising policy. FED-GRPO includes a potential-based energy reward and a force-based stability reward, which are optimized and group-normalized independently. Experiments show that Elign generates conformations with lower gold-standard DFT energies and forces, while improving stability. Crucially, inference remains as fast as unguided sampling, since no energy evaluations are required during generation.

Xin Li, Mengbing Liu, Yiyang Zhu et al.

Large language models (LLMs) excel at general mathematical reasoning but fail catastrophically on specialized technical mathematics. In wireless communications, where problems require precise manipulation of information-theoretic bounds, optimization constraints, and signal processing formulations, even state-of-the-art models struggle to achieve competent performance. We present WirelessMathLM, demonstrating that compact models (0.5B-7B parameters) can match or exceed much larger models through domain-specific reinforcement learning with verifiable rewards. Our key insight is that wireless mathematics problems possess a unique property--verifiable correctness--that enables effective reinforcement learning without human feedback. We construct WirelessMathBench-XL, a comprehensive benchmark of 4,027 problems from 970 papers. Using Group Relative Policy Optimization (GRPO) with binary verification rewards, we train models directly from base checkpoints without supervised warm-start. Our 7B model achieves 39.5% accuracy on WirelessMathBench-XL, approaching GPT-4o (40.4%) while using about 100 times fewer parameters than DeepSeek-R1 (671B, 57.4%). Remarkably, GRPO training nearly doubles performance across all model scales (0.5B +11%, 3B +103%, 7B +81%), with positive transfer to general mathematics benchmarks--our models gain +8.4 points on average across MATH, Minerva-Math, OlympiadBench, AMC, and AIME without any training on these tasks.

Wenhe Zhang, Jin He, Kevin Song

The recent progress of artificial intelligence(AI) has shown great potentials for alleviating human burden in various complex tasks. From the view of software engineering, AI techniques can be seen in many fundamental aspects of development, such as source code comprehension, in which state-of-the-art models are implemented to extract and express the meaning of code snippets automatically. However, such technologies are still struggling to tackle and comprehend the complex structures within industrial code, thus far from real-world applications. In the present work, we built an innovative and systematical framework, emphasizing the problem of complexity in code comprehension and further software engineering. Upon automatic data collection from the latest Linux kernel source code, we modeled code structures as complex networks through token extraction and relation parsing. Comprehensive analysis of complexity further revealed the density and scale of network-based code representations. Our work constructed the first large-scale dataset from industrial-strength software code for downstream software engineering tasks including code comprehension, and incorporated complex network theory into code-level investigations of software development for the first time. In the longer term, the proposed methodology could play significant roles in the entire software engineering process, powering software design, coding, debugging, testing, and sustaining by redefining and embracing complexity.

Wenhe Zhang, Chi Zhang, Yixin Zhu et al.

As a comprehensive indicator of mathematical thinking and intelligence, the number sense (Dehaene 2011) bridges the induction of symbolic concepts and the competence of problem-solving. To endow such a crucial cognitive ability to machine intelligence, we propose a dataset, Machine Number Sense (MNS), consisting of visual arithmetic problems automatically generated using a grammar model--And-Or Graph (AOG). These visual arithmetic problems are in the form of geometric figures: each problem has a set of geometric shapes as its context and embedded number symbols. Solving such problems is not trivial; the machine not only has to recognize the number, but also to interpret the number with its contexts, shapes, and relations (e.g., symmetry) together with proper operations. We benchmark the MNS dataset using four predominant neural network models as baselines in this visual reasoning task. Comprehensive experiments show that current neural-network-based models still struggle to understand number concepts and relational operations. We show that a simple brute-force search algorithm could work out some of the problems without context information. Crucially, taking geometric context into account by an additional perception module would provide a sharp performance gain with fewer search steps. Altogether, we call for attention in fusing the classic search-based algorithms with modern neural networks to discover the essential number concepts in future research.