Y Cheng

Siyuan Huang, Pengyu Cheng, Haotian Liu et al.

LLM training is shifting from manual design and annotation to interaction-driven self-evolution. However, existing self-evolutionary methods face a fundamental dilemma between task diversity and verification reliability: environment-bound methods obtain precise feedback but confine learning to narrow domains, while open-ended self-generation broadens the task space but lacks reliable verification, allowing misleading rewards to pollute the training loop. We identify agent skills as a powerful middle ground to reconcile this tension: each skill ensures deep, verifiable execution in a specific scenario, while dynamic routing across skills maintains open-ended task variety. Leveraging this insight, we introduce Skill Self-Play (Skill-SP), a co-evolutionary framework comprising a proposer, a solver, and a dynamic skill controller. Orchestrated via a reinforcement learning loop, these components co-evolve in a continuous self-play loop: the proposer generates challenging tasks conditioned on dynamically sampled skills; the solver explores candidate solutions to push its capability boundaries; and the skill controller collects execution feedback to update and expand the skill library. This interactive co-evolution effectively bridges the gap between structured verification and open-ended exploration. Empirical evaluations on tool-use and reasoning benchmarks demonstrate that Skill-SP, serving as a robust evolution engine, consistently pushes the performance ceiling of competent backbones while catalyzing striking turnarounds for initially misaligned models. Our code is available at https://github.com/Qwen-Applications/skill-self-play.

Zhiwen Mo, Yu Cheng, Lei Wang et al.

Recent GPU programming frameworks such as Triton, TileLang, and CUDA Tile adopt tiles as first-class primitives, making tile-centric programming the prevailing approach for high-performance GPU kernels. Performance-analysis tooling has not followed: programmers still rely on coarse roofline bounds, opaque ML predictors, or post-hoc profilers to understand kernel execution. This gap is acute for modern AI workloads, where kernel fusion and distributed inference depend on tensor cores, CUDA cores, cache hierarchies, memory pipelines, and inter-GPU networks. We present TileSight, a tile-centric performance-modeling tool that elevates the tile from a programming primitive to an analysis primitive. Within a GPU core, TileSight models compute-memory pipeline overlap; across cores, it models the cache hierarchy; across GPUs, it models inter-node communication. All layers share the tile abstraction: the intra-tile layer expresses work as a resource vector spanning network, memory, and compute pipelines; the inter-tile layer schedules dependent and ordered actions to expose legal overlap and infers multi-level cache hit rates from tile reuse distance; and the cross-device layer maps remote tensor accesses to placements and routes them through an alpha-beta stage cost. On A100, H200, B200, and B6000, TileSight predicts single-GPU kernel latency with 12.35% pooled mean absolute percentage error (MAPE), outperforming state-of-the-art baselines and transferring better across architectures. Its L2 cache-hit-rate predictions are within roughly one percentage point of measurements on every GPU. At up to 32 GPUs, TileSight achieves 16.18% weighted MAPE (wMAPE) on fused distributed kernels and 13.52% wMAPE on end-to-end vLLM serving. In optimization, TileSight selects tile configurations competitive with strong vendor and expert baselines. TileSight will be open-sourced upon publication.

Hesen Chen, Xinyu Su, Xiaomeng Yang et al.

Scientific discovery is increasingly shifting from isolated disciplines to multi-domain reasoning, and AI for science faces a similar transition. Existing systems are either specialised for individual domains or unify scientific data mainly through text tokenisation and prompt-based interfaces, limiting their ability to handle diverse scientific inputs, produce modality-native outputs, and support joint understanding, reasoning, and generation across scientific domains. We introduce MKB, a unified scientific multimodal model for both understanding and generation, built around a shared Transformer backbone and modality-tailored encoders, adapters, and decoders. MKB covers six scientific branches, including DNA, RNA, proteins, small molecules, earth science, and medical images, and supports native outputs such as biological sequences, molecular strings, meteorological fields, and segmentation masks. Training follows a two-stage modality-then-language curriculum: Stage 1 aligns modality-specific components with the frozen backbone, and Stage 2 consolidates them with the language backbone using mixed scientific and general corpora. Experiments show that MKB achieves competitive scientific understanding across biological and molecular benchmarks, produces high-fidelity native outputs for weather forecasting, biological generation, and medical-image segmentation, and largely retains the general capabilities of its Qwen3-VL backbone. These results demonstrate the feasibility of the proposed paradigm, suggesting that shared-backbone models with modality-tailored components can provide a promising foundation for future cross-domain scientific multimodal exploration. The model and code are publicly available at https://github.com/Shanghai-Academy-of-AI-For-Science/MKB and https://huggingface.co/sais-org/MKB.

Wei Zhang, Xinwu Liu, Yihang Cheng

Low-Rank Adaptation (LoRA) is a widely used parameter-efficient fine-tuning method for large language models, but its performance depends strongly on how a fixed rank budget is distributed across Transformer modules. Existing adaptive-rank methods usually rely on local gradient statistics collected during training, which introduces extra memory and computation and overlooks task-conditioned global information flow. We propose IFCLoRA, a topology-aware rank allocation method applied before fine-tuning. Using a small calibration set and a frozen pretrained model, IFCLoRA builds a sparse task-conditioned interaction graph whose nodes represent LoRA-compatible modules. It combines a global information-flow topology prior with local gradient sensitivity to compute Information-Flow Centrality scores, which estimate each module's adaptation importance under multi-hop propagation. Ranks are then assigned once under a global budget. Across multiple models, tasks, and low-rank settings, IFCLoRA consistently outperforms LoRA, AdaLoRA, and EVA under matched training configurations and total rank budgets, while retaining training costs comparable to standard LoRA. On mathematical reasoning with LLaMA 3 8B, IFCLoRA improves over LoRA by 1.36 percent at rank 4 and 1.82 percent at rank 8. Further analysis shows task-dependent, non-uniform rank profiles, indicating that global information-flow structure provides an informative and interpretable prior for low-budget parameter-efficient fine-tuning.

Bizu Feng, Zhimu Yang, Shuming Wang et al.

We study feature-level and node-level explanations for graph neural networks (GNNs) through the lens of Aumann-Shapley attribution. Path-integral methods such as Integrated Gradients provide an axiomatic formulation of attribution, but their practical use in deep GNNs typically relies on finite-sample numerical approximations to the path integral, requiring a trade-off between quadrature error and computational cost. This paper proposes APEX, a model-attribution co-design framework that makes the attribution integral exactly computable under a polynomial GNN architecture. The key component is PolyGIN, a GIN-style graph network whose message-passing, normalization, and transformation operations preserve a bounded multivariate polynomial form for scalar model scores, such as pre-softmax logits. We show that, for a PolyGIN with $L$ polynomial transformation blocks, the derivative along the attribution path has degree at most $2^L-1$. Therefore, Gauss--Legendre quadrature can evaluate the Aumann--Shapley path integral exactly, up to floating-point precision, with $2^{L-1}$ deterministic evaluation points. The resulting attributions can be computed at the feature level and then aggregated into node-level scores while preserving completeness. Experiments on synthetic and real-world graph benchmarks show that PolyGIN maintains competitive predictive performance, while the complete APEX framework achieves higher attribution fidelity than the compared baselines and substantially reduces the number of evaluations required for path integration.