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RxnNano:Training Compact LLMs for Chemical Reaction and Retrosynthesis Prediction via Hierarchical Curriculum Learning

arXiv:2603.02215v1 Announce Type: cross Abstract: Chemical reaction prediction is pivotal for accelerating drug discovery and synthesis planning. Despite advances in data-driven models, current approaches are hindered by an overemphasis on parameter and dataset scaling. Some methods coupled with evaluation techniques that bypass fundamental challenges in reaction representation and fail to capture deep chemical intuition like reaction common sense and {topological atom mapping logic}. We argue that the core challenge lies in instilling these knowledge into the models. To this end, we propose a unified framework that prioritizes chemical understanding over scale through three key innovations: (1) a {Latent Chemical Consistency} objective that models reactions as movements on a continuous chemical manifold, ensuring reversible and physically plausible transformations; (2) a {Hierarchical Cognitive Curriculum} that trains the model through progressive stages, from syntax mastery to semantic reasoning, building robust chemical intuition; (3) {Atom-Map Permutation Invariance (AMPI)}, which force the model to learn invariant relational topology and balance multi-task learning. (4)and structured plan-based reasoning to improve the performance of the LLMs. Our compact {0.5B-parameter model}, \textbf{RxnNano} significantly outperforms fine-tuned LLMs ten times larger (>7B) and all the domain baselines, achieving a 23.5\% Top-1 accuracy improvement on rigorous benchmarks without test-time augmentation. https://github.com/rlisml/RxnNano.
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Pailitao-VL: Unified Embedding and Reranker for Real-Time Multi-Modal Industrial Search

arXiv:2602.13704v1 Announce Type: cross Abstract: In this work, we presented Pailitao-VL, a comprehensive multi-modal retrieval system engineered for high-precision, real-time industrial search. We here address three critical challenges in the current SOTA solution: insufficient retrieval granularity, vulnerability to environmental noise, and prohibitive efficiency-performance gap. Our primary contribution lies in two fundamental paradigm shifts. First, we transitioned the embedding paradigm from traditional contrastive learning to an absolute ID-recognition task. Through anchoring instances to a globally consistent latent space defined by billions of semantic prototypes, we successfully overcome the stochasticity and granularity bottlenecks inherent in existing embedding solutions. Second, we evolved the generative reranker from isolated pointwise evaluation to the compare-and-calibrate listwise policy. By synergizing chunk-based comparative reasoning with calibrated absolute relevance scoring, the system achieves nuanced discriminative resolution while circumventing the prohibitive latency typically associated with conventional reranking methods. Extensive offline benchmarks and online A/B tests on Alibaba e-commerce platform confirm that Pailitao-VL achieves state-of-the-art performance and delivers substantial business impact. This work demonstrates a robust and scalable path for deploying advanced MLLM-based retrieval architectures in demanding, large-scale production environments.
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WiSparse: Boosting LLM Inference Efficiency with Weight-Aware Mixed Activation Sparsity

arXiv:2602.14452v1 Announce Type: cross Abstract: Large Language Models (LLMs) offer strong capabilities but incur high inference costs due to dense computation and memory access. Training-free activation sparsity is a promising approach for efficient LLM inference, yet existing methods often rely solely on activation information and uniform sparsity ratios. This overlooks the critical interplay with weights and inter-block sensitivity variation, leading to suboptimal performance. We identify two key phenomena in modern LLMs: 1) less significant activations may align with highly important weights, and 2) sparsity sensitivity varies non-monotonically across model blocks. We propose Weight-aware Mixed-Granularity Training-free Activation Sparsity (WiSparse), which leverages both activation and weight information for adaptive sparsity allocation. Specifically, we introduce a weight-aware mechanism integrating activation magnitudes with precomputed weight norms to accurately identify salient channels. This is combined with a mixed-granularity allocation scheme: a global budget is distributed across blocks via evolutionary search to protect sensitive regions, then refined within blocks to minimize reconstruction error. We improve sparse kernels and demonstrate effectiveness on three representative models. Notably, at 50% sparsity, WiSparse preserves 97% of Llama3.1's dense performance, surpassing the strongest baseline by 2.23 percentage points while achieving a 21.4% acceleration in end-to-end inference speed. Our research advances the limits of training-free approaches for efficient LLM inference, pushing the boundaries of achievable speedup without training.
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