Xiaoyu Fan

Chengda Lu, Xiaoyu Fan, Wei Xu · deepmind

While Large Language Models (LLMs) achieve strong performance across diverse tasks, their inference dynamics remain poorly understood because of the limited resolution of existing analysis tools. In this work, we identify an intrinsic magnification mechanism in transformer architectures: deeper layers inherently magnify the small changes of layer-wise confidence, providing a fine-grained confidence trajectory. Building on this insight, we introduce HyperLens, a high-resolution probe designed to trace confidence trajectories and quantify the cognitive effort during inference. Across LLMs and datasets, HyperLens reveals a consistent divergence in confidence trajectories that separates complex from simple tasks. We abstract this pattern into a quantitative cognitive effort metric. Our analysis reveals a fundamental principle: complex tasks consistently require higher cognitive effort. Finally, we provide a mechanistic diagnosis of a common side effect of standard Supervised Fine-Tuning (SFT): it can reduce cognitive effort and consequently degrade performance on in-domain tasks.

Xiaoyu Fan, Huizhi Xie, Wei Zou et al.

Large language model (LLM)-based text-to-speech (TTS) systems achieve remarkable naturalness via autoregressive (AR) decoding, but require N sequential steps to generate N speech tokens. We present LLaDA-TTS, which replaces the AR LLM with a masked diffusion model that completes generation in a fixed number of parallel steps, decoupling inference latency from sequence length. Remarkably, using only 50 hours of fine-tuning data, we successfully transfer a pretrained AR checkpoint to the masked diffusion paradigm via bidirectional attention. At 64 steps, LLaDA-TTS achieves 0.98% CER (zh) and 1.96% WER (en) on Seed-TTS-Eval, matching the original CosyVoice 3 baseline performance while delivering a 2x LLM-stage speedup--a notable acceleration achieved despite the absence of KV cache, an optimization the AR baseline heavily relies on. Beyond acceleration, the bidirectional architecture naturally enables zero-shot speech editing--including word-level insertion, deletion, and substitution--without any additional training. Theoretically, we prove that AR-pretrained weights are near-optimal for bidirectional masked prediction under the locality property of acoustic tokens, explaining this rapid convergence. This general method modifies only the attention mask and objective, applying seamlessly to any LLM-based AR TTS system. Code and audio samples will be available at https://deft-piroshki-b652b5.netlify.app/.

Xiaoyu Fan, Lin Guo, Ruizhen Jia et al.

Artificial Intelligence (AI)-aided drug discovery is an active research field, yet AI models often exhibit poor accuracy in regression tasks for molecular property prediction, and perform catastrophically poorly for out-of-distribution (OOD) molecules. Here, we present MolRuleLoss, a substructure-substitution-rule-informed framework that improves the accuracy and generalizability of multiple molecular property regression models (MPRMs) such as GEM and UniMol for diverse molecular property prediction tasks. MolRuleLoss incorporates partial derivative constraints for substructure substitution rules (SSRs) into an MPRM's loss function. When using GEM models for predicting lipophilicity, water solubility, and solvation-free energy (using lipophilicity, ESOL, and freeSolv datasets from MoleculeNet), the root mean squared error (RMSE) values with and without MolRuleLoss were 0.587 vs. 0.660, 0.777 vs. 0.798, and 1.252 vs. 1.877, respectively, representing 2.6-33.3% performance improvements. We show that both the number and the quality of SSRs contribute to the magnitude of prediction accuracy gains obtained upon adding MolRuleLoss to an MPRM. MolRuleLoss improved the generalizability of MPRMs for "activity cliff" molecules in a lipophilicity prediction task and improved the generalizability of MPRMs for OOD molecules in a melting point prediction task. In a molecular weight prediction task for OOD molecules, MolRuleLoss reduced the RMSE value of a GEM model from 29.507 to 0.007. We also provide a formal demonstration that the upper bound of the variation for property change of SSRs is positively correlated with an MPRM's error. Together, we show that using the MolRuleLoss framework as a bolt-on boosts the prediction accuracy and generalizability of multiple MPRMs, supporting diverse applications in areas like cheminformatics and AI-aided drug discovery.

Chengda Lu, Xiaoyu Fan, Yu Huang et al. · uw

Jailbreak attacks have been observed to largely fail against recent reasoning models enhanced by Chain-of-Thought (CoT) reasoning. However, the underlying mechanism remains underexplored, and relying solely on reasoning capacity may raise security concerns. In this paper, we try to answer the question: Does CoT reasoning really reduce harmfulness from jailbreaking? Through rigorous theoretical analysis, we demonstrate that CoT reasoning has dual effects on jailbreaking harmfulness. Based on the theoretical insights, we propose a novel jailbreak method, FicDetail, whose practical performance validates our theoretical findings.

Zihao Hu, Xiaoyu Fan, Yuan Yao et al.

First-price auctions have recently gained significant traction in digital advertising markets, exemplified by Google's transition from second-price to first-price auctions. Unlike in second-price auctions, where bidding one's private valuation is a dominant strategy, determining an optimal bidding strategy in first-price auctions is more complex. From a learning perspective, the learner (a specific bidder) can interact with the environment (other bidders, i.e., opponents) sequentially to infer their behaviors. Existing research often assumes specific environmental conditions and benchmarks performance against the best fixed policy (static benchmark). While this approach ensures strong learning guarantees, the static benchmark can deviate significantly from the optimal strategy in environments with even mild non-stationarity. To address such scenarios, a dynamic benchmark--representing the sum of the highest achievable rewards at each time step--offers a more suitable objective. However, achieving no-regret learning with respect to the dynamic benchmark requires additional constraints. By inspecting reward functions in online first-price auctions, we introduce two metrics to quantify the regularity of the sequence of opponents' highest bids, which serve as measures of non-stationarity. We provide a minimax-optimal characterization of the dynamic regret for the class of sequences of opponents' highest bids that satisfy either of these regularity constraints. Our main technical tool is the Optimistic Mirror Descent (OMD) framework with a novel optimism configuration, which is well-suited for achieving minimax-optimal dynamic regret rates in this context. We then use synthetic datasets to validate our theoretical guarantees and demonstrate that our methods outperform existing ones.

Xiaoyu Fan, Guosai Wang, Kun Chen et al.

Privacy-preserving data mining has become an important topic. People have built several multi-party-computation (MPC)-based frameworks to provide theoretically guaranteed privacy, the poor performance of real-world algorithms have always been a challenge. Using Principal Component Analysis (PCA) as an example, we show that by considering the unique performance characters of the MPC platform, we can design highly effective algorithm-level optimizations, such as replacing expensive operators and batching up. We achieve about 200$\times$ performance boost over existing privacy-preserving PCA algorithms with the same level of privacy guarantee. Also, using real-world datasets, we show that by combining multi-party data, we can achieve better training results.