Augmenting x-ray single particle imaging reconstruction with self-supervised machine learningZhantao Chen, Cong Wang, Mingye Gao et al.
The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological particles in their natural physiological states with unparalleled temporal resolution, while circumventing the need for cryogenic conditions or crystallization. However, reconstructing real-space structures from reciprocal-space x-ray diffraction data is highly challenging due to the absence of phase and orientation information, which is further complicated by weak scattering signals and considerable fluctuations in the number of photons per pulse. In this work, we present an end-to-end, self-supervised machine learning approach to recover particle orientations and estimate reciprocal space intensities from diffraction images only. Our method demonstrates great robustness under demanding experimental conditions with significantly enhanced reconstruction capabilities compared with conventional algorithms, and signifies a paradigm shift in SPI as currently practiced at XFELs.
9.6CLJan 26, 2025
Data-adaptive Safety Rules for Training Reward ModelsXiaomin Li, Mingye Gao, Zhiwei Zhang et al.
Reinforcement Learning from Human Feedback (RLHF) is commonly employed to tailor models to human preferences, especially to improve the safety of outputs from large language models (LLMs). Traditionally, this method depends on selecting preferred responses from pairs. However, due to the variability in human opinions and the challenges in directly comparing two responses, there is an increasing trend towards fine-grained annotation approaches that evaluate responses using multiple targeted metrics or rules. The challenge lies in efficiently choosing and applying these rules to handle the diverse range of preference data. In this paper, we propose a dynamic method that adaptively selects the most important rules for each response pair. We introduce a mathematical framework that utilizes the maximum discrepancy across paired responses and demonstrate theoretically that this approach maximizes the mutual information between the rule-based annotations and the underlying true preferences. We then train an 8B reward model using this adaptively labeled preference dataset and assess its efficacy using RewardBench. As of January 25, 2025, our model achieved the highest safety performance on the leaderboard, surpassing various larger models.
Mitigating Biases in Toxic Language Detection through Invariant RationalizationYung-Sung Chuang, Mingye Gao, Hongyin Luo et al.
Automatic detection of toxic language plays an essential role in protecting social media users, especially minority groups, from verbal abuse. However, biases toward some attributes, including gender, race, and dialect, exist in most training datasets for toxicity detection. The biases make the learned models unfair and can even exacerbate the marginalization of people. Considering that current debiasing methods for general natural language understanding tasks cannot effectively mitigate the biases in the toxicity detectors, we propose to use invariant rationalization (InvRat), a game-theoretic framework consisting of a rationale generator and a predictor, to rule out the spurious correlation of certain syntactic patterns (e.g., identity mentions, dialect) to toxicity labels. We empirically show that our method yields lower false positive rate in both lexical and dialectal attributes than previous debiasing methods.