Augmenting x-ray single particle imaging reconstruction with self-supervised machine learning

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.

Natural Language Embedded Programs for Hybrid Language Symbolic Reasoning

How can we perform computations over natural language representations to solve tasks that require symbolic and numeric reasoning? We propose natural language embedded programs (NLEP) as a unifying framework for addressing math/symbolic reasoning, natural language understanding, and instruction following tasks. Our approach prompts a language model to generate full Python programs that define functions over data structures which contain natural language representations of structured knowledge. A Python interpreter then executes the generated code and prints the output. Despite using a task-general prompt, we find that this approach can improve upon strong baselines across a range of different tasks including math and symbolic reasoning, text classification, question answering, and instruction following. We further find the generated programs are often interpretable and enable post-hoc verification of the intermediate reasoning steps.

Mitigating Biases in Toxic Language Detection through Invariant Rationalization

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.