Implicit Neural Representations for Chemical Reaction Paths

We show that neural networks can be optimized to represent minimum energy paths as continuous functions, offering a flexible alternative to discrete path-search methods like Nudged Elastic Band (NEB). Our approach parameterizes reaction paths with a network trained on a loss function that discards tangential energy gradients and enables instant estimation of the transition state. We first validate the method on two-dimensional potentials and then demonstrate its advantages over NEB on challenging atomistic systems where (i) poor initial guesses yield unphysical paths, (ii) multiple competing paths exist, or (iii) the reaction follows a complex multi-step mechanism. Results highlight the versatility of the method -- for instance, a simple adjustment to the sampling strategy during optimization can help escape local-minimum solutions. Finally, in a low-dimensional setting, we demonstrate that a single neural network can learn from existing paths and generalize to unseen systems, showing promise for a universal reaction path representation.

Humanity's Last Exam

Benchmarks are important tools for tracking the rapid advancements in large language model (LLM) capabilities. However, benchmarks are not keeping pace in difficulty: LLMs now achieve over 90\% accuracy on popular benchmarks like MMLU, limiting informed measurement of state-of-the-art LLM capabilities. In response, we introduce Humanity's Last Exam (HLE), a multi-modal benchmark at the frontier of human knowledge, designed to be the final closed-ended academic benchmark of its kind with broad subject coverage. HLE consists of 3,000 questions across dozens of subjects, including mathematics, humanities, and the natural sciences. HLE is developed globally by subject-matter experts and consists of multiple-choice and short-answer questions suitable for automated grading. Each question has a known solution that is unambiguous and easily verifiable, but cannot be quickly answered via internet retrieval. State-of-the-art LLMs demonstrate low accuracy and calibration on HLE, highlighting a significant gap between current LLM capabilities and the expert human frontier on closed-ended academic questions. To inform research and policymaking upon a clear understanding of model capabilities, we publicly release HLE at https://lastexam.ai.

Temporal Label-Refinement for Weakly-Supervised Audio-Visual Event Localization

Audio-Visual Event Localization (AVEL) is the task of temporally localizing and classifying \emph{audio-visual events}, i.e., events simultaneously visible and audible in a video. In this paper, we solve AVEL in a weakly-supervised setting, where only video-level event labels (their presence/absence, but not their locations in time) are available as supervision for training. Our idea is to use a base model to estimate labels on the training data at a finer temporal resolution than at the video level and re-train the model with these labels. I.e., we determine the subset of labels for each \emph{slice} of frames in a training video by (i) replacing the frames outside the slice with those from a second video having no overlap in video-level labels, and (ii) feeding this synthetic video into the base model to extract labels for just the slice in question. To handle the out-of-distribution nature of our synthetic videos, we propose an auxiliary objective for the base model that induces more reliable predictions of the localized event labels as desired. Our three-stage pipeline outperforms several existing AVEL methods with no architectural changes and improves performance on a related weakly-supervised task as well.