Daily Papers

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Recent advancements in large language models (LLMs) have showcased significant improvements in mathematics. However, traditional math benchmarks like GSM8k offer a unidimensional perspective, falling short in providing a holistic assessment of the LLMs' math capabilities. To address this gap, we introduce MathBench, a new benchmark that rigorously assesses the mathematical capabilities of large language models. MathBench spans a wide range of mathematical disciplines, offering a detailed evaluation of both theoretical understanding and practical problem-solving skills. The benchmark progresses through five distinct stages, from basic arithmetic to college mathematics, and is structured to evaluate models at various depths of knowledge. Each stage includes theoretical questions and application problems, allowing us to measure a model's mathematical proficiency and its ability to apply concepts in practical scenarios. MathBench aims to enhance the evaluation of LLMs' mathematical abilities, providing a nuanced view of their knowledge understanding levels and problem solving skills in a bilingual context. The project is released at https://github.com/open-compass/MathBench .

Nowadays large language models (LLMs) have shown revolutionary power in a variety of natural language processing (NLP) tasks such as text classification, sentiment analysis, language translation, and question-answering. In this way, detecting machine-generated texts (MGTs) is becoming increasingly important as LLMs become more advanced and prevalent. These models can generate human-like language that can be difficult to distinguish from text written by a human, which raises concerns about authenticity, accountability, and potential bias. However, existing detection methods against MGTs are evaluated under different model architectures, datasets, and experimental settings, resulting in a lack of a comprehensive evaluation framework across different methodologies In this paper, we fill this gap by proposing the first benchmark framework for MGT detection, named MGTBench. Extensive evaluations on public datasets with curated answers generated by ChatGPT (the most representative and powerful LLMs thus far) show that most of the current detection methods perform less satisfactorily against MGTs. An exceptional case is ChatGPT Detector, which is trained with ChatGPT-generated texts and shows great performance in detecting MGTs. Nonetheless, we note that only a small fraction of adversarial-crafted perturbations on MGTs can evade the ChatGPT Detector, thus highlighting the need for more robust MGT detection methods. We envision that MGTBench will serve as a benchmark tool to accelerate future investigations involving the evaluation of state-of-the-art MGT detection methods on their respective datasets and the development of more advanced MGT detection methods. Our source code and datasets are available at https://github.com/xinleihe/MGTBench.