MTRL-SCIJul 23, 2024
CrysToGraph: A Comprehensive Predictive Model for Crystal Materials Properties and the BenchmarkHongyi Wang, Ji Sun, Jinzhe Liang et al.
The ionic bonding across the lattice and ordered microscopic structures endow crystals with unique symmetry and determine their macroscopic properties. Unconventional crystals, in particular, exhibit non-traditional lattice structures or possess exotic physical properties, making them intriguing subjects for investigation. Therefore, to accurately predict the physical and chemical properties of crystals, it is crucial to consider long-range orders. While GNN excels at capturing the local environment of atoms in crystals, they often face challenges in effectively capturing longer-ranged interactions due to their limited depth. In this paper, we propose CrysToGraph ($\textbf{Crys}$tals with $\textbf{T}$ransformers $\textbf{o}$n $\textbf{Graph}$s), a novel transformer-based geometric graph network designed specifically for unconventional crystalline systems, and UnconvBench, a comprehensive benchmark to evaluate models' predictive performance on unconventional crystal materials such as defected crystals, low-dimension crystals and MOF. CrysToGraph effectively captures short-range interactions with transformer-based graph convolution blocks as well as long-range interactions with graph-wise transformer blocks. CrysToGraph proofs its effectiveness in modelling unconventional crystal materials in multiple tasks, and moreover, it outperforms most existing methods, achieving new state-of-the-art results on the benchmarks of both unconventional crystals and traditional crystals.
16.0LGApr 27
Hindsight Preference Optimization for Financial Time Series AdvisoryYanwei Cui, Guanghui Wang, Xing Zhang et al.
Time series models predict numbers; decision-makers need advisory -- directional signals with reasoning, actionable suggestions, and risk management. Training language models for such predictive advisory faces a fundamental challenge: quality depends on outcomes unknown at prediction time. We bridge two ideas from reinforcement learning -- using information unavailable during execution to retrospectively generate training signal, and preference alignment -- and propose Hindsight Preference Optimization: observed outcomes let an LLM judge rank candidate advisories on dimensions that scalar metrics cannot capture, producing preference pairs for DPO without human annotation. We apply this to Vision-Language-Model-based predictive advisories on S&P 500 equity time series, demonstrated by a 4B model outperforming its 235B teacher on both accuracy and advisory quality.
CLOct 9, 2025
Benchmarking Chinese Commonsense Reasoning with a Multi-hop Reasoning PerspectiveWangjie You, Xusheng Wang, Xing Wang et al.
While Large Language Models (LLMs) have demonstrated advanced reasoning capabilities, their comprehensive evaluation in general Chinese-language contexts remains understudied. To bridge this gap, we propose Chinese Commonsense Multi-hop Reasoning (CCMOR), a novel benchmark designed to evaluate LLMs' ability to integrate Chinese-specific factual knowledge with multi-step logical reasoning. Specifically, we first construct a domain-balanced seed set from existing QA datasets, then develop an LLM-powered pipeline to generate multi-hop questions anchored on factual unit chains. To ensure the quality of resulting dataset, we implement a human-in-the-loop verification system, where domain experts systematically validate and refine the generated questions. Using CCMOR, we evaluate state-of-the-art LLMs, demonstrating persistent limitations in LLMs' ability to process long-tail knowledge and execute knowledge-intensive reasoning. Notably, retrieval-augmented generation substantially mitigates these knowledge gaps, yielding significant performance gains.