Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based crystal generation approaches are limited to zero-shot scenarios and are unable to benefit from few-shot scenarios. In contrast, human experts typically design new materials by modifying relevant known structures which aligns closely with the few-shot ICL paradigm. Motivated by this, we propose CrystalICL, a novel model designed for few-shot crystal generation. Specifically, we introduce a space-group based crystal tokenization method, which effectively reduces the complexity of modeling crystal symmetry in LLMs. We further introduce a condition-structure aware hybrid instruction tuning framework and a multi-task instruction tuning strategy, enabling the model to better exploit ICL by capturing structure-property relationships from limited data. Extensive experiments on four crystal generation benchmarks demonstrate the superiority of CrystalICL over the leading baseline methods on conditional and unconditional generation tasks.

In this paper, we propose a model to schedule the next 24 hours of operations in a bulk cargo port to unload bulk cargo trains onto stockpiles. It is a problem that includes multiple parts such as splitting long trains into shorter ones and the routing of bulk material through a configurable network of conveyors to the stockpiles. Managing such trains (up to three kilometers long) also requires specialized equipment. The real world nature of the problem specification implies the necessity to manage heterogeneous data. Indeed, when new equipment is added (e.g. dumpers) or a new type of wagon comes in use, older or different equipment will still be in use as well. All these details need to be accounted for. In fact, avoiding a full deadlock of the facility after a new but ineffective schedule is produced. In this paper, we provide a detailed presentation of this real world problem and its associated data. This allows us to propose an effective constraint programming model to solve this problem. We also discuss the model design and the different implementations of the propagators that we used in practice. Finally, we show how this model, coupled with a large neighborhood search, was able to find 24 hour schedules efficiently.

The piled-up status of bulk material in a haul truck body determines the load balance, hence affects the mining operations’ efficiency. Prediction of Piled-up Status and Payload Distribution (PSPD) of bulk material contributes to providing optimal dumping positions to improve the vehicle’s stress state and service life. This work introduces a novel deep learning-based PSPD prediction method from images. A two-stage prediction-regression CNN model is designed to automatically extract image features to obtain the PSPD of the current state. The PSPD prediction is accomplished via a backward-propagation neural network (BPNN).