Abstract:Large language models (LLMs) excel at general-purpose code generation, yet how well they handle scientific code remains an open question. Existing datasets and benchmarks are limited in scale, domain coverage, or executable verification, leaving the true gap between current LLMs and reliable scientific code generators inadequately assessed. To address these limitations, we present SciCodePile, the largest scientific code corpus to date, constructed from 37,737 public repositories and collectively comprising 128GB of code that spans multiple computational science disciplines. From this corpus, we further curate an executable benchmark of 200 tasks, each equipped with a sandboxed execution environment and an automated test harness for functional verification. We evaluate 15 LLMs from both open-source and closed-source families on three tasks: prefix-to-suffix completion, fill-in-the-middle infilling, and executable code generation. Results show that scientific code generation remains highly challenging: The best CodeBLEU reaches only 38.13 and 38.37 on the two completion tasks, while the strongest model achieves just 12.30\% Pass@1 on the executable benchmark, underscoring how far current models remain from reliable scientific code generation. To demonstrate the training utility of SciCodePile, we further show that continued pretraining on our corpus improves CodeBLEU by $\times$2.84 on scientific code completion, and instruction tuning on our data improves Pass@1 by $\times$4.79 on the executable benchmark. All code and data are available at https://huggingface.co/SciCodePile.
Abstract:Quantum-inspired tensor networks algorithms have shown to be effective and efficient models for machine learning tasks, including anomaly detection. Here, we propose a highly parallelizable quantum-inspired approach which we call SMT-AD from Superposition of Multiresolution Tensors for Anomaly Detection. It is based upon the superposition of bond-dimension-1 matrix product operators to transform the input data with Fourier-assisted feature embedding, where the number of learnable parameters grows linearly with feature size, embedding resolutions, and the number of additional components in the matrix product operators structure. We demonstrate successful anomaly detection when applied to standard datasets, including credit card transactions, and find that, even with minimal configurations, it achieves competitive performance against established anomaly detection baselines. Furthermore, it provides a straightforward way to reduce the weight of the model and even improve the performance by highlighting the most relevant input features.
Abstract:Recent incidents have highlighted alarming cases where human-AI interactions led to negative psychological outcomes, including mental health crises and even user harm. As LLMs serve as sources of guidance, emotional support, and even informal therapy, these risks are poised to escalate. However, studying the mechanisms underlying harmful human-AI interactions presents significant methodological challenges, where organic harmful interactions typically develop over sustained engagement, requiring extensive conversational context that are difficult to simulate in controlled settings. To address this gap, we developed a Multi-Trait Subspace Steering (MultiTraitsss) framework that leverages established crisis-associated traits and novel subspace steering framework to generate Dark models that exhibits cumulative harmful behavioral patterns. Single-turn and multi-turn evaluations show that our dark models consistently produce harmful interaction and outcomes. Using our Dark models, we propose protective measure to reduce harmful outcomes in Human-AI interactions.
Abstract:Non-line-of-sight localization in signal-deprived environments is a challenging yet pertinent problem. Acoustic methods in such predominantly indoor scenarios encounter difficulty due to the reverberant nature. In this study, we aim to locate sound sources to specific locations within a virtual environment by leveraging physically grounded sound propagation simulations and machine learning methods. This process attempts to overcome the issue of data insufficiency to localize sound sources to their location of occurrence especially in post-event localization. We achieve 0.786+/- 0.0136 F1-score using an audio transformer spectrogram approach.




Abstract:Large Language Models (LLMs) have been applied to automate cyber security activities and processes including cyber investigation and digital forensics. However, the use of such models for cyber investigation and digital forensics should address accountability and security considerations. Accountability ensures models have the means to provide explainable reasonings and outcomes. This information can be extracted through explicit prompt requests. For security considerations, it is crucial to address privacy and confidentiality of the involved data during data processing as well. One approach to deal with this consideration is to have the data processed locally using a local instance of the model. Due to limitations of locally available resources, namely memory and GPU capacities, a Smaller Large Language Model (SLM) will typically be used. These SLMs have significantly fewer parameters compared to the LLMs. However, such size reductions have notable performance reduction, especially when tasked to provide reasoning explanations. In this paper, we aim to mitigate performance reduction through the integration of cognitive strategies that humans use for problem-solving. We term this as cognitive enhancement through prompts. Our experiments showed significant improvement gains of the SLMs' performances when such enhancements were applied. We believe that our exploration study paves the way for further investigation into the use of cognitive enhancement to optimize SLM for cyber security applications.