A large-scale nanocrystal database with aligned synthesis and properties enabling generative inverse design

The synthesis of nanocrystals has been highly dependent on trial-and-error, due to the complex correlation between synthesis parameters and physicochemical properties. Although deep learning offers a potential methodology to achieve generative inverse design, it is still hindered by the scarcity of high-quality datasets that align nanocrystal synthesis routes with their properties. Here, we present the construction of a large-scale, aligned Nanocrystal Synthesis-Property (NSP) database and demonstrate its capability for generative inverse design. To extract structured synthesis routes and their corresponding product properties from literature, we develop NanoExtractor, a large language model (LLM) enhanced by well-designed augmentation strategies. NanoExtractor is validated against human experts, achieving a weighted average score of 88% on the test set, significantly outperforming chemistry-specialized (3%) and general-purpose LLMs (38%). The resulting NSP database contains nearly 160,000 aligned entries and serves as training data for our NanoDesigner, an LLM for inverse synthesis design. The generative capability of NanoDesigner is validated through the successful design of viable synthesis routes for both well-established PbSe nanocrystals and rarely reported MgF2 nanocrystals. Notably, the model recommends a counter-intuitive, non-stoichiometric precursor ratio (1:1) for MgF2 nanocrystals, which is experimentally confirmed as critical for suppressing byproducts. Our work bridges the gap between unstructured literature and data-driven synthesis, and also establishes a powerful human-AI collaborative paradigm for accelerating nanocrystal discovery.

Automated Post-Incident Policy Gap Analysis via Threat-Informed Evidence Mapping using Large Language Models

Cybersecurity post-incident reviews are essential for identifying control failures and improving organisational resilience, yet they remain labour-intensive, time-consuming, and heavily reliant on expert judgment. This paper investigates whether Large Language Models (LLMs) can augment post-incident review workflows by autonomously analysing system evidence and identifying security policy gaps. We present a threat-informed, agentic framework that ingests log data, maps observed behaviours to the MITRE ATT&CK framework, and evaluates organisational security policies for adequacy and compliance. Using a simulated brute-force attack scenario against a Windows OpenSSH service (MITRE ATT&CK T1110), the system leverages GPT-4o for reasoning, LangGraph for multi-agent workflow orchestration, and LlamaIndex for traceable policy retrieval. Experimental results indicate that the LLM-based pipeline can interpret log-derived evidence, identify insufficient or missing policy controls, and generate actionable remediation recommendations with explicit evidence-to-policy traceability. Unlike prior work that treats log analysis and policy validation as isolated tasks, this study integrates both into a unified end-to-end proof-of-concept post-incident review framework. The findings suggest that LLM-assisted analysis has the potential to improve the efficiency, consistency, and auditability of post-incident evaluations, while highlighting the continued need for human oversight in high-stakes cybersecurity decision-making.

LLM Collusion

We study how delegating pricing to large language models (LLMs) can facilitate collusion in a duopoly when both sellers rely on the same pre-trained model. The LLM is characterized by (i) a propensity parameter capturing its internal bias toward high-price recommendations and (ii) an output-fidelity parameter measuring how tightly outputs track that bias; the propensity evolves through retraining. We show that configuring LLMs for robustness and reproducibility can induce collusion via a phase transition: there exists a critical output-fidelity threshold that pins down long-run behavior. Below it, competitive pricing is the unique long-run outcome. Above it, the system is bistable, with competitive and collusive pricing both locally stable and the realized outcome determined by the model's initial preference. The collusive regime resembles tacit collusion: prices are elevated on average, yet occasional low-price recommendations provide plausible deniability. With perfect fidelity, full collusion emerges from any interior initial condition. For finite training batches of size $b$, infrequent retraining (driven by computational costs) further amplifies collusion: conditional on starting in the collusive basin, the probability of collusion approaches one as $b$ grows, since larger batches dampen stochastic fluctuations that might otherwise tip the system toward competition. The indeterminacy region shrinks at rate $O(1/\sqrt{b})$.

SongSage: A Large Musical Language Model with Lyric Generative Pre-training

Large language models have achieved significant success in various domains, yet their understanding of lyric-centric knowledge has not been fully explored. In this work, we first introduce PlaylistSense, a dataset to evaluate the playlist understanding capability of language models. PlaylistSense encompasses ten types of user queries derived from common real-world perspectives, challenging LLMs to accurately grasp playlist features and address diverse user intents. Comprehensive evaluations indicate that current general-purpose LLMs still have potential for improvement in playlist understanding. Inspired by this, we introduce SongSage, a large musical language model equipped with diverse lyric-centric intelligence through lyric generative pretraining. SongSage undergoes continual pretraining on LyricBank, a carefully curated corpus of 5.48 billion tokens focused on lyrical content, followed by fine-tuning with LyricBank-SFT, a meticulously crafted instruction set comprising 775k samples across nine core lyric-centric tasks. Experimental results demonstrate that SongSage exhibits a strong understanding of lyric-centric knowledge, excels in rewriting user queries for zero-shot playlist recommendations, generates and continues lyrics effectively, and performs proficiently across seven additional capabilities. Beyond its lyric-centric expertise, SongSage also retains general knowledge comprehension and achieves a competitive MMLU score. We will keep the datasets inaccessible due to copyright restrictions and release the SongSage and training script to ensure reproducibility and support music AI research and applications, the datasets release plan details are provided in the appendix.

ScienceDB AI: An LLM-Driven Agentic Recommender System for Large-Scale Scientific Data Sharing Services

The rapid growth of AI for Science (AI4S) has underscored the significance of scientific datasets, leading to the establishment of numerous national scientific data centers and sharing platforms. Despite this progress, efficiently promoting dataset sharing and utilization for scientific research remains challenging. Scientific datasets contain intricate domain-specific knowledge and contexts, rendering traditional collaborative filtering-based recommenders inadequate. Recent advances in Large Language Models (LLMs) offer unprecedented opportunities to build conversational agents capable of deep semantic understanding and personalized recommendations. In response, we present ScienceDB AI, a novel LLM-driven agentic recommender system developed on Science Data Bank (ScienceDB), one of the largest global scientific data-sharing platforms. ScienceDB AI leverages natural language conversations and deep reasoning to accurately recommend datasets aligned with researchers' scientific intents and evolving requirements. The system introduces several innovations: a Scientific Intention Perceptor to extract structured experimental elements from complicated queries, a Structured Memory Compressor to manage multi-turn dialogues effectively, and a Trustworthy Retrieval-Augmented Generation (Trustworthy RAG) framework. The Trustworthy RAG employs a two-stage retrieval mechanism and provides citable dataset references via Citable Scientific Task Record (CSTR) identifiers, enhancing recommendation trustworthiness and reproducibility. Through extensive offline and online experiments using over 10 million real-world datasets, ScienceDB AI has demonstrated significant effectiveness. To our knowledge, ScienceDB AI is the first LLM-driven conversational recommender tailored explicitly for large-scale scientific dataset sharing services. The platform is publicly accessible at: https://ai.scidb.cn/en.

Harm in AI-Driven Societies: An Audit of Toxicity Adoption on Chirper.ai

Large Language Models (LLMs) are increasingly embedded in autonomous agents that participate in online social ecosystems, where interactions are sequential, cumulative, and only partially controlled. While prior work has documented the generation of toxic content by LLMs, far less is known about how exposure to harmful content shapes agent behavior over time, particularly in environments composed entirely of interacting AI agents. In this work, we study toxicity adoption of LLM-driven agents on Chirper.ai, a fully AI-driven social platform. Specifically, we model interactions in terms of stimuli (posts) and responses (comments), and by operationalizing exposure through observable interactions rather than inferred recommendation mechanisms. We conduct a large-scale empirical analysis of agent behavior, examining how response toxicity relates to stimulus toxicity, how repeated exposure affects the likelihood of toxic responses, and whether toxic behavior can be predicted from exposure alone. Our findings show that while toxic responses are more likely following toxic stimuli, a substantial fraction of toxicity emerges spontaneously, independent of exposure. At the same time, cumulative toxic exposure significantly increases the probability of toxic responding. We further introduce two influence metrics, the Influence-Driven Response Rate and the Spontaneous Response Rate, revealing a strong trade-off between induced and spontaneous toxicity. Finally, we show that the number of toxic stimuli alone enables accurate prediction of whether an agent will eventually produce toxic content. These results highlight exposure as a critical risk factor in the deployment of LLM agents and suggest that monitoring encountered content may provide a lightweight yet effective mechanism for auditing and mitigating harmful behavior in the wild.

Socially-Aware Recommender Systems Mitigate Opinion Clusterization

Recommender systems shape online interactions by matching users with creators content to maximize engagement. Creators, in turn, adapt their content to align with users preferences and enhance their popularity. At the same time, users preferences evolve under the influence of both suggested content from the recommender system and content shared within their social circles. This feedback loop generates a complex interplay between users, creators, and recommender algorithms, which is the key cause of filter bubbles and opinion polarization. We develop a social network-aware recommender system that explicitly accounts for this user-creators feedback interaction and strategically exploits the topology of the user's own social network to promote diversification. Our approach highlights how accounting for and exploiting user's social network in the recommender system design is crucial to mediate filter bubble effects while balancing content diversity with personalization. Provably, opinion clusterization is positively correlated with the influence of recommended content on user opinions. Ultimately, the proposed approach shows the power of socially-aware recommender systems in combating opinion polarization and clusterization phenomena.

Traffic-Aware Optimal Taxi Placement Using Graph Neural Network-Based Reinforcement Learning

In the context of smart city transportation, efficient matching of taxi supply with passenger demand requires real-time integration of urban traffic network data and mobility patterns. Conventional taxi hotspot prediction models often rely solely on historical demand, overlooking dynamic influences such as traffic congestion, road incidents, and public events. This paper presents a traffic-aware, graph-based reinforcement learning (RL) framework for optimal taxi placement in metropolitan environments. The urban road network is modeled as a graph where intersections represent nodes, road segments serve as edges, and node attributes capture historical demand, event proximity, and real-time congestion scores obtained from live traffic APIs. Graph Neural Network (GNN) embeddings are employed to encode spatial-temporal dependencies within the traffic network, which are then used by a Q-learning agent to recommend optimal taxi hotspots. The reward mechanism jointly optimizes passenger waiting time, driver travel distance, and congestion avoidance. Experiments on a simulated Delhi taxi dataset, generated using real geospatial boundaries and historic ride-hailing request patterns, demonstrate that the proposed model reduced passenger waiting time by about 56% and reduced travel distance by 38% compared to baseline stochastic selection. The proposed approach is adaptable to multi-modal transport systems and can be integrated into smart city platforms for real-time urban mobility optimization.

AlignUSER: Human-Aligned LLM Agents via World Models for Recommender System Evaluation

Evaluating recommender systems remains challenging due to the gap between offline metrics and real user behavior, as well as the scarcity of interaction data. Recent work explores large language model (LLM) agents as synthetic users, yet they typically rely on few-shot prompting, which yields a shallow understanding of the environment and limits their ability to faithfully reproduce user actions. We introduce AlignUSER, a framework that learns world-model-driven agents from human interactions. Given rollout sequences of actions and states, we formalize world modeling as a next state prediction task that helps the agent internalize the environment. To align actions with human personas, we generate counterfactual trajectories around demonstrations and prompt the LLM to compare its decisions with human choices, identify suboptimal actions, and extract lessons. The learned policy is then used to drive agent interactions with the recommender system. We evaluate AlignUSER across multiple datasets and demonstrate closer alignment with genuine humans than prior work, both at the micro and macro levels.

Comparative Efficiency Analysis of Lightweight Transformer Models: A Multi-Domain Empirical Benchmark for Enterprise NLP Deployment

In the rapidly evolving landscape of enterprise natural language processing (NLP), the demand for efficient, lightweight models capable of handling multi-domain text automation tasks has intensified. This study conducts a comparative analysis of three prominent lightweight Transformer models - DistilBERT, MiniLM, and ALBERT - across three distinct domains: customer sentiment classification, news topic classification, and toxicity and hate speech detection. Utilizing datasets from IMDB, AG News, and the Measuring Hate Speech corpus, we evaluated performance using accuracy-based metrics including accuracy, precision, recall, and F1-score, as well as efficiency metrics such as model size, inference time, throughput, and memory usage. Key findings reveal that no single model dominates all performance dimensions. ALBERT achieves the highest task-specific accuracy in multiple domains, MiniLM excels in inference speed and throughput, and DistilBERT demonstrates the most consistent accuracy across tasks while maintaining competitive efficiency. All results reflect controlled fine-tuning under fixed enterprise-oriented constraints rather than exhaustive hyperparameter optimization. These results highlight trade-offs between accuracy and efficiency, recommending MiniLM for latency-sensitive enterprise applications, DistilBERT for balanced performance, and ALBERT for resource-constrained environments.