3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers, they overlook the advantages of 1D SELFIES-based Language Models (LMs), which can generate 100% valid molecules and leverage the billion-scale 1D molecule datasets. To combine these advantages for 3D molecule generation, we propose a foundation model -- NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation. NExT-Mol uses an extensively pretrained molecule LM for 1D molecule generation, and subsequently predicts the generated molecule's 3D conformers with a 3D diffusion model. We enhance NExT-Mol's performance by scaling up the LM's model size, refining the diffusion neural architecture, and applying 1D to 3D transfer learning. Notably, our 1D molecule LM significantly outperforms baselines in distributional similarity while ensuring validity, and our 3D diffusion model achieves leading performances in conformer prediction. Given these improvements in 1D and 3D modeling, NExT-Mol achieves a 26% relative improvement in 3D FCD for de novo 3D generation on GEOM-DRUGS, and a 13% average relative gain for conditional 3D generation on QM9-2014. Our codes and pretrained checkpoints are available at https://github.com/acharkq/NExT-Mol.

Differentially private diffusion models (DPDMs) harness the remarkable generative capabilities of diffusion models while enforcing differential privacy (DP) for sensitive data. However, existing DPDM training approaches often suffer from significant utility loss, large memory footprint, and expensive inference cost, impeding their practical uses. To overcome such limitations, we present RAPID: Retrieval Augmented PrIvate Diffusion model, a novel approach that integrates retrieval augmented generation (RAG) into DPDM training. Specifically, RAPID leverages available public data to build a knowledge base of sample trajectories; when training the diffusion model on private data, RAPID computes the early sampling steps as queries, retrieves similar trajectories from the knowledge base as surrogates, and focuses on training the later sampling steps in a differentially private manner. Extensive evaluation using benchmark datasets and models demonstrates that, with the same privacy guarantee, RAPID significantly outperforms state-of-the-art approaches by large margins in generative quality, memory footprint, and inference cost, suggesting that retrieval-augmented DP training represents a promising direction for developing future privacy-preserving generative models. The code is available at: https://github.com/TanqiuJiang/RAPID

The application of reinforcement learning (RL) to dynamic resource allocation in optical networks has been the focus of intense research activity in recent years, with almost 100 peer-reviewed papers. We present a review of progress in the field, and identify significant gaps in benchmarking practices and reproducibility. To determine the strongest benchmark algorithms, we systematically evaluate several heuristics across diverse network topologies. We find that path count and sort criteria for path selection significantly affect the benchmark performance. We meticulously recreate the problems from five landmark papers and apply the improved benchmarks. Our comparisons demonstrate that simple heuristics consistently match or outperform the published RL solutions, often with an order of magnitude lower blocking probability. Furthermore, we present empirical lower bounds on network blocking using a novel defragmentation-based method, revealing that potential improvements over the benchmark heuristics are limited to 19--36\% increased traffic load for the same blocking performance in our examples. We make our simulation framework and results publicly available to promote reproducible research and standardized evaluation https://doi.org/10.5281/zenodo.12594495.

In-band network telemetry (INT) is essential to network management due to its real-time visibility. However, because of the rapid increase in network devices and services, it has become crucial to have targeted access to detailed network information in a dynamic network environment. This paper proposes an intelligent network telemetry system called NTP-INT to obtain more fine-grained network information on high-load switches. Specifically, NTP-INT consists of three modules: network traffic prediction module, network pruning module, and probe path planning module. Firstly, the network traffic prediction module adopts a Multi-Temporal Graph Neural Network (MTGNN) to predict future network traffic and identify high-load switches. Then, we design the network pruning algorithm to generate a subnetwork covering all high-load switches to reduce the complexity of probe path planning. Finally, the probe path planning module uses an attention-mechanism-based deep reinforcement learning (DEL) model to plan efficient probe paths in the network slice. The experimental results demonstrate that NTP-INT can acquire more precise network information on high-load switches while decreasing the control overhead by 50\%.

While Large Language Models (LLMs) adapt well to downstream tasks after fine-tuning, this adaptability often compromises prompt robustness, as even minor prompt variations can significantly degrade performance. To address this, we propose Prompt-Agnostic Fine-Tuning(PAFT), a simple yet effective approach that dynamically adjusts prompts during fine-tuning. This encourages the model to learn underlying task principles rather than overfitting to specific prompt formulations. PAFT operates in two stages: First, a diverse set of meaningful, synthetic candidate prompts is constructed. Second, during fine-tuning, prompts are randomly sampled from this set to create dynamic training inputs. Extensive experiments across diverse datasets and LLMs demonstrate that models trained with PAFT exhibit strong robustness and generalization across a wide range of prompts, including unseen ones. This enhanced robustness improves both model performance and inference speed while maintaining training efficiency. Ablation studies further confirm the effectiveness of PAFT.

Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs, prompting a surge of researches focusing on improving database systems through GNN-based approaches. However, despite notable advances, There is a lack of a comprehensive review and understanding of how GNNs could improve DB systems. Therefore, this survey aims to bridge this gap by providing a structured and in-depth overview of GNNs for DB systems. Specifically, we propose a new taxonomy that classifies existing methods into two key categories: (1) Relational Databases, which includes tasks like performance prediction, query optimization, and text-to-SQL, and (2) Graph Databases, addressing challenges like efficient graph query processing and graph similarity computation. We systematically review key methods in each category, highlighting their contributions and practical implications. Finally, we suggest promising avenues for integrating GNNs into Database systems.

Limited by the context window size of Large Language Models(LLMs), handling various tasks with input tokens exceeding the upper limit has been challenging, whether it is a simple direct retrieval task or a complex multi-hop reasoning task. Although various methods have been proposed to enhance the long-context processing capabilities of LLMs, they either incur substantial post-training costs, or require additional tool modules(e.g.,RAG), or have not shown significant improvement in realistic tasks. Our work observes the correlation between the attention distribution and generated answers across each layer, and establishes the attention allocation aligns with retrieval-augmented capabilities through experiments. Drawing on the above insights, we propose a novel method InfiniRetri that leverages the LLMs's own attention information to enable accurate retrieval across inputs of infinitely length. Our evaluations indicate that InfiniRetri achieves 100% accuracy in the Needle-In-a-Haystack(NIH) test over 1M tokens using a 0.5B parameter model, surpassing other method or larger models and setting a new state-of-the-art(SOTA). Moreover, our method achieves significant performance improvements on real-world benchmarks, with a maximum 288% improvement. In addition, InfiniRetri can be applied to any Transformer-based LLMs without additional training and substantially reduces inference latency and compute overhead in long texts. In summary, our comprehensive studies show InfiniRetri's potential for practical applications and creates a paradigm for retrievaling information using LLMs own capabilities under infinite-length tokens. Code will be released in link.

The basic underlying assumption of machine learning (ML) models is that the training and test data are sampled from the same distribution. However, in daily practice, this assumption is often broken, i.e.~the distribution of the test data changes over time, which hinders the application of conventional ML models. One domain where the distribution shift naturally occurs is text classification, since people always find new topics to discuss. To this end, we survey research articles studying open-set text classification and related tasks. We divide the methods in this area based on the constraints that define the kind of distribution shift and the corresponding problem formulation, i.e.~learning with the Universum, zero-shot learning, and open-set learning. We next discuss the predominant mitigation approaches for each problem setup. Finally, we identify several future work directions, aiming to push the boundaries beyond the state of the art. Interestingly, we find that continual learning can solve many of the issues caused by the shifting class distribution. We maintain a list of relevant papers at https://github.com/Eduard6421/Open-Set-Survey.

Role-Playing Agent (RPA) is an increasingly popular type of LLM Agent that simulates human-like behaviors in a variety of tasks. However, evaluating RPAs is challenging due to diverse task requirements and agent designs. This paper proposes an evidence-based, actionable, and generalizable evaluation design guideline for LLM-based RPA by systematically reviewing 1,676 papers published between Jan. 2021 and Dec. 2024. Our analysis identifies six agent attributes, seven task attributes, and seven evaluation metrics from existing literature. Based on these findings, we present an RPA evaluation design guideline to help researchers develop more systematic and consistent evaluation methods.

The ability to use natural language to talk about visual content is at the core of human intelligence and a crucial feature of any artificial intelligence system. Various studies have focused on generating text for single images. In contrast, comparatively little attention has been paid to exhaustively analyzing and advancing work on multiple-image vision-to-text settings. In this position paper, we claim that any task dealing with temporally ordered sequences of multiple images or frames is an instance of a broader, more general problem involving the understanding of intricate relationships between the visual content and the corresponding text. We comprehensively analyze five tasks that are instances of this problem and argue that they pose a common set of challenges and share similarities in terms of modeling and evaluation approaches. Based on the insights from these various aspects and stages of multi-image-to-text generation, we highlight several open questions and suggest future research directions. We believe that these directions can advance the understanding of complex phenomena in this domain and the development of better models.