Yulin He

Kavana Venkatesh, Yinhan He, Jundong Li et al.

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer interpretability but struggle to integrate rich individual-level signals and non-stationary behaviors. We propose PhysicsAgentABM, which shifts inference to behaviorally coherent agent clusters: state-specialized symbolic agents encode mechanistic transition priors, a multimodal neural transition model captures temporal and interaction dynamics, and uncertainty-aware epistemic fusion yields calibrated cluster-level transition distributions. Individual agents then stochastically realize transitions under local constraints, decoupling population inference from entity-level variability. We further introduce ANCHOR, an LLM agent-driven clustering strategy based on cross-contextual behavioral responses and a novel contrastive loss, reducing LLM calls by up to 6-8 times. Experiments across public health, finance, and social sciences show consistent gains in event-time accuracy and calibration over mechanistic, neural, and LLM baselines. By re-architecting generative ABM around population-level inference with uncertainty-aware neuro-symbolic fusion, PhysicsAgentABM establishes a new paradigm for scalable and calibrated simulation with LLMs.

Zhenyu Lei, Patrick Soga, Yaochen Zhu et al.

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating structural representations (e.g., SMILES strings, molecular graphs) with rich contextual descriptions (e.g., physicochemical properties). However, MoLMs can encode and propagate inaccuracies due to outdated web-mined training corpora or malicious manipulation, jeopardizing downstream discovery pipelines. While knowledge editing has been explored for general-domain AI, its application to MoLMs remains uncharted, presenting unique challenges due to the multifaceted and interdependent nature of molecular knowledge. In this paper, we take the first step toward MoLM editing for two critical tasks: molecule-to-caption generation and caption-to-molecule generation. To address molecule-specific challenges, we propose MolEdit, a powerful framework that enables targeted modifications while preserving unrelated molecular knowledge. MolEdit combines a Multi-Expert Knowledge Adapter that routes edits to specialized experts for different molecular facets with an Expertise-Aware Editing Switcher that activates the adapters only when input closely matches the stored edits across all expertise, minimizing interference with unrelated knowledge. To systematically evaluate editing performance, we introduce MEBench, a comprehensive benchmark assessing multiple dimensions, including Reliability (accuracy of the editing), Locality (preservation of irrelevant knowledge), and Generality (robustness to reformed queries). Across extensive experiments on two popular MoLM backbones, MolEdit delivers up to 18.8% higher Reliability and 12.0% better Locality than baselines while maintaining efficiency. The code is available at: https://github.com/LzyFischer/MolEdit.

Kangsheng Yin, Quan Liu, Xuelin Shen et al.

The image compression model has long struggled with adaptability and generalization, as the decoded bitstream typically serves only human or machine needs and fails to preserve information for unseen visual tasks. Therefore, this paper innovatively introduces supervision obtained from multimodal pre-training models and incorporates adaptive multi-objective optimization tailored to support both human visual perception and machine vision simultaneously with a single bitstream, denoted as Unified and Generalized Image Coding for Machine (UG-ICM). Specifically, to get rid of the reliance between compression models with downstream task supervision, we introduce Contrastive Language-Image Pre-training (CLIP) models into the training constraint for improved generalization. Global-to-instance-wise CLIP supervision is applied to help obtain hierarchical semantics that make models more generalizable for the tasks relying on the information of different granularity. Furthermore, for supporting both human and machine visions with only a unifying bitstream, we incorporate a conditional decoding strategy that takes as conditions human or machine preferences, enabling the bitstream to be decoded into different versions for corresponding preferences. As such, our proposed UG-ICM is fully trained in a self-supervised manner, i.e., without awareness of any specific downstream models and tasks. The extensive experiments have shown that the proposed UG-ICM is capable of achieving remarkable improvements in various unseen machine analytics tasks, while simultaneously providing perceptually satisfying images.

Xin Luo, Wei Chen, Yusong Tan et al.

It is desirable to transfer the knowledge stored in a well-trained source model onto non-annotated target domain in the absence of source data. However, state-of-the-art methods for source free domain adaptation (SFDA) are subject to strict limits: 1) access to internal specifications of source models is a must; and 2) pseudo labels should be clean during self-training, making critical tasks relying on semantic segmentation unreliable. Aiming at these pitfalls, this study develops a domain adaptive solution to semantic segmentation with pseudo label rectification (namely \textit{PR-SFDA}), which operates in two phases: 1) \textit{Confidence-regularized unsupervised learning}: Maximum squares loss applies to regularize the target model to ensure the confidence in prediction; and 2) \textit{Noise-aware pseudo label learning}: Negative learning enables tolerance to noisy pseudo labels in training, meanwhile positive learning achieves fast convergence. Extensive experiments have been performed on domain adaptive semantic segmentation benchmark, \textit{GTA5 $\to$ Cityscapes}. Overall, \textit{PR-SFDA} achieves a performance of 49.0 mIoU, which is very close to that of the state-of-the-art counterparts. Note that the latter demand accesses to the source model's internal specifications, whereas the \textit{PR-SFDA} solution needs none as a sharp contrast.

Salman Salloum, Yulin He, Joshua Zhexue Huang et al.

Big data sets must be carefully partitioned into statistically similar data subsets that can be used as representative samples for big data analysis tasks. In this paper, we propose the random sample partition (RSP) data model to represent a big data set as a set of non-overlapping data subsets, called RSP data blocks, where each RSP data block has a probability distribution similar to the whole big data set. Under this data model, efficient block level sampling is used to randomly select RSP data blocks, replacing expensive record level sampling to select sample data from a big distributed data set on a computing cluster. We show how RSP data blocks can be employed to estimate statistics of a big data set and build models which are equivalent to those built from the whole big data set. In this approach, analysis of a big data set becomes analysis of few RSP data blocks which have been generated in advance on the computing cluster. Therefore, the new method for data analysis based on RSP data blocks is scalable to big data.