Abstract:Multi-objective optimization (MOO) has emerged as a powerful approach to solving complex optimization problems involving multiple objectives. In many practical scenarios, function evaluations are unavailable or prohibitively expensive, necessitating optimization solely based on a fixed offline dataset. In this setting, known as offline MOO, the goal is to find out the Pareto set without access to the true objective functions. This setting suffers from the out-of-distribution (OOD) issue, where the surrogate model is not accurate for unseen designs. Due to the OOD issue, surrogate errors may cause the optimizer to select solutions that do not lie on the true Pareto front and are biased toward its extremes. To address this, this paper proposes Diversity-driven Offline Multi-Objective Optimization (DOMOO), which aims to find out a diverse and high-quality set of solutions. First, DOMOO incorporates an accumulative risk control module that estimates the potential risk of candidate solutions and alleviates the OOD issue between the training data and the generated solutions. In addition, a nested Pareto set learning (PSL) strategy is proposed to jointly learn preference and PSL parameters, then optimize them, enabling adaptation to diverse Pareto front geometries. To further enhance solution quality, we design a diversity-driven selection strategy that extracts a representative and well-distributed set of final solutions. To achieve this diversity-driven selection strategy, we propose $\text{IGD}_\text{offline}$, a tailored indicator for the offline setting that considers both diversity and convergence, and avoids the bias of hypervolume indicator. Extensive experiments on synthetic and real-world benchmarks show that DOMOO achieves the best average rank across tasks in both convergence and diversity among the compared methods.
Abstract:Chemical laboratory automation has long been constrained by rigid workflows and poor adaptability to the long-tail distribution of experimental tasks. While most automated platforms perform well on a narrow set of standardized procedures, real laboratories involve diverse, infrequent, and evolving operations that fall outside predefined protocols. This mismatch prevents existing systems from generalizing to novel reaction conditions, uncommon instrument configurations, and unexpected procedural variations. We present a multi-agent robotic platform designed to address this long-tail challenge through collaborative task decomposition, dynamic scheduling, and adaptive control. The system integrates chemical perception for real-time reaction monitoring with feedback-driven execution, enabling it to adjust actions based on evolving experimental states rather than fixed scripts. Validation via acid-base titration demonstrates autonomous progress tracking, adaptive dispensing control, and reliable end-to-end experiment execution. By improving generalization across diverse laboratory scenarios, this platform provides a practical pathway toward intelligent, flexible, and scalable laboratory automation.
Abstract:Addressing the challenges of fragmented task definitions and the heterogeneity of unstructured data in multimodal parsing, this paper proposes the Omni Parsing framework. This framework establishes a Unified Taxonomy covering documents, images, and audio-visual streams, introducing a progressive parsing paradigm that bridges perception and cognition. Specifically, the framework integrates three hierarchical levels: 1) Holistic Detection, which achieves precise spatial-temporal grounding of objects or events to establish a geometric baseline for perception; 2) Fine-grained Recognition, which performs symbolization (e.g., OCR/ASR) and attribute extraction on localized objects to complete structured entity parsing; and 3) Multi-level Interpreting, which constructs a reasoning chain from local semantics to global logic. A pivotal advantage of this framework is its evidence anchoring mechanism, which enforces a strict alignment between high-level semantic descriptions and low-level facts. This enables ``evidence-based'' logical induction, transforming unstructured signals into standardized knowledge that is locatable, enumerable, and traceable. Building on this foundation, we constructed a standardized dataset and released the Logics-Parsing-Omni model, which successfully converts complex audio-visual signals into machine-readable structured knowledge. Experiments demonstrate that fine-grained perception and high-level cognition are synergistic, effectively enhancing model reliability. Furthermore, to quantitatively evaluate these capabilities, we introduce OmniParsingBench. Code, models and the benchmark are released at https://github.com/alibaba/Logics-Parsing/tree/master/Logics-Parsing-Omni.
Abstract:In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization and coordinated multi-view feature fusion. In our study, a multi-view Divergence-Convergence Feature Augmentation framework for Drug-related Microbes Prediction (DCFA_DMP) is proposed, to better learn and integrate association information and similarity information. In the divergence phase, DCFA_DMP strengthens the complementarity and diversity between heterogeneous information and similarity information by performing Adversarial Learning method between the association network view and different similarity views, optimizing the feature space. In the convergence phase, a novel Bidirectional Synergistic Attention Mechanism is proposed to deeply synergize the complementary features between different views, achieving a deep fusion of the feature space. Moreover, Transformer graph learning is alternately applied on the drug-microbe heterogeneous graph, enabling each drug or microbe node to focus on the most relevant nodes. Numerous experiments demonstrate DCFA_DMP's significant performance in predicting drug-microbe associations. It also proves effectiveness in predicting associations for new drugs and microbes in cold start experiments, further confirming its stability and reliability in predicting potential drug-microbe associations.