Abstract:We present a Temporal Rule-Anchored Chain-of-Evidence (TRACE) on knowledge graphs for interpretable stock movement prediction that unifies symbolic relational priors, dynamic graph exploration, and LLM-guided decision making in a single end-to-end pipeline. The approach performs rule-guided multi-hop exploration restricted to admissible relation sequences, grounds candidate reasoning chains in contemporaneous news, and aggregates fully grounded evidence into auditable \texttt{UP}/\texttt{DOWN} verdicts with human-readable paths connecting text and structure. On an S\&P~500 benchmark, the method achieves 55.1\% accuracy, 55.7\% precision, 71.5\% recall, and 60.8\% F1, surpassing strong baselines and improving recall and F1 over the best graph baseline under identical evaluation. The gains stem from (i) rule-guided exploration that focuses search on economically meaningful motifs rather than arbitrary walks, and (ii) text-grounded consolidation that selectively aggregates high-confidence, fully grounded hypotheses instead of uniformly pooling weak signals. Together, these choices yield higher sensitivity without sacrificing selectivity, delivering predictive lift with faithful, auditably interpretable explanations.
Abstract:Real-world user requests to LLM agents are often underspecified. Agents must interact to acquire missing information and make correct downstream decisions. However, current multi-turn GRPO-based methods often rely on trajectory-level reward computation, which leads to credit assignment problems and insufficient advantage signals within rollout groups. A feasible approach is to identify valuable interaction turns at a fine granularity to drive more targeted learning. To address this, we introduce InfoPO (Information-Driven Policy Optimization), which frames multi-turn interaction as a process of active uncertainty reduction and computes an information-gain reward that credits turns whose feedback measurably changes the agent's subsequent action distribution compared to a masked-feedback counterfactual. It then combines this signal with task outcomes via an adaptive variance-gated fusion to identify information importance while maintaining task-oriented goal direction. Across diverse tasks, including intent clarification, collaborative coding, and tool-augmented decision making, InfoPO consistently outperforms prompting and multi-turn RL baselines. It also demonstrates robustness under user simulator shifts and generalizes effectively to environment-interactive tasks. Overall, InfoPO provides a principled and scalable mechanism for optimizing complex agent-user collaboration. Code is available at https://github.com/kfq20/InfoPO.
Abstract:The performance of autonomous Web GUI agents heavily relies on the quality and quantity of their training data. However, a fundamental bottleneck persists: collecting interaction trajectories from real-world websites is expensive and difficult to verify. The underlying state transitions are hidden, leading to reliance on inconsistent and costly external verifiers to evaluate step-level correctness. To address this, we propose AutoWebWorld, a novel framework for synthesizing controllable and verifiable web environments by modeling them as Finite State Machines (FSMs) and use coding agents to translate FSMs into interactive websites. Unlike real websites, where state transitions are implicit, AutoWebWorld explicitly defines all states, actions, and transition rules. This enables programmatic verification: action correctness is checked against predefined rules, and task success is confirmed by reaching a goal state in the FSM graph. AutoWebWorld enables a fully automated search-and-verify pipeline, generating over 11,663 verified trajectories from 29 diverse web environments at only $0.04 per trajectory. Training on this synthetic data significantly boosts real-world performance. Our 7B Web GUI agent outperforms all baselines within 15 steps on WebVoyager. Furthermore, we observe a clear scaling law: as the synthetic data volume increases, performance on WebVoyager and Online-Mind2Web consistently improves.
Abstract:We propose a sparsity-aware evolutionary (SAE) framework for model merging that involves iterative pruning-merging cycles to act as a novel mutation operator. We incorporate the sparsity constraints into the score function, which steers the evolutionary process to favor more sparse models, in addition to other conventional performance scores. Interestingly, the by-product of \textit{competition} for sparsity introduces an extra local \textit{attraction} and interplay into the evolutionary process: if one competitor has more zero elements, the other competitor's non-zero elements will occupy those positions, even though the less sparse competitor loses to the more sparse competitor in other positions. The proposed pipeline is evaluated on a variety of large-scale LLM benchmarks. Experiments demonstrate that our approach can improve model merging reliability across multiple benchmarks, and is easy to incorporate due to its simplicity and being orthogonal to most existing approaches.
Abstract:Language agents have shown strong promise for task automation. Realizing this promise for increasingly complex, long-horizon tasks has driven the rise of a sub-agent-as-tools paradigm for multi-turn task solving. However, existing designs still lack a dynamic abstraction view of sub-agents, thereby hurting adaptability. We address this challenge with a unified, framework-agnostic agent abstraction that models any agent as a tuple Instruction, Context, Tools, Model. This tuple acts as a compositional recipe for capabilities, enabling the system to spawn specialized executors for each task on demand. Building on this abstraction, we introduce an agentic system AOrchestra, where the central orchestrator concretizes the tuple at each step: it curates task-relevant context, selects tools and models, and delegates execution via on-the-fly automatic agent creation. Such designs enable reducing human engineering efforts, and remain framework-agnostic with plug-and-play support for diverse agents as task executors. It also enables a controllable performance-cost trade-off, allowing the system to approach Pareto-efficient. Across three challenging benchmarks (GAIA, SWE-Bench, Terminal-Bench), AOrchestra achieves 16.28% relative improvement against the strongest baseline when paired with Gemini-3-Flash. The code is available at: https://github.com/FoundationAgents/AOrchestra
Abstract:The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.
Abstract:Multi-agent systems can improve reliability, yet under a fixed inference budget they often help, saturate, or even collapse. We develop a minimal and calibratable theory that predicts these regimes from three binding constraints of modern agent stacks: finite context windows, lossy inter-agent communication, and shared failures among similar agents. Each leaf agent is summarized by a compute-performance scaling exponent $β$; communication is captured by a message-length fidelity curve $γ(m)$; dependence is captured by an effective shared-error correlation $ρ$; and a context window $W$ imposes hard fan-in limits that make hierarchy necessary. For binary success/failure tasks with majority aggregation, we prove a sharp phase transition for deep $b$-ary trees with correlated inputs and lossy communication: a single scalar $α_ρ$ (combining $γ(m)$, $ρ$, and fan-in $b$) determines whether weak signal is amplified to a nontrivial fixed point or washed out to chance. In the amplifying regime, we derive an organization exponent $s$ and show that budgeted synergy, i.e., outperforming the best single agent under the same total budget, occurs exactly when $s>β$, yielding closed-form compute allocation rules and explicit budget thresholds. We further characterize saturation via a mixing depth and provide a conservative clipped predictor that remains accurate across growth and saturation. A continuous-performance warm-up gives closed-form risks for star, chain, and tree organizations, making correlation- and communication-induced floors explicit and exposing the core design trade-offs in a smooth setting. Finally, we validate the predicted phase boundaries in controlled synthetic simulations and show how the same mechanisms explain the dominant bottlenecks reported in recent large-scale matched-budget studies of LLM agent-system scaling.
Abstract:Generating molecules that satisfy precise numeric constraints over multiple physicochemical properties is critical and challenging. Although large language models (LLMs) are expressive, they struggle with precise multi-objective control and numeric reasoning without external structure and feedback. We introduce \textbf{M olGen}, a fragment-level, retrieval-augmented, two-stage framework for molecule generation under multi-property constraints. Stage I : Prototype generation: a multi-agent reasoner performs retrieval-anchored, fragment-level edits to produce a candidate near the feasible region. Stage II : RL-based fine-grained optimization: a fragment-level optimizer trained with Group Relative Policy Optimization (GRPO) applies one- or multi-hop refinements to explicitly minimize the property errors toward our target while regulating edit complexity and deviation from the prototype. A large, automatically curated dataset with reasoning chains of fragment edits and measured property deltas underpins both stages, enabling deterministic, reproducible supervision and controllable multi-hop reasoning. Unlike prior work, our framework better reasons about molecules by leveraging fragments and supports controllable refinement toward numeric targets. Experiments on generation under two sets of property constraints (QED, LogP, Molecular Weight and HOMO, LUMO) show consistent gains in validity and precise satisfaction of multi-property targets, outperforming strong LLMs and graph-based algorithms.
Abstract:We study continual skill acquisition in open-ended embodied environments where an agent must construct, refine, and reuse an expanding library of executable skills. We introduce the Programmatic Skill Network (PSN), a framework in which skills are executable symbolic programs forming a compositional network that evolves through experience. PSN defines three core mechanisms instantiated via large language models: (1)REFLECT for structured fault localization over skill compositions, (2) progressive optimization with maturity-aware update gating that stabilizes reliable skills while maintaining plasticity for uncertain ones, and (3) canonical structural refactoring under rollback validation that maintains network compactness. We further show that PSN's learning dynamics exhibit structural parallels to neural network training. Experiments on MineDojo and Crafter demonstrate robust skill reuse, rapid adaptation, and strong generalization across open-ended task distributions.\footnote{We plan to open-source the code.
Abstract:Visualization, a domain-specific yet widely used form of imagery, is an effective way to turn complex datasets into intuitive insights, and its value depends on whether data are faithfully represented, clearly communicated, and aesthetically designed. However, evaluating visualization quality is challenging: unlike natural images, it requires simultaneous judgment across data encoding accuracy, information expressiveness, and visual aesthetics. Although multimodal large language models (MLLMs) have shown promising performance in aesthetic assessment of natural images, no systematic benchmark exists for measuring their capabilities in evaluating visualizations. To address this, we propose VisJudge-Bench, the first comprehensive benchmark for evaluating MLLMs' performance in assessing visualization aesthetics and quality. It contains 3,090 expert-annotated samples from real-world scenarios, covering single visualizations, multiple visualizations, and dashboards across 32 chart types. Systematic testing on this benchmark reveals that even the most advanced MLLMs (such as GPT-5) still exhibit significant gaps compared to human experts in judgment, with a Mean Absolute Error (MAE) of 0.551 and a correlation with human ratings of only 0.429. To address this issue, we propose VisJudge, a model specifically designed for visualization aesthetics and quality assessment. Experimental results demonstrate that VisJudge significantly narrows the gap with human judgment, reducing the MAE to 0.442 (a 19.8% reduction) and increasing the consistency with human experts to 0.681 (a 58.7% improvement) compared to GPT-5. The benchmark is available at https://github.com/HKUSTDial/VisJudgeBench.