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Yifan Li

Publications and source records attributed to Yifan Li.

At least 55 records · Page 3Linked to original sources

Ring-Zero: Scaling Zero RL to a Trillion Parameters for Emergent Reasoning

Reinforcement learning with verifiable rewards without human-annotated data, often referred to as zero RL, has emerged as a powerful paradigm for eliciting chain-of-thought reasoning. However, due to computational constraints, existing studies are largely restricted to small models, leaving the training dynamics and emergent capabilities at a large scale unexplored. To meaningfully explore this frontier, we aim to elicit high-quality reasoning behaviors from the model. However, we find that naive scaling often suffers from poor readability, token redundancy, and a lack of adaptive reasoning depth. To address these challenges, we present a stable and efficient training pipeline, incorporating algorithmic and system optimizations such as clipped importance sampling, training-inference ratio correction, and mixed-precision control. Our experiments offer three key findings that validate the "bitter lesson" of scaling: (1) scaling to 1T parameters significantly enhances sample efficiency and performance ceilings; (2) the training process progresses sequentially through an initial discovery phase followed by a sharpening phase; and (3) the model spontaneously develops advanced cognitive behaviors, including anthropomorphism, structured formatting, self-verification, parallel reasoning, and context anxiety, rendering hand-crafted heuristics redundant. Evaluated on seven mathematical benchmarks, Ring-2.5-1T-Zero achieves competitive performance. Additionally, to assess CoT quality beyond final-answer correctness, we propose a structured evaluation framework across three dimensions: comprehensibility, reproducibility, and efficiency, where our model demonstrates clear advantages in producing structured and concise reasoning traces. By sharing our observed emergent phenomena, we hope to provide the community with deeper insights into scaling behaviors, particularly at the 1-trillion scale.

cs.CL↗

dpti: An Automated Thermodynamic Integration Workflow for Phase Diagram Calculations with Machine Learning Interatomic Potentials

Thermodynamic integration (TI) is a widely used approach for computing free energies and phase diagrams. However, TI calculations driven by machine learning interatomic potentials (MLIPs) remain technically challenging because they require careful design of reversible integration paths and many closely related molecular dynamics (MD) tasks for each phase and state point. To address these challenges, we present dpti, an open-source Python package that automates TI workflows for phase diagram calculations with MLIPs. dpti connects reference systems with analytically known free energies to MLIP-described atomic and molecular solids and liquids through reversible integration paths. Given JSON input files, dpti generates and runs the required MD tasks, computes free energy contributions, estimates errors, and propagates coexistence points into phase boundaries. We demonstrate the usage of dpti with two examples driven by Deep Potential models: a silica phase diagram involving beta-quartz, coesite, and melt, and the ice Ih-liquid water phase boundary. dpti provides a useful tool for automated phase diagram calculations of materials modeled by MLIPs.

physics.comp-ph↗

IndustryNav: Exploring Spatial Reasoning of Embodied Agents in Dynamic Industrial Navigation

While Visual Large Language Models (VLLMs) show great promise as embodied agents, they continue to face substantial challenges in spatial reasoning. Existing embodied benchmarks largely focus on passive, static household environments and evaluate isolated capabilities, failing to capture holistic performance in interactive and dynamic complexity of specific domains. To fill this gap, we present IndustryNav, the first dynamic industrial navigation benchmark for active spatial reasoning. IndustryNav leverages 12 manually created, high-fidelity Unity warehouse scenarios featuring dynamic objects and human movement. We proposes a zero-shot PointGoal navigation pipeline that effectively combines egocentric vision with global odometry to assess holistic local-global planning. Furthermore, we introduce the "collision rate" and "warning rate" metrics to measure safety-oriented behaviors. A comprehensive study of fourteen state-of-the-art VLLMs (including models such as GPT-5.2, Claude-4.6, and Gemini-3) reveals that closed-source models maintain a consistent advantage; however, all agents exhibit notable deficiencies in robust path planning, collision avoidance and active exploration. This highlights a critical need for embodied research to move beyond passive perception and toward tasks that demand stable planning, active exploration, and safe behavior in vivid, dynamic environments.

cs.RO↗

FinInvest-GTCN: Explainable Graph-Temporal-Causal Modeling for Risk-Aware Investment Decision Optimization

Venture capital (VC) investment decisions face distinct challenges, such as multi-source heterogeneous data, non-stationary time series, and the demand for explainable predictions in high-stakes, low-data settings. To overcome these issues, we introduce \textbf{FinInvest-GTCN}, a Graph-Temporal-Causal Network that redefines the task from content recommendation to quantitative risk-return assessment. This architecture combines a relational graph encoder to capture the investment ecosystem's topology, a multi-scale temporal fusion module to handle long-term dependencies and non-stationarity, and a causal decision head that generates risk-adjusted predictions with interpretable causal attributions. A core innovation is the Meta-Causal Adaptation (MCA) strategy, which facilitates robust fine-tuning for new, data-scarce sectors by aligning updates with causally-plausible structures derived from meta-pretraining. Comprehensive experiments on proprietary VC datasets show that FinInvest-GTCN delivers state-of-the-art results, markedly lowering the primary Risk-Adjusted Mean Squared Error (RA-MSE) to 2.51 from a baseline of 3.05 and boosting the cumulative return of a simulated portfolio by 18.7\%. Ablation studies underscore the essential role of each component, while additional analyses confirm the model's stability, interpretability, and enhanced adaptability. This work pioneers a data-driven, explainable framework for investment decision support.

cs.CL↗

FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction

Tandem mass spectrometry (MS/MS) is central to small molecule identification, but current deep learning systems for spectrum prediction still remain difficult to evaluate and deploy in practice. While novel architectures constantly claim state-of-the-art performance, inconsistent metadata conditioning and entangled preprocessing pipelines hinder fair architectural comparisons. Besides, existing evaluations are often restricted to curated datasets, failing to capture the heterogeneity and cross-domain shifts of real-world metabolomics. Furthermore, current benchmarks lack difficulty-aware diagnostics and leave blind to how models behave under specific compute or data constraints. To address this, we present FlexMS, a modular public-data benchmark framework that standardizes MS/MS prediction across public resources while keeping molecular encoders, metadata conditioning, predictor heads, and downstream retrieval under one protocol. FlexMS establishes a fair evaluation playground which significantly lowers the barrier for integrating new predictive tools. Rather than solely optimizing for average scores, FlexMS augments aggregate accuracy with difficulty-aware diagnostics, providing actionable guidance on model selection across different compute constraints, data scales, and downstream retrieval objectives. Ultimately, FlexMS provides the community with a reproducible standard to identify which algorithmic conclusions are stable and which operating points are most viable in practice.

cs.AI↗

Machine-knittable, Magnetically-Plug-n-Play E-Textile Prototyping

Electronic textiles (e-textiles) integrated with wearable sensors are essential for daily motion monitoring and long-term physiological sensing. For example, capturing optimal kinematic or bio-signals requires aligning sensors with specific anatomical parts, which vary significantly across individuals and application scenarios. This necessity for personalization makes e-textile prototyping inherently iterative, however current fabrication methods, such as manual conductive stitching, rely on permanent bonds that restrict rapid adjustment. This paper introduces Plug-n-play e-knit, a machine-knittable e-textile prototyping platform that enables repeatable, quick adjustment of sensor positions across garments. First, to cover the large area of the textile for prototyping, we use industrial digital knitting of conductive yarn to integrate power and communication buses directly into the large-scale textile. Then, to ensure plug-n-play attachment to the textile, we employ soft-magnetic connectors that enable sensors to be repeatedly plugged into the wiring without damaging the fabric. Furthermore, our LED-positioning system enables the automatic identification and localization of each sensor node. We demonstrate the platform's capabilities through forearm movement calibration and position-aware temperature mapping.

cs.HC↗

Doctor-RAG: A Failure-Aware Repair Framework for Agentic Retrieval-Augmented Generation

Agentic Retrieval-Augmented Generation interleaves retrieval and reasoning for multi-hop QA and complex knowledge tasks. As reasoning trajectories lengthen, failures become more frequent, while existing methods often either stop at diagnosis or rely on coarse replanning and rerun-style recovery, incurring high computational cost. We propose DoctorRAG (DR-RAG), a diagnose-and-repair framework that corrects failures via explicit error localization and prefix reuse. DR-RAG operates in two stages: (i) trajectory-level failure diagnosis, where a distilled diagnosis model jointly assesses evidence sufficiency, classifies the failure type, and localizes the earliest failure point; and (ii) tool-conditioned local repair that intervenes only at the diagnosed point while reusing conditionally valid prefixes and retrieved evidence. By separating error attribution from correction, DR-RAG avoids blind reruns in a post-hoc repair setting and enables targeted, efficient correction of known failed trajectories. Experiments on three multi-hop QA benchmarks across multiple agentic RAG baselines and backbone models show substantial improvements in answer accuracy.

cs.IR↗

From Knowing to Acting: Benchmarking Self-Awareness Capability of LLM Agents

The integration of external tools has transitioned LLM agents from passive responders to autonomous systems. However, current benchmarks prioritize execution success, neglecting self-awareness capability, the ability to discern whether a problem requires necessary external resources or can be solved via internal parametric knowledge. To address this, we introduce KAPRO (Knowing-Acting Quadrant PRObe), a framework that evaluates cognitive-behavioral alignment by decoupling an agent's metacognitive judgment (Knowing) from its spontaneous execution (Acting). We further construct KAware, a dataset rigorously partitioning tasks into external, internal, and hybrid subspaces to systematically probe these epistemic boundaries. Extensive experiments across diverse agent architectures show that self-awareness capability is strongly correlated with task success but degrades sharply in internal-capability settings. Moreover, open-source and instruction-following models exhibit stronger tool overuse due to shallow pattern matching, while proprietary and reasoning-oriented models demonstrate more reliable cognitive gating. Benchmark and codes are available at https://github.com/AI-Santiago/KAware.

cs.AI↗

Generative Archetype-Grounded Item Representations for Sequential Recommendation

Sequential recommendation aims to predict users' next interaction with items by analyzing their historical behavior. However, the limited quality of item representations remains a critical bottleneck. While pre-trained large language models (LLMs) can provide rich semantic representations, existing approaches only rely on static encoding of fixed attributes, overlooking the crucial role of target audiences in defining item identity. Moreover, the semantic space struggles to reflect actual user behavior, resulting in a significant gap between semantic representations and behavioral patterns. To address these limitations, we propose GenAIR, a general framework that empowers sequential recommendation with Generative Archetype-grounded Item Representations. Specifically, we first leverage an LLM to analyze item metadata and infer textual description of the Archetype, which represents the conceptual profile of the item's ideal target audience. We then extract the corresponding embeddings in a single forward pass. Further, to ground these generative archetypes in real-world behavior, we introduce a behavioral calibration objective, which explicitly incorporates behavioral signals from actual interactions. This objective adjusts the structure of the embedding space to reflect empirical patterns. GenAIR enables seamless integration with most existing models while maintaining high efficiency. Comprehensive experiments conducted on three real-world datasets demonstrate that GenAIR significantly improves the performance of various sequential recommendation models and consistently outperforms state-of-the-art baseline approaches. Implementation codes are available at https://github.com/AI-Santiago/GenAIR.

cs.IR↗

MBench: A Comprehensive Benchmark on Memory Capability for Video World Models

Recent advancements in video-based world models have demonstrated an unprecedented ability to synthesize high-fidelity visual sequences. However, a fundamental gap persists between visually plausible video generation and the functional requirements of a world model, particularly in maintaining a stable and reasonable internal state over extended temporal horizons. While existing benchmarks primarily emphasize visual quality, motion coherence, and text-video alignment, they largely overlook memory, the core capability of a world model to preserve consistency across long-term horizons and complex interactions. To address this gap, we present \textbf{MBench}, a comprehensive benchmark dedicated to quantifying and evaluating the memory capability of video world models. We systematically decompose the memory capability of video world models into three hierarchical and complementary core dimensions: entity consistency, environment consistency, and causal consistency, which are further refined into 12 quantifiable sub-dimensions for comprehensive characterization of long-term memory. Our benchmark is built upon rigorously curated real-captured long videos, and evaluated by rule-based quantitative matrices and VLM to enable objective and comprehensive consistency assessment. Extensive evaluations of mainstream state-of-the-art video world models reveal critical systemic limitations of existing methods in long-term state retention, providing a standardized benchmark and clear research direction to advance the field.

cs.CV↗

iMaC: Translating Actions into Motion and Contact Images for Embodied World Models

Embodied world models have emerged as a pivotal paradigm for visual robotic decision-making and interactive environment simulation. However, conventional embodied frameworks rely on low-dimensional structured action vectors (e.g., joint angles and end-effector poses), which suffer from limited expressive capacity, poor generalization across diverse embodiments, and unnatural dynamic modeling for complex physical interactions. To address these limitations, this paper proposesiMac (Image as Action Control), a novel unified control paradigm that treats raw visual images as native action representations for embodied world models. Departing from traditional explicit kinematic action encoding, iMac formulates continuous visual manipulation as image-based action tokens, which inherently encapsulate spatial motion intentions, interactive geometric constraints and subtle physical dynamics. We construct a dual-branch embodied architecture consisting of an image-action encoder and a dynamic world predictor: the encoder compresses target-driven visual images into compact action embeddings, while the predictor learns environment transition rules conditioned on image actions to achieve high-fidelity future state prediction and closed-loop embodied control. Extensive experiments are conducted on public embodied manipulation benchmarks and real-world robotic scenarios. The results demonstrate that iMac outperforms vector-based action control baselines in prediction accuracy, task success rate and cross-scene generalization ability. Moreover, our image-action design eliminates the reliance on manually defined action spaces, realizing flexible and universal control for heterogeneous embodied agents. This work provides an innovative visual-action perspective for embodied world models, offering a simple yet effective paradigm for scalable robotic perception and manipulation.

cs.RO↗

RhymeFlow: Training-Free Acceleration for Video Generation with Asynchronous Denoising Flow Scheduling

Video generation models based on Diffusion Transformers (DiTs) have achieved remarkable performance in video synthesis, yet they suffer from high inference latency and computational costs due to the quadratic complexity of 3D attention. Existing acceleration methods primarily reduce computational complexity within each individual denoising steps through techniques such as sparse attention and KV-caching. However, they rigidly adhere to the inherent constraint of the standard diffusion pipeline: every frame in the target video sequence must be subjected to a complete, dense denoising process across all diffusion timesteps. We observe that due to the corresponding contents and motions among adjacent frames, when keyframes with critical semantic transitions are anchored, the intermediate states of others often follow more predictable trajectories, which indicates that such uniform, dense denoising process is inherently redundant for natural video data. To this end, we introduce \textbf{RhymeFlow}, a training-free framework that decouples the denoising trajectories of different frames. Specifically, we first identify a sparse set of pivotal key frames that dominate the latent semantic evolution. Then, only these keyframes undergo dense, step-by-step denoising to ensure structural integrity, while non-keyframes progressively skip denoising steps to minimize computational cost. Since skipped intermediate states of non-keyframes break the temporal coherence in keyframe denoising steps, leading to visual degradation, we further introduce a latent trajectory projection module, which enables keyframes to interact with a complete and temporally consistent sequence representation. Extensive experiments on current DiT-based video generation models demonstrate our method outperforms existing baselines with higher inference speed and better visual quality.

cs.CV↗

ADRA-Bank: A Modular Benchmark for Academic Deep Research Agents

A surge in academic publications calls for automated deep research (DR) systems, but accurately evaluating them is still an open problem. First, existing benchmarks often focus narrowly on retrieval while neglecting high-level planning and reasoning. Second, existing benchmarks favor general domains over the academic domains that are the core application for DR agents. To address these gaps, we introduce ADRA-Bank, a modular benchmark for Academic DR Agents. Grounded in academic literature, our benchmark is a human-annotated dataset of 200 instances across 10 academic domains, including both research and review papers. Furthermore, we propose a modular Evaluation Paradigm for Academic DR Agents (ADRA-Eval), which leverages the rich structure of academic papers to assess the core capabilities of planning, retrieval, and reasoning. It employs two complementary modes: an end-to-end evaluation for \task agents and an isolated evaluation for foundational LLMs as potential backbones. Results reveal uneven capabilities: while agents show specialized strengths, they struggle with multi-source retrieval and cross-field consistency. Moreover, improving high-level planning capability is the crucial factor for unlocking the reasoning potential of foundational LLMs as backbones. By exposing these actionable failure modes, ADRA-Bank provides a diagnostic tool to guide the development of more reliable automatic academic research assistants.

cs.CL↗

Probability-Entropy Calibration: An Elastic Indicator for Adaptive Fine-tuning

Token-level reweighting is a simple yet effective mechanism for controlling supervised fine-tuning, but common indicators are largely one-dimensional: the ground-truth probability reflects downstream alignment, while token entropy reflects intrinsic uncertainty induced by the pre-training prior. Ignoring entropy can misidentify noisy or easily replaceable tokens as learning-critical, while ignoring probability fails to reflect target-specific alignment. RankTuner introduces a probability--entropy calibration signal, the Relative Rank Indicator, which compares the rank of the ground-truth token with its expected rank under the prediction distribution. The inverse indicator is used as a token-wise Relative Scale to reweight the fine-tuning objective, focusing updates on truly under-learned tokens without over-penalizing intrinsically uncertain positions. Experiments on multiple backbones show consistent improvements on mathematical reasoning benchmarks, transfer gains on out-of-distribution reasoning, and pre code generation performance over probability-only or entropy-only reweighting baselines.

cs.LG↗

Beyond Benchmark Islands: Toward Representative Trustworthiness Evaluation for Agentic AI

Agentic AI systems increasingly act through tool-augmented, multi-step workflows whose failures (unsafe tool use, unauthorised actions, social harm) carry deployment-level consequences. Evaluation practice remains fragmented across isolated benchmark slices, and "trustworthiness" is frequently invoked but rarely defined operationally. We argue the central limitation is twofold: (i) the absence of a measurable specification of what agent trustworthiness means, and (ii) the lack of a principled notion of representativeness allowing assessment over a socio-technical scenario distribution rather than disconnected benchmark instances. We address (i) by defining agentic trustworthiness as a five-property profile (Reliability, Robustness, Safety, Social-Ethical Alignment, Operational Integrity) grounded in current AI risk frameworks, and (ii) with the Holographic Agent Assessment Framework (HAAF), which measures this profile over a scenario manifold through static policy analysis, sandbox simulation, social-ethical alignment assessment, and distribution-aware sampling, connected through an iterative Trustworthy Optimization Factory that converts red-team diagnoses into blue-team interventions. Our contributions are: (1) an operational five-property definition of agentic trustworthiness; (2) a distribution-aware scenario-sampling framework that surfaces property-level trade-offs invisible to scalar leaderboards; and (3) a cross-family transfer experiment in which interventions designed from a single focal model generalise -- without per-model or per-scenario tuning -- to 13 systems from seven model families (Llama, Mistral, Kimi, GLM, Qwen, GPT, DeepSeek) on a 100-scenario suite, where all 13 systems improve and two reach a perfect risk-weighted profile, establishing HAAF's Factory as a model-agnostic deployment-readiness pipeline. Code: https://github.com/TonyQJH/haaf-pilot

cs.CL↗

Kirillov's conjecture on Hecke-Grothendieck polynomials

We use algebraic methods in statistical mechanics to represent a multi-parameter class of polynomials in several variables as partition functions of a new family of solvable lattice models. The class of polynomials, defined by A. N. Kirillov, is derived from the largest class of divided difference operators satisfying the braid relations of Cartan type $A$. It includes as specializations Schubert, Grothendieck, and dual-Grothendieck polynomials, among others. In particular, our results prove positivity conjectures of Kirillov for the subfamily of Hecke-Grothendieck polynomials, while the larger family is shown to exhibit rare instances of negative coefficients.

math.CO↗

Open Set Face Forgery Detection via Dual-Level Evidence Collection

The surge in face forgeries has increasingly undermined confidence in the authenticity of online content. As generation algorithms rapidly evolve, new fake categories will constantly emerge, severely challenging existing face forgery detection methods. Although face forgery detection has recently improved, current techniques remain largely confined to binary Real-vs-Fake classification or the recognition of known fake categories. Moreover, they fail to identify the emergence of entirely new forgery methods. In this work, we study the Open Set Face Forgery Detection (OSFFD) problem, which requires the detection model to identify novel fake categories. To enhance its real-world applicability, we reformulate the OSFFD problem and address it through uncertainty estimation. Specifically, we propose the Dual-Level Evidential face forgery Detection (DLED) approach, which estimates prediction uncertainty by extracting and integrating category-specific evidence on the spatial and frequency levels. Comprehensive experiments across diverse settings demonstrate that our proposed DLED approach achieves state-of-the-art performance. Notably, it surpasses various existing baseline models by a $20\%$ margin on average when identifying forgeries from novel fake categories. Concurrently, our DLED method yields competitive performance on the standard binary Real-versus-Fake face forgery detection task.

cs.CV↗

Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills

This work presents a decoupled framework for multi-step computational chemistry automation built on OpenClaw. OpenClaw serves as the general-purpose agent for task coordination and supervision. Planning skills externalize task descriptions into executable task specifications, domain skills provide computational chemistry procedures, and the DPDispatcher skill grounds computation in heterogeneous HPC environments. In a methane-oxidation reactive MD case study, the framework coordinated cross-tool execution, supported bounded recovery from runtime failures, and extracted reaction networks.

physics.chem-ph↗