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Yu Su

Publications and source records attributed to Yu Su.

At least 73 records · Page 4Linked to original sources

From RAG to Memory: Non-Parametric Continual Learning for Large Language Models

Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vector embeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Code and data are available at https://github.com/OSU-NLP-Group/HippoRAG.

cs.CL↗

Navigating the Digital World as Humans Do: Universal Visual Grounding for GUI Agents

Multimodal large language models (MLLMs) are transforming the capabilities of graphical user interface (GUI) agents, facilitating their transition from controlled simulations to complex, real-world applications across various platforms. However, the effectiveness of these agents hinges on the robustness of their grounding capability. Current GUI agents predominantly utilize text-based representations such as HTML or accessibility trees, which, despite their utility, often introduce noise, incompleteness, and increased computational overhead. In this paper, we advocate a human-like embodiment for GUI agents that perceive the environment entirely visually and directly perform pixel-level operations on the GUI. The key is visual grounding models that can accurately map diverse referring expressions of GUI elements to their coordinates on the GUI across different platforms. We show that a simple recipe, which includes web-based synthetic data and slight adaptation of the LLaVA architecture, is surprisingly effective for training such visual grounding models. We collect the largest dataset for GUI visual grounding so far, containing 10M GUI elements and their referring expressions over 1.3M screenshots, and use it to train UGround, a strong universal visual grounding model for GUI agents. Empirical results on six benchmarks spanning three categories (grounding, offline agent, and online agent) show that 1) UGround substantially outperforms existing visual grounding models for GUI agents, by up to 20% absolute, and 2) agents with UGround outperform state-of-the-art agents, despite the fact that existing agents use additional text-based input while ours only uses visual perception. These results provide strong support for the feasibility and promises of GUI agents that navigate the digital world as humans do.

cs.AI↗

Completing A Systematic Review in Hours instead of Months with Interactive AI Agents

Systematic reviews (SRs) are vital for evidence-based practice in high stakes disciplines, such as healthcare, but are often impeded by intensive labors and lengthy processes that can take months to complete. Due to the high demand for domain expertise, existing automatic summarization methods fail to accurately identify relevant studies and generate high-quality summaries. To that end, we introduce InsightAgent, a human-centered interactive AI agent powered by large language models that revolutionize this workflow. InsightAgent partitions a large literature corpus based on semantics and employs a multi-agent design for more focused processing of literature, leading to significant improvement in the quality of generated SRs. InsightAgent also provides intuitive visualizations of the corpus and agent trajectories, allowing users to effortlessly monitor the actions of the agent and provide real-time feedback based on their expertise. Our user studies with 9 medical professionals demonstrate that the visualization and interaction mechanisms can effectively improve the quality of synthesized SRs by 27.2%, reaching 79.7% of human-written quality. At the same time, user satisfaction is improved by 34.4%. With InsightAgent, it only takes a clinician about 1.5 hours, rather than months, to complete a high-quality systematic review.

cs.HC↗

Is Extending Modality The Right Path Towards Omni-Modality?

Omni-modal language models (OLMs) aim to integrate and reason over diverse input modalities--such as text, images, video, and audio--while maintaining strong language capabilities. Despite recent advancements, existing models, especially open-source ones, remain far from true omni-modality, struggling to generalize beyond the specific modality pairs they are trained on or to achieve strong performance when processing multi-modal inputs. We study the effect of extending modality, the dominant technique for training multimodal models, where an off-the-shelf language model is fine-tuned on target-domain and language data. Specifically, we investigate three key questions: (1) Does modality extension compromise core language abilities? (2) Can model merging effectively integrate independently fine-tuned modality-specific models to achieve omni-modality? (3) Does omni-modality extension lead to better knowledge sharing and generalization compared to sequential extension? Through extensive experiments, we analyze these trade-offs and provide insights into the feasibility of achieving true omni-modality using current approaches.

cs.CL↗

Explorer: Scaling Exploration-driven Web Trajectory Synthesis for Multimodal Web Agents

Recent success in large multimodal models (LMMs) has sparked promising applications of agents capable of autonomously completing complex web tasks. While open-source LMM agents have made significant advances in offline evaluation benchmarks, their performance still falls substantially short of human-level capabilities in more realistic online settings. A key bottleneck is the lack of diverse and large-scale trajectory-level datasets across various domains, which are expensive to collect. In this paper, we address this challenge by developing a scalable recipe to synthesize the largest and most diverse trajectory-level dataset to date, containing over 94K successful multimodal web trajectories, spanning 49K unique URLs, 720K screenshots, and 33M web elements. In particular, we leverage extensive web exploration and refinement to obtain diverse task intents. The average cost is 28 cents per successful trajectory, making it affordable to a wide range of users in the community. Leveraging this dataset, we train Explorer, a multimodal web agent, and demonstrate strong performance on both offline and online web agent benchmarks such as Mind2Web-Live, Multimodal-Mind2Web, and MiniWob++. Additionally, our experiments highlight data scaling as a key driver for improving web agent capabilities. We hope this study makes state-of-the-art LMM-based agent research at a larger scale more accessible.

cs.AI↗

MMMU-Pro: A More Robust Multi-discipline Multimodal Understanding Benchmark

This paper introduces MMMU-Pro, a robust version of the Massive Multi-discipline Multimodal Understanding and Reasoning (MMMU) benchmark. MMMU-Pro rigorously assesses multimodal models' true understanding and reasoning capabilities through a three-step process based on MMMU: (1) filtering out questions answerable by text-only models, (2) augmenting candidate options, and (3) introducing a vision-only input setting where questions are embedded within images. This setting challenges AI to truly "see" and "read" simultaneously, testing a fundamental human cognitive skill of seamlessly integrating visual and textual information. Results show that model performance is substantially lower on MMMU-Pro than on MMMU, ranging from 16.8% to 26.9% across models. We explore the impact of OCR prompts and Chain of Thought (CoT) reasoning, finding that OCR prompts have minimal effect while CoT generally improves performance. MMMU-Pro provides a more rigorous evaluation tool, closely mimicking real-world scenarios and offering valuable directions for future research in multimodal AI.

cs.CL↗

Correlated vibration-solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy

Understanding the effects of vibrations in electron transfer (ET) dynamics and optical spectroscopies is essential to precisely interpret the role of decoherence, especially for systems embedded in solvents. In this work, we study the correlated Duschinsky and solvent effects on ET and spectroscopy. Exploited is a novel extended dissipaton-equation-of motion (ext-DEOM) approach, which is an exact and non-Markovian, non-perturbative method for quadratic system-bath couplings. The unified bath description, in terms of multiple Brownian oscillators (BOs), comprises the solvent modes and also intramolecular vibrations. Both ET dynamics and spectroscopy show the complex interplay among linear displacements, frequency shifts, Duschinsky rotations and solvent-induced BO-mode correlations. The reduced ET system density operator evolution is further analyzed in the context of Bloch sphere representation that is basis-set independent due to its geometric nature.

physics.chem-ph↗

Confidence in Large Language Model Evaluation: A Bayesian Approach to Limited-Sample Challenges

Large language models (LLMs) exhibit probabilistic output characteristics, yet conventional evaluation frameworks rely on deterministic scalar metrics. This study introduces a Bayesian approach for LLM capability assessment that integrates prior knowledge through probabilistic inference, addressing limitations under limited-sample regimes. By treating model capabilities as latent variables and leveraging a curated query set to induce discriminative responses, we formalize model ranking as a Bayesian hypothesis testing problem over mutually exclusive capability intervals. Experimental evaluations with GPT-series models demonstrate that the proposed method achieves superior discrimination compared to conventional evaluation methods. Results indicate that even with reduced sample sizes, the approach maintains statistical robustness while providing actionable insights, such as probabilistic statements about a model's likelihood of surpassing specific baselines. This work advances LLM evaluation methodologies by bridging Bayesian inference with practical constraints in real-world deployment scenarios.

cs.CL↗

Nonperturbative Open Quantum Dynamics Bypass Influence Functional

An ordered moment approach to exact open quantum dynamics is presented, which bypasses the Feynman-Vernon influence functional formalism. The hierarchical equations of motion are constructed using Wick's contraction, which follows specific orderings of the bath's creation and annihilation operators. Our approach moves beyond the traditional influence functional formalism, offering a more intuitive and direct framework, and extends the applicability of theory to nonlinear system--bath coupling scenarios.

quant-ph↗

MICE for CATs: Model-Internal Confidence Estimation for Calibrating Agents with Tools

Tool-using agents that act in the world need to be both useful and safe. Well-calibrated model confidences can be used to weigh the risk versus reward of potential actions, but prior work shows that many models are poorly calibrated. Inspired by interpretability literature exploring the internals of models, we propose a novel class of model-internal confidence estimators (MICE) to better assess confidence when calling tools. MICE first decodes from each intermediate layer of the language model using logitLens and then computes similarity scores between each layer's generation and the final output. These features are fed into a learned probabilistic classifier to assess confidence in the decoded output. On the simulated trial and error (STE) tool-calling dataset using Llama3 models, we find that MICE beats or matches the baselines on smoothed expected calibration error. Using MICE confidences to determine whether to call a tool significantly improves over strong baselines on a new metric, expected tool-calling utility. Further experiments show that MICE is sample-efficient, can generalize zero-shot to unseen APIs, and results in higher tool-calling utility in scenarios with varying risk levels. Our code is open source, available at https://github.com/microsoft/mice_for_cats.

cs.CL↗

IEA-Plugin: An AI Agent Reasoner for Test Data Analytics

This paper introduces IEA-plugin, a novel AI agent-based reasoning module developed as a new front-end for the Intelligent Engineering Assistant (IEA). The primary objective of IEA-plugin is to utilize the advanced reasoning and coding capabilities of Large Language Models (LLMs) to effectively address two critical practical challenges: capturing diverse engineering requirements and improving system scalability. Built on the LangGraph agentic programming platform, IEAplugin is specifically tailored for industrial deployment and integration with backend test data analytics tools. Compared to the previously developed IEA-Plot (introduced two years ago), IEA-plugin represents a significant advancement, capitalizing on recent breakthroughs in LLMs to deliver capabilities that were previously unattainable.

cs.SE↗

SkillWeaver: Web Agents can Self-Improve by Discovering and Honing Skills

To survive and thrive in complex environments, humans have evolved sophisticated self-improvement mechanisms through environment exploration, hierarchical abstraction of experiences into reuseable skills, and collaborative construction of an ever-growing skill repertoire. Despite recent advancements, autonomous web agents still lack crucial self-improvement capabilities, struggling with procedural knowledge abstraction, refining skills, and skill composition. In this work, we introduce SkillWeaver, a skill-centric framework enabling agents to self-improve by autonomously synthesizing reusable skills as APIs. Given a new website, the agent autonomously discovers skills, executes them for practice, and distills practice experiences into robust APIs. Iterative exploration continually expands a library of lightweight, plug-and-play APIs, significantly enhancing the agent's capabilities. Experiments on WebArena and real-world websites demonstrate the efficacy of SkillWeaver, achieving relative success rate improvements of 31.8% and 39.8%, respectively. Additionally, APIs synthesized by strong agents substantially enhance weaker agents through transferable skills, yielding improvements of up to 54.3% on WebArena. These results demonstrate the effectiveness of honing diverse website interactions into APIs, which can be seamlessly shared among various web agents.

cs.AI↗

Extended dissipaton theory with application to adatom-graphene composite

In this paper, we present the extended dissipaton theory, including the dissipaton-equation-of-motion formalism and the equivalent dissipaton-embedded quantum master equation. These are exact, non-Markovian, and non-perturbative theories, capable of handling not only linear but also quadratic environmental couplings. These scenarios are prevalent in a variety of strongly correlated electronic systems, including mesoscopic nanodevices and superconductors. As a demonstration, we apply the present theory to simulate the spectral functions of an adatom on a graphene substrate. We analyze the spectral peaks in the presence of the graphene substrate and compare them to those obtained in conventional metal environments. The adatom's spectral functions reveal intricate behaviors arising from the band structure of graphene.

cond-mat.mes-hall↗

Prompt-CAM: Making Vision Transformers Interpretable for Fine-Grained Analysis

We present a simple approach to make pre-trained Vision Transformers (ViTs) interpretable for fine-grained analysis, aiming to identify and localize the traits that distinguish visually similar categories, such as bird species. Pre-trained ViTs, such as DINO, have demonstrated remarkable capabilities in extracting localized, discriminative features. However, saliency maps like Grad-CAM often fail to identify these traits, producing blurred, coarse heatmaps that highlight entire objects instead. We propose a novel approach, Prompt Class Attention Map (Prompt-CAM), to address this limitation. Prompt-CAM learns class-specific prompts for a pre-trained ViT and uses the corresponding outputs for classification. To correctly classify an image, the true-class prompt must attend to unique image patches not present in other classes' images (i.e., traits). As a result, the true class's multi-head attention maps reveal traits and their locations. Implementation-wise, Prompt-CAM is almost a ``free lunch,'' requiring only a modification to the prediction head of Visual Prompt Tuning (VPT). This makes Prompt-CAM easy to train and apply, in stark contrast to other interpretable methods that require designing specific models and training processes. Extensive empirical studies on a dozen datasets from various domains (e.g., birds, fishes, insects, fungi, flowers, food, and cars) validate the superior interpretation capability of Prompt-CAM. The source code and demo are available at https://github.com/Imageomics/Prompt_CAM.

cs.CV↗

Memory Kernel Coupling Theory: Obtain Time Correlation Function from Higher-order Moments

Dynamical observables can often be described by time correlation functions (TCFs). However, efficiently calculating TCFs for complex quantum systems is a significant challenge, which generally requires solving the full dynamics of the systems. This Letter presents the memory kernel coupling theory (MKCT), a general formalism for evaluating TCFs. The MKCT builds upon Mori's memory kernel formalism for TCFs. Our theory further decomposes the memory kernel into auxiliary kernels. Rapid decay of auxiliary kernels allows us to truncate the coupled equations of motion with high accuracy. Notably, only higher-order moments are sufficient as the input for obtaining TCFs. While this formalism is general, we carry out the numerical demonstration for a typical open quantum system--the spin-boson model.

physics.chem-ph↗

Is Your LLM Secretly a World Model of the Internet? Model-Based Planning for Web Agents

Language agents based on large language models (LLMs) have demonstrated great promise in automating web-based tasks. Recent work has shown that incorporating advanced planning algorithms, e.g., tree search, is advantageous over reactive planning for web agents. However, unlike simulated sandbox environments, real-world environments such as the web are rife with irreversible actions. This undermines the feasibility of backtracking, a cornerstone of (tree) search. Overly relying on test-time search also hurts efficiency. We advocate model-based planning for web agents that employs a world model to simulate and deliberate over the outcome of each candidate action before committing to one. We systematically explore this paradigm by (1) Proposing a model-based planning framework, WebDreamer, which employs LLMs to serve as both world models and value functions; (2) Training specialized LLMs as world models with a scalable data synthesis pipeline. Empirical results demonstrate that WebDreamer achieves substantial performance improvements over reactive baselines. It is competitive, while being 4-5 times more efficient, with tree search in sandbox environments (VisualWebArena) and also works effectively on real-world websites (Online-Mind2Web and Mind2Web-Live). Furthermore, our trained world model, Dreamer-7B, performs comparable to GPT-4o, highlighting the potential of specialized world models for efficient and effective planning in complex web environments.

cs.AI↗

ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true capabilities. In this work, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using ScienceAgentBench, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands CodeAct, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. In addition, we evaluate OpenAI o1-preview with direct prompting and self-debug, which can boost the performance to 42.2%, demonstrating the effectiveness of increasing inference-time compute but with more than 10 times the cost of other LLMs. Still, our results underscore the limitations of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

cs.CL↗

Finer-CAM: Spotting the Difference Reveals Finer Details for Visual Explanation

Class activation map (CAM) has been widely used to highlight image regions that contribute to class predictions. Despite its simplicity and computational efficiency, CAM often struggles to identify discriminative regions that distinguish visually similar fine-grained classes. Prior efforts address this limitation by introducing more sophisticated explanation processes, but at the cost of extra complexity. In this paper, we propose Finer-CAM, a method that retains CAM's efficiency while achieving precise localization of discriminative regions. Our key insight is that the deficiency of CAM lies not in "how" it explains, but in "what" it explains. Specifically, previous methods attempt to identify all cues contributing to the target class's logit value, which inadvertently also activates regions predictive of visually similar classes. By explicitly comparing the target class with similar classes and spotting their differences, Finer-CAM suppresses features shared with other classes and emphasizes the unique, discriminative details of the target class. Finer-CAM is easy to implement, compatible with various CAM methods, and can be extended to multi-modal models for accurate localization of specific concepts. Additionally, Finer-CAM allows adjustable comparison strength, enabling users to selectively highlight coarse object contours or fine discriminative details. Quantitatively, we show that masking out the top 5% of activated pixels by Finer-CAM results in a larger relative confidence drop compared to baselines. The source code and demo are available at https://github.com/Imageomics/Finer-CAM.

cs.CV↗