arXiv subjects

Shusen Liu

Publications and source records attributed to Shusen Liu.

At least 37 records · Page 2Linked to original sources

arXiv2025

VERIRAG: A Post-Retrieval Auditing of Scientific Study Summaries

Can democratized information gatekeepers and community note writers effectively decide what scientific information to amplify? Lacking domain expertise, such gatekeepers rely on automated reasoning agents that use RAG to ground evidence to cited sources. But such standard RAG systems validate summaries via semantic grounding and suffer from "methodological blindness," treating all cited evidence as equally valid regardless of rigor. To address this, we introduce VERIRAG, a post-retrieval auditing framework that shifts the task from classification to methodological vulnerability detection. Using private Small Language Models (SLMs), VERIRAG audits source papers against the Veritable taxonomy of statistical rigor. We contribute: (1) a benchmark of 1,730 summaries with realistic, non-obvious perturbations modeled after retracted papers; (2) the auditable Veritable taxonomy; and (3) an operational system that improves Macro F1 by at least 19 points over baselines using GPT-based SLMs, a result that replicates across MISTRAL and Gemma architectures. Given the complexity of detecting non-obvious flaws, we view VERIRAG as a "vulnerability-detection copilot," providing structured audit trails for human editors. In our experiments, individual human testers found over 80% of the generated audit trails useful for decision-making. We plan to release the dataset and code to support responsible science advocacy.

cs.IR↗

arXiv2025

Self-supervised and Multi-fidelity Learning for Extended Predictive Soil Spectroscopy

We propose a self-supervised machine learning (SSML) framework for multi-fidelity learning and extended predictive soil spectroscopy based on latent space embeddings. A self-supervised representation was pretrained with the large MIR spectral library and the Variational Autoencoder algorithm to obtain a compressed latent space for generating spectral embeddings. At this stage, only unlabeled spectral data were used, allowing us to leverage the full spectral database and the availability of scan repeats for augmented training. We also leveraged and froze the trained MIR decoder for a spectrum conversion task by plugging it into a NIR encoder to learn the mapping between NIR and MIR spectra in an attempt to leverage the predictive capabilities contained in the large MIR library with a low cost portable NIR scanner. This was achieved by using a smaller subset of the KSSL library with paired NIR and MIR spectra. Downstream machine learning models were then trained to map between original spectra, predicted spectra, and latent space embeddings for nine soil properties. The performance of was evaluated independently of the KSSL training data using a gold-standard test set, along with regression goodness-of-fit metrics. Compared to baseline models, the proposed SSML and its embeddings yielded similar or better accuracy in all soil properties prediction tasks. Predictions derived from the spectrum conversion (NIR to MIR) task did not match the performance of the original MIR spectra but were similar or superior to predictive performance of NIR-only models, suggesting the unified spectral latent space can effectively leverage the larger and more diverse MIR dataset for prediction of soil properties not well represented in current NIR libraries.

cs.LG↗

arXiv2025

Visual Exploration of Feature Relationships in Sparse Autoencoders with Curated Concepts

Sparse autoencoders (SAEs) have emerged as a powerful tool for uncovering interpretable features in large language models (LLMs) through the sparse directions they learn. However, the sheer number of extracted directions makes comprehensive exploration intractable. While conventional embedding techniques such as UMAP can reveal global structure, they suffer from limitations including high-dimensional compression artifacts, overplotting, and misleading neighborhood distortions. In this work, we propose a focused exploration framework that prioritizes curated concepts and their corresponding SAE features over attempts to visualize all available features simultaneously. We present an interactive visualization system that combines topology-based visual encoding with dimensionality reduction to faithfully represent both local and global relationships among selected features. This hybrid approach enables users to investigate SAE behavior through targeted, interpretable subsets, facilitating deeper and more nuanced analysis of concept representation in latent space.

cs.CL↗

arXiv2025

Scalable Autoregressive Deep Surrogates for Dendritic Microstructure Dynamics

Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance. While the phase-field method has emerged as a powerful computational tool for modeling microstructure dynamics, its high computational cost limits its integration into practical materials design workflows. Here, we introduce a machine-learning framework using autoregressive deep surrogates trained on short trajectories from quantitative phase-field simulations of alloy solidification in limited spatial domains. Once trained, these surrogates accurately predict dendritic evolution at scalable length and time scales, achieving a speed-up of more than two orders of magnitude. Demonstrations in isothermal growth and in directional solidification of a dilute Al-Cu alloy validate their ability to predict microstructure evolution. Quantitative comparisons with phase-field benchmarks further show excellent agreement in the tip-selection constant, morphological symmetry, and primary spacing evolution.

cond-mat.mtrl-sci↗

arXiv2025

Learning nuclear cross sections across the chart of nuclides with graph neural networks

In this work, we explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9x9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks holds significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

nucl-th↗

arXiv2025

An Evaluation-Centric Paradigm for Scientific Visualization Agents

Recent advances in multi-modal large language models (MLLMs) have enabled increasingly sophisticated autonomous visualization agents capable of translating user intentions into data visualizations. However, measuring progress and comparing different agents remains challenging, particularly in scientific visualization (SciVis), due to the absence of comprehensive, large-scale benchmarks for evaluating real-world capabilities. This position paper examines the various types of evaluation required for SciVis agents, outlines the associated challenges, provides a simple proof-of-concept evaluation example, and discusses how evaluation benchmarks can facilitate agent self-improvement. We advocate for a broader collaboration to develop a SciVis agentic evaluation benchmark that would not only assess existing capabilities but also drive innovation and stimulate future development in the field.

cs.HC↗

arXiv2025

Interpreting CFD Surrogates through Sparse Autoencoders

Learning-based surrogate models have become a practical alternative to high-fidelity CFD solvers, but their latent representations remain opaque and hinder adoption in safety-critical or regulation-bound settings. This work introduces a posthoc interpretability framework for graph-based surrogate models used in computational fluid dynamics (CFD) by leveraging sparse autoencoders (SAEs). By obtaining an overcomplete basis in the node embedding space of a pretrained surrogate, the method extracts a dictionary of interpretable latent features. The approach enables the identification of monosemantic concepts aligned with physical phenomena such as vorticity or flow structures, offering a model-agnostic pathway to enhance explainability and trustworthiness in CFD applications.

cs.CE↗

arXiv2025

ParaView-MCP: An Autonomous Visualization Agent with Direct Tool Use

While powerful and well-established, tools like ParaView present a steep learning curve that discourages many potential users. This work introduces ParaView-MCP, an autonomous agent that integrates modern multimodal large language models (MLLMs) with ParaView to not only lower the barrier to entry but also augment ParaView with intelligent decision support. By leveraging the state-of-the-art reasoning, command execution, and vision capabilities of MLLMs, ParaView-MCP enables users to interact with ParaView through natural language and visual inputs. Specifically, our system adopted the Model Context Protocol (MCP) - a standardized interface for model-application communication - that facilitates direct interaction between MLLMs with ParaView's Python API to allow seamless information exchange between the user, the language model, and the visualization tool itself. Furthermore, by implementing a visual feedback mechanism that allows the agent to observe the viewport, we unlock a range of new capabilities, including recreating visualizations from examples, closed-loop visualization parameter updates based on user-defined goals, and even cross-application collaboration involving multiple tools. Broadly, we believe such an agent-driven visualization paradigm can profoundly change the way we interact with visualization tools. We expect a significant uptake in the development of such visualization tools, in both visualization research and industry.

cs.HC↗

arXiv2025

See or Recall: A Sanity Check for the Role of Vision in Solving Visualization Question Answer Tasks with Multimodal LLMs

Recent developments in multimodal large language models (MLLM) have equipped language models to reason about vision and language jointly. This permits MLLMs to both perceive and answer questions about data visualization across a variety of designs and tasks. Applying MLLMs to a broad range of visualization tasks requires us to properly evaluate their capabilities, and the most common way to conduct evaluation is through measuring a model's visualization reasoning capability, analogous to how we would evaluate human understanding of visualizations (e.g., visualization literacy). However, we found that in the context of visualization question answering (VisQA), how an MLLM perceives and reasons about visualizations can be fundamentally different from how humans approach the same problem. During the evaluation, even without visualization, the model could correctly answer a substantial portion of the visualization test questions, regardless of whether any selection options were provided. We hypothesize that the vast amount of knowledge encoded in the language model permits factual recall that supersedes the need to seek information from the visual signal. It raises concerns that the current VisQA evaluation may not fully capture the models' visualization reasoning capabilities. To address this, we propose a comprehensive sanity check framework that integrates a rule-based decision tree and a sanity check table to disentangle the effects of "seeing" (visual processing) and "recall" (reliance on prior knowledge). This validates VisQA datasets for evaluation, highlighting where models are truly "seeing", positively or negatively affected by the factual recall, or relying on inductive biases for question answering. Our study underscores the need for careful consideration in designing future visualization understanding studies when utilizing MLLMs.

cs.HC↗

arXiv2024

The Visualization JUDGE : Can Multimodal Foundation Models Guide Visualization Design Through Visual Perception?

Foundation models for vision and language are the basis of AI applications across numerous sectors of society. The success of these models stems from their ability to mimic human capabilities, namely visual perception in vision models, and analytical reasoning in large language models. As visual perception and analysis are fundamental to data visualization, in this position paper we ask: how can we harness foundation models to advance progress in visualization design? Specifically, how can multimodal foundation models (MFMs) guide visualization design through visual perception? We approach these questions by investigating the effectiveness of MFMs for perceiving visualization, and formalizing the overall visualization design and optimization space. Specifically, we think that MFMs can best be viewed as judges, equipped with the ability to criticize visualizations, and provide us with actions on how to improve a visualization. We provide a deeper characterization for text-to-image generative models, and multi-modal large language models, organized by what these models provide as output, and how to utilize the output for guiding design decisions. We hope that our perspective can inspire researchers in visualization on how to approach MFMs for visualization design.

cs.HC↗

arXiv2024

Enhancing Accuracy and Parameter-Efficiency of Neural Representations for Network Parameterization

In this work, we investigate the fundamental trade-off regarding accuracy and parameter efficiency in the parameterization of neural network weights using predictor networks. We present a surprising finding that, when recovering the original model accuracy is the sole objective, it can be achieved effectively through the weight reconstruction objective alone. Additionally, we explore the underlying factors for improving weight reconstruction under parameter-efficiency constraints, and propose a novel training scheme that decouples the reconstruction objective from auxiliary objectives such as knowledge distillation that leads to significant improvements compared to state-of-the-art approaches. Finally, these results pave way for more practical scenarios, where one needs to achieve improvements on both model accuracy and predictor network parameter-efficiency simultaneously.

cs.LG↗

arXiv2024

Concept Lens: Visually Analyzing the Consistency of Semantic Manipulation in GANs

As applications of generative AI become mainstream, it is important to understand what generative models are capable of producing, and the extent to which one can predictably control their outputs. In this paper, we propose a visualization design, named Concept Lens, for jointly navigating the data distribution of a generative model, and concept manipulations supported by the model. Our work is focused on modern vision-based generative adversarial networks (GAN), and their learned latent spaces, wherein concept discovery has gained significant interest as a means of image manipulation. Concept Lens is designed to support users in understanding the diversity of a provided set of concepts, the relationship between concepts, and the suitability of concepts to give semantic controls for image generation. Key to our approach is the hierarchical grouping of concepts, generated images, and the associated joint exploration. We show how Concept Lens can reveal consistent semantic manipulations for editing images, while also serving as a diagnostic tool for studying the limitations and trade-offs of concept discovery methods.

cs.HC↗

arXiv2024

Visualization Literacy of Multimodal Large Language Models: A Comparative Study

The recent introduction of multimodal large language models (MLLMs) combine the inherent power of large language models (LLMs) with the renewed capabilities to reason about the multimodal context. The potential usage scenarios for MLLMs significantly outpace their text-only counterparts. Many recent works in visualization have demonstrated MLLMs' capability to understand and interpret visualization results and explain the content of the visualization to users in natural language. In the machine learning community, the general vision capabilities of MLLMs have been evaluated and tested through various visual understanding benchmarks. However, the ability of MLLMs to accomplish specific visualization tasks based on visual perception has not been properly explored and evaluated, particularly, from a visualization-centric perspective. In this work, we aim to fill the gap by utilizing the concept of visualization literacy to evaluate MLLMs. We assess MLLMs' performance over two popular visualization literacy evaluation datasets (VLAT and mini-VLAT). Under the framework of visualization literacy, we develop a general setup to compare different multimodal large language models (e.g., GPT4-o, Claude 3 Opus, Gemini 1.5 Pro) as well as against existing human baselines. Our study demonstrates MLLMs' competitive performance in visualization literacy, where they outperform humans in certain tasks such as identifying correlations, clusters, and hierarchical structures.

cs.CL↗

arXiv2024

Text-based Transfer Function Design for Semantic Volume Rendering

Transfer function design is crucial in volume rendering, as it directly influences the visual representation and interpretation of volumetric data. However, creating effective transfer functions that align with users' visual objectives is often challenging due to the complex parameter space and the semantic gap between transfer function values and features of interest within the volume. In this work, we propose a novel approach that leverages recent advancements in language-vision models to bridge this semantic gap. By employing a fully differentiable rendering pipeline and an image-based loss function guided by language descriptions, our method generates transfer functions that yield volume-rendered images closely matching the user's intent. We demonstrate the effectiveness of our approach in creating meaningful transfer functions from simple descriptions, empowering users to intuitively express their desired visual outcomes with minimal effort. This advancement streamlines the transfer function design process and makes volume rendering more accessible to a wider range of users.

cs.GR↗

arXiv2024

Transformer-Powered Surrogates Close the ICF Simulation-Experiment Gap with Extremely Limited Data

Recent advances in machine learning, specifically transformer architecture, have led to significant advancements in commercial domains. These powerful models have demonstrated superior capability to learn complex relationships and often generalize better to new data and problems. This paper presents a novel transformer-powered approach for enhancing prediction accuracy in multi-modal output scenarios, where sparse experimental data is supplemented with simulation data. The proposed approach integrates transformer-based architecture with a novel graph-based hyper-parameter optimization technique. The resulting system not only effectively reduces simulation bias, but also achieves superior prediction accuracy compared to the prior method. We demonstrate the efficacy of our approach on inertial confinement fusion experiments, where only 10 shots of real-world data are available, as well as synthetic versions of these experiments.

cs.LG↗

arXiv2023

AVA: Towards Autonomous Visualization Agents through Visual Perception-Driven Decision-Making

With recent advances in multi-modal foundation models, the previously text-only large language models (LLM) have evolved to incorporate visual input, opening up unprecedented opportunities for various applications in visualization. Our work explores the utilization of the visual perception ability of multi-modal LLMs to develop Autonomous Visualization Agents (AVAs) that can interpret and accomplish user-defined visualization objectives through natural language. We propose the first framework for the design of AVAs and present several usage scenarios intended to demonstrate the general applicability of the proposed paradigm. The addition of visual perception allows AVAs to act as the virtual visualization assistant for domain experts who may lack the knowledge or expertise in fine-tuning visualization outputs. Our preliminary exploration and proof-of-concept agents suggest that this approach can be widely applicable whenever the choices of appropriate visualization parameters require the interpretation of previous visual output. Feedback from unstructured interviews with experts in AI research, medical visualization, and radiology has been incorporated, highlighting the practicality and potential of AVAs. Our study indicates that AVAs represent a general paradigm for designing intelligent visualization systems that can achieve high-level visualization goals, which pave the way for developing expert-level visualization agents in the future.

cs.HC↗

arXiv2023

"Understanding Robustness Lottery": A Geometric Visual Comparative Analysis of Neural Network Pruning Approaches

Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks have been shown to be very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but empirical studies show that some heuristics improve performance whereas others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We decomposed and evaluated a set of critical geometric concepts from the common adopted classification loss, and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for in-depth comparison of pruning methods and a comprehensive understanding of how model response to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundant in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.

cs.HC↗

arXiv2023

Topological Data Analysis Guided Segment Anything Model Prompt Optimization for Zero-Shot Segmentation in Biological Imaging

Emerging foundation models in machine learning are models trained on vast amounts of data that have been shown to generalize well to new tasks. Often these models can be prompted with multi-modal inputs that range from natural language descriptions over images to point clouds. In this paper, we propose topological data analysis (TDA) guided prompt optimization for the Segment Anything Model (SAM) and show preliminary results in the biological image segmentation domain. Our approach replaces the standard grid search approach that is used in the original implementation and finds point locations based on their topological significance. Our results show that the TDA optimized point cloud is much better suited for finding small objects and massively reduces computational complexity despite the extra step in scenarios which require many segmentations.

cs.CV↗