MIND: AI Co-Scientist for Material Research

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for automated hypothesis validation in materials research. MIND organizes the scientific discovery process into hypothesis refinement, experimentation, and debate-based validation within a multi-agent pipeline. For experimental verification, the system integrates Machine Learning Interatomic Potentials, particularly SevenNet-Omni, enabling scalable in-silico experiments. We also provide a web-based user interface for automated hypothesis testing. The modular design allows additional experimental modules to be integrated, making the framework adaptable to broader scientific workflows. The code is available at: https://github.com/IMMS-Ewha/MIND, and a demonstration video at: https://youtu.be/lqiFe1OQzN4.

Optimal Brain Decomposition for Accurate LLM Low-Rank Approximation

Low-rank decomposition has emerged as an important problem in Large Language Model (LLM) fine-tuning and inference. Through Singular Value Decomposition (SVD), the weight matrix can be factorized into low-rank spaces optimally. Previously, a common practice was to decompose the weight in the activation-whitened space, and then achieve satisfying results. In this work, we propose Optimal Brain Decomposition LLM (OBD-LLM), which studies the decomposition problem in the model space by utilizing second-order Hessian information. Through a rigorous Kronecker-factorization of the Hessian, we show that the decomposition needs to consider both input and output information of the layer, and achieves much better decomposition results compared to input only method. Our loss-aware decomposition method involves a bi-directional whitening on the weight matrix. As a result, OBD-LLM is a closed-form solution for the optimal decomposition of weights in the language model. Remarkably, we achieve ~20-40\% better results than previous state-of-the-art decomposition methods, the SVD-LLM.

GS-Scale: Unlocking Large-Scale 3D Gaussian Splatting Training via Host Offloading

The advent of 3D Gaussian Splatting has revolutionized graphics rendering by delivering high visual quality and fast rendering speeds. However, training large-scale scenes at high quality remains challenging due to the substantial memory demands required to store parameters, gradients, and optimizer states, which can quickly overwhelm GPU memory. To address these limitations, we propose GS-Scale, a fast and memory-efficient training system for 3D Gaussian Splatting. GS-Scale stores all Gaussians in host memory, transferring only a subset to the GPU on demand for each forward and backward pass. While this dramatically reduces GPU memory usage, it requires frustum culling and optimizer updates to be executed on the CPU, introducing slowdowns due to CPU's limited compute and memory bandwidth. To mitigate this, GS-Scale employs three system-level optimizations: (1) selective offloading of geometric parameters for fast frustum culling, (2) parameter forwarding to pipeline CPU optimizer updates with GPU computation, and (3) deferred optimizer update to minimize unnecessary memory accesses for Gaussians with zero gradients. Our extensive evaluations on large-scale datasets demonstrate that GS-Scale significantly lowers GPU memory demands by 3.3-5.6x, while achieving training speeds comparable to GPU without host offloading. This enables large-scale 3D Gaussian Splatting training on consumer-grade GPUs; for instance, GS-Scale can scale the number of Gaussians from 4 million to 18 million on an RTX 4070 Mobile GPU, leading to 23-35% LPIPS (learned perceptual image patch similarity) improvement.

GPTQv2: Efficient Finetuning-Free Quantization for Asymmetric Calibration

We introduce GPTQv2, a novel finetuning-free quantization method for compressing large-scale transformer architectures. Unlike the previous GPTQ method, which independently calibrates each layer, we always match the quantized layer's output to the exact output in the full-precision model, resulting in a scheme that we call asymmetric calibration. Such a scheme can effectively reduce the quantization error accumulated in previous layers. We analyze this problem using optimal brain compression to derive a close-formed solution. The new solution explicitly minimizes the quantization error as well as the accumulated asymmetry error. Furthermore, we utilize various techniques to parallelize the solution calculation, including channel parallelization, neuron decomposition, and Cholesky reformulation for matrix fusion. As a result, GPTQv2 is easy to implement, simply using 20 more lines of code than GPTQ but improving its performance under low-bit quantization. Remarkably, on a single GPU, we quantize a 405B language transformer as well as EVA-02 the rank first vision transformer that achieves 90% pretraining Imagenet accuracy. Code is available at github.com/Intelligent-Computing-Lab-Yale/GPTQv2.

Do Vision Models Develop Human-Like Progressive Difficulty Understanding?

When a human undertakes a test, their responses likely follow a pattern: if they answered an easy question $(2 \times 3)$ incorrectly, they would likely answer a more difficult one $(2 \times 3 \times 4)$ incorrectly; and if they answered a difficult question correctly, they would likely answer the easy one correctly. Anything else hints at memorization. Do current visual recognition models exhibit a similarly structured learning capacity? In this work, we consider the task of image classification and study if those models' responses follow that pattern. Since real images aren't labeled with difficulty, we first create a dataset of 100 categories, 10 attributes, and 3 difficulty levels using recent generative models: for each category (e.g., dog) and attribute (e.g., occlusion), we generate images of increasing difficulty (e.g., a dog without occlusion, a dog only partly visible). We find that most of the models do in fact behave similarly to the aforementioned pattern around 80-90% of the time. Using this property, we then explore a new way to evaluate those models. Instead of testing the model on every possible test image, we create an adaptive test akin to GRE, in which the model's performance on the current round of images determines the test images in the next round. This allows the model to skip over questions too easy/hard for itself, and helps us get its overall performance in fewer steps.

Building a Mind Palace: Structuring Environment-Grounded Semantic Graphs for Effective Long Video Analysis with LLMs

Long-form video understanding with Large Vision Language Models is challenged by the need to analyze temporally dispersed yet spatially concentrated key moments within limited context windows. In this work, we introduce VideoMindPalace, a new framework inspired by the "Mind Palace", which organizes critical video moments into a topologically structured semantic graph. VideoMindPalace organizes key information through (i) hand-object tracking and interaction, (ii) clustered activity zones representing specific areas of recurring activities, and (iii) environment layout mapping, allowing natural language parsing by LLMs to provide grounded insights on spatio-temporal and 3D context. In addition, we propose the Video MindPalace Benchmark (VMB), to assess human-like reasoning, including spatial localization, temporal reasoning, and layout-aware sequential understanding. Evaluated on VMB and established video QA datasets, including EgoSchema, NExT-QA, IntentQA, and the Active Memories Benchmark, VideoMindPalace demonstrates notable gains in spatio-temporal coherence and human-aligned reasoning, advancing long-form video analysis capabilities in VLMs.

Prompt Infection: LLM-to-LLM Prompt Injection within Multi-Agent Systems

As Large Language Models (LLMs) grow increasingly powerful, multi-agent systems are becoming more prevalent in modern AI applications. Most safety research, however, has focused on vulnerabilities in single-agent LLMs. These include prompt injection attacks, where malicious prompts embedded in external content trick the LLM into executing unintended or harmful actions, compromising the victim's application. In this paper, we reveal a more dangerous vector: LLM-to-LLM prompt injection within multi-agent systems. We introduce Prompt Infection, a novel attack where malicious prompts self-replicate across interconnected agents, behaving much like a computer virus. This attack poses severe threats, including data theft, scams, misinformation, and system-wide disruption, all while propagating silently through the system. Our extensive experiments demonstrate that multi-agent systems are highly susceptible, even when agents do not publicly share all communications. To address this, we propose LLM Tagging, a defense mechanism that, when combined with existing safeguards, significantly mitigates infection spread. This work underscores the urgent need for advanced security measures as multi-agent LLM systems become more widely adopted.

Spiking Transformer with Spatial-Temporal Attention

Spiking Neural Networks (SNNs) present a compelling and energy-efficient alternative to traditional Artificial Neural Networks (ANNs) due to their sparse binary activation. Leveraging the success of the transformer architecture, the spiking transformer architecture is explored to scale up dataset size and performance. However, existing works only consider the spatial self-attention in spiking transformer, neglecting the inherent temporal context across the timesteps. In this work, we introduce Spiking Transformer with Spatial-Temporal Attention (STAtten), a simple and straightforward architecture designed to integrate spatial and temporal information in self-attention with negligible additional computational load. The STAtten divides the temporal or token index and calculates the self-attention in a cross-manner to effectively incorporate spatial-temporal information. We first verify our spatial-temporal attention mechanism's ability to capture long-term temporal dependencies using sequential datasets. Moreover, we validate our approach through extensive experiments on varied datasets, including CIFAR10/100, ImageNet, CIFAR10-DVS, and N-Caltech101. Notably, our cross-attention mechanism achieves an accuracy of 78.39 % on the ImageNet dataset.

ReSpike: Residual Frames-based Hybrid Spiking Neural Networks for Efficient Action Recognition

Spiking Neural Networks (SNNs) have emerged as a compelling, energy-efficient alternative to traditional Artificial Neural Networks (ANNs) for static image tasks such as image classification and segmentation. However, in the more complex video classification domain, SNN-based methods fall considerably short of ANN-based benchmarks due to the challenges in processing dense frame sequences. To bridge this gap, we propose ReSpike, a hybrid framework that synergizes the strengths of ANNs and SNNs to tackle action recognition tasks with high accuracy and low energy cost. By decomposing film clips into spatial and temporal components, i.e., RGB image Key Frames and event-like Residual Frames, ReSpike leverages ANN for learning spatial information and SNN for learning temporal information. In addition, we propose a multi-scale cross-attention mechanism for effective feature fusion. Compared to state-of-the-art SNN baselines, our ReSpike hybrid architecture demonstrates significant performance improvements (e.g., >30% absolute accuracy improvement on HMDB-51, UCF-101, and Kinetics-400). Furthermore, ReSpike achieves comparable performance with prior ANN approaches while bringing better accuracy-energy tradeoff.

Decoupled Marked Temporal Point Process using Neural Ordinary Differential Equations

A Marked Temporal Point Process (MTPP) is a stochastic process whose realization is a set of event-time data. MTPP is often used to understand complex dynamics of asynchronous temporal events such as money transaction, social media, healthcare, etc. Recent studies have utilized deep neural networks to capture complex temporal dependencies of events and generate embedding that aptly represent the observed events. While most previous studies focus on the inter-event dependencies and their representations, how individual events influence the overall dynamics over time has been under-explored. In this regime, we propose a Decoupled MTPP framework that disentangles characterization of a stochastic process into a set of evolving influences from different events. Our approach employs Neural Ordinary Differential Equations (Neural ODEs) to learn flexible continuous dynamics of these influences while simultaneously addressing multiple inference problems, such as density estimation and survival rate computation. We emphasize the significance of disentangling the influences by comparing our framework with state-of-the-art methods on real-life datasets, and provide analysis on the model behavior for potential applications.