"Nuclear Deployed!": Analyzing Catastrophic Risks in Decision-making of Autonomous LLM Agents

Large language models (LLMs) are evolving into autonomous decision-makers, raising concerns about catastrophic risks in high-stakes scenarios, particularly in Chemical, Biological, Radiological and Nuclear (CBRN) domains. Based on the insight that such risks can originate from trade-offs between the agent's Helpful, Harmlessness and Honest (HHH) goals, we build a novel three-stage evaluation framework, which is carefully constructed to effectively and naturally expose such risks. We conduct 14,400 agentic simulations across 12 advanced LLMs, with extensive experiments and analysis. Results reveal that LLM agents can autonomously engage in catastrophic behaviors and deception, without being deliberately induced. Furthermore, stronger reasoning abilities often increase, rather than mitigate, these risks. We also show that these agents can violate instructions and superior commands. On the whole, we empirically prove the existence of catastrophic risks in autonomous LLM agents. We will release our code upon request.

Graph Canonical Correlation Analysis

Canonical correlation analysis (CCA) is a widely used technique for estimating associations between two sets of multi-dimensional variables. Recent advancements in CCA methods have expanded their application to decipher the interactions of multiomics datasets, imaging-omics datasets, and more. However, conventional CCA methods are limited in their ability to incorporate structured patterns in the cross-correlation matrix, potentially leading to suboptimal estimations. To address this limitation, we propose the graph Canonical Correlation Analysis (gCCA) approach, which calculates canonical correlations based on the graph structure of the cross-correlation matrix between the two sets of variables. We develop computationally efficient algorithms for gCCA, and provide theoretical results for finite sample analysis of best subset selection and canonical correlation estimation by introducing concentration inequalities and stopping time rule based on martingale theories. Extensive simulations demonstrate that gCCA outperforms competing CCA methods. Additionally, we apply gCCA to a multiomics dataset of DNA methylation and RNA-seq transcriptomics, identifying both positively and negatively regulated gene expression pathways by DNA methylation pathways.

Label Distribution Learning with Biased Annotations by Learning Multi-Label Representation

Multi-label learning (MLL) has gained attention for its ability to represent real-world data. Label Distribution Learning (LDL), an extension of MLL to learning from label distributions, faces challenges in collecting accurate label distributions. To address the issue of biased annotations, based on the low-rank assumption, existing works recover true distributions from biased observations by exploring the label correlations. However, recent evidence shows that the label distribution tends to be full-rank, and naive apply of low-rank approximation on biased observation leads to inaccurate recovery and performance degradation. In this paper, we address the LDL with biased annotations problem from a novel perspective, where we first degenerate the soft label distribution into a hard multi-hot label and then recover the true label information for each instance. This idea stems from an insight that assigning hard multi-hot labels is often easier than assigning a soft label distribution, and it shows stronger immunity to noise disturbances, leading to smaller label bias. Moreover, assuming that the multi-label space for predicting label distributions is low-rank offers a more reasonable approach to capturing label correlations. Theoretical analysis and experiments confirm the effectiveness and robustness of our method on real-world datasets.

OpticFusion: Multi-Modal Neural Implicit 3D Reconstruction of Microstructures by Fusing White Light Interferometry and Optical Microscopy

White Light Interferometry (WLI) is a precise optical tool for measuring the 3D topography of microstructures. However, conventional WLI cannot capture the natural color of a sample's surface, which is essential for many microscale research applications that require both 3D geometry and color information. Previous methods have attempted to overcome this limitation by modifying WLI hardware and analysis software, but these solutions are often costly. In this work, we address this challenge from a computer vision multi-modal reconstruction perspective for the first time. We introduce OpticFusion, a novel approach that uses an additional digital optical microscope (OM) to achieve 3D reconstruction with natural color textures using multi-view WLI and OM images. Our method employs a two-step data association process to obtain the poses of WLI and OM data. By leveraging the neural implicit representation, we fuse multi-modal data and apply color decomposition technology to extract the sample's natural color. Tested on our multi-modal dataset of various microscale samples, OpticFusion achieves detailed 3D reconstructions with color textures. Our method provides an effective tool for practical applications across numerous microscale research fields. The source code and our real-world dataset are available at https://github.com/zju3dv/OpticFusion.

Towards Better Spherical Sliced-Wasserstein Distance Learning with Data-Adaptive Discriminative Projection Direction

Spherical Sliced-Wasserstein (SSW) has recently been proposed to measure the discrepancy between spherical data distributions in various fields, such as geology, medical domains, computer vision, and deep representation learning. However, in the original SSW, all projection directions are treated equally, which is too idealistic and cannot accurately reflect the importance of different projection directions for various data distributions. To address this issue, we propose a novel data-adaptive Discriminative Spherical Sliced-Wasserstein (DSSW) distance, which utilizes a projected energy function to determine the discriminative projection direction for SSW. In our new DSSW, we introduce two types of projected energy functions to generate the weights for projection directions with complete theoretical guarantees. The first type employs a non-parametric deterministic function that transforms the projected Wasserstein distance into its corresponding weight in each projection direction. This improves the performance of the original SSW distance with negligible additional computational overhead. The second type utilizes a neural network-induced function that learns the projection direction weight through a parameterized neural network based on data projections. This further enhances the performance of the original SSW distance with less extra computational overhead. Finally, we evaluate the performance of our proposed DSSW by comparing it with several state-of-the-art methods across a variety of machine learning tasks, including gradient flows, density estimation on real earth data, and self-supervised learning.

Hybrid Data-Free Knowledge Distillation

Data-free knowledge distillation aims to learn a compact student network from a pre-trained large teacher network without using the original training data of the teacher network. Existing collection-based and generation-based methods train student networks by collecting massive real examples and generating synthetic examples, respectively. However, they inevitably become weak in practical scenarios due to the difficulties in gathering or emulating sufficient real-world data. To solve this problem, we propose a novel method called \textbf{H}ybr\textbf{i}d \textbf{D}ata-\textbf{F}ree \textbf{D}istillation (HiDFD), which leverages only a small amount of collected data as well as generates sufficient examples for training student networks. Our HiDFD comprises two primary modules, \textit{i.e.}, the teacher-guided generation and student distillation. The teacher-guided generation module guides a Generative Adversarial Network (GAN) by the teacher network to produce high-quality synthetic examples from very few real-world collected examples. Specifically, we design a feature integration mechanism to prevent the GAN from overfitting and facilitate the reliable representation learning from the teacher network. Meanwhile, we drive a category frequency smoothing technique via the teacher network to balance the generative training of each category. In the student distillation module, we explore a data inflation strategy to properly utilize a blend of real and synthetic data to train the student network via a classifier-sharing-based feature alignment technique. Intensive experiments across multiple benchmarks demonstrate that our HiDFD can achieve state-of-the-art performance using 120 times less collected data than existing methods. Code is available at https://github.com/tangjialiang97/HiDFD.

Modeling Inter-Intra Heterogeneity for Graph Federated Learning

Heterogeneity is a fundamental and challenging issue in federated learning, especially for the graph data due to the complex relationships among the graph nodes. To deal with the heterogeneity, lots of existing methods perform the weighted federation based on their calculated similarities between pairwise clients (i.e., subgraphs). However, their inter-subgraph similarities estimated with the outputs of local models are less reliable, because the final outputs of local models may not comprehensively represent the real distribution of subgraph data. In addition, they ignore the critical intra-heterogeneity which usually exists within each subgraph itself. To address these issues, we propose a novel Federated learning method by integrally modeling the Inter-Intra Heterogeneity (FedIIH). For the inter-subgraph relationship, we propose a novel hierarchical variational model to infer the whole distribution of subgraph data in a multi-level form, so that we can accurately characterize the inter-subgraph similarities with the global perspective. For the intra-heterogeneity, we disentangle the subgraph into multiple latent factors and partition the model parameters into multiple parts, where each part corresponds to a single latent factor. Our FedIIH not only properly computes the distribution similarities between subgraphs, but also learns disentangled representations that are robust to irrelevant factors within subgraphs, so that it successfully considers the inter- and intra- heterogeneity simultaneously. Extensive experiments on six homophilic and five heterophilic graph datasets in both non-overlapping and overlapping settings demonstrate the effectiveness of our method when compared with nine state-of-the-art methods. Specifically, FedIIH averagely outperforms the second-best method by a large margin of 5.79% on all heterophilic datasets.

PERFT: Parameter-Efficient Routed Fine-Tuning for Mixture-of-Expert Model

The Mixture-of-Experts (MoE) paradigm has emerged as a powerful approach for scaling transformers with improved resource utilization. However, efficiently fine-tuning MoE models remains largely underexplored. Inspired by recent works on Parameter-Efficient Fine-Tuning (PEFT), we present a unified framework for integrating PEFT modules directly into the MoE mechanism. Aligning with the core principles and architecture of MoE, our framework encompasses a set of design dimensions including various functional and composition strategies. By combining design choices within our framework, we introduce Parameter-Efficient Routed Fine-Tuning (PERFT) as a flexible and scalable family of PEFT strategies tailored for MoE models. Extensive experiments on adapting OLMoE-1B-7B and Mixtral-8$\times$7B for commonsense and arithmetic reasoning tasks demonstrate the effectiveness, scalability, and intriguing dynamics of PERFT. Additionally, we provide empirical findings for each specific design choice to facilitate better application of MoE and PEFT.

DimensionX: Create Any 3D and 4D Scenes from a Single Image with Controllable Video Diffusion

In this paper, we introduce \textbf{DimensionX}, a framework designed to generate photorealistic 3D and 4D scenes from just a single image with video diffusion. Our approach begins with the insight that both the spatial structure of a 3D scene and the temporal evolution of a 4D scene can be effectively represented through sequences of video frames. While recent video diffusion models have shown remarkable success in producing vivid visuals, they face limitations in directly recovering 3D/4D scenes due to limited spatial and temporal controllability during generation. To overcome this, we propose ST-Director, which decouples spatial and temporal factors in video diffusion by learning dimension-aware LoRAs from dimension-variant data. This controllable video diffusion approach enables precise manipulation of spatial structure and temporal dynamics, allowing us to reconstruct both 3D and 4D representations from sequential frames with the combination of spatial and temporal dimensions. Additionally, to bridge the gap between generated videos and real-world scenes, we introduce a trajectory-aware mechanism for 3D generation and an identity-preserving denoising strategy for 4D generation. Extensive experiments on various real-world and synthetic datasets demonstrate that DimensionX achieves superior results in controllable video generation, as well as in 3D and 4D scene generation, compared with previous methods.

Novel Object Synthesis via Adaptive Text-Image Harmony

In this paper, we study an object synthesis task that combines an object text with an object image to create a new object image. However, most diffusion models struggle with this task, \textit{i.e.}, often generating an object that predominantly reflects either the text or the image due to an imbalance between their inputs. To address this issue, we propose a simple yet effective method called Adaptive Text-Image Harmony (ATIH) to generate novel and surprising objects. First, we introduce a scale factor and an injection step to balance text and image features in cross-attention and to preserve image information in self-attention during the text-image inversion diffusion process, respectively. Second, to better integrate object text and image, we design a balanced loss function with a noise parameter, ensuring both optimal editability and fidelity of the object image. Third, to adaptively adjust these parameters, we present a novel similarity score function that not only maximizes the similarities between the generated object image and the input text/image but also balances these similarities to harmonize text and image integration. Extensive experiments demonstrate the effectiveness of our approach, showcasing remarkable object creations such as colobus-glass jar. Project page: https://xzr52.github.io/ATIH/.