We present, a novel definition inspired by Lipschitz continuity which aims to certify the robustness of neural networks across input domains (such as continuous and discrete domains in vision and language, respectively). Most existing approaches that seek to certify robustness, especially Lipschitz continuity, lie within the continuous domain with norm and distribution-dependent guarantees. In contrast, our proposed definition yields certification guarantees that depend only on the loss function and the intermediate learned metric spaces of the neural network. These bounds are independent of domain modality, norms, and distribution. We further demonstrate that the expressiveness of a model class is not at odds with its knowledge continuity. This implies that achieving robustness by maximizing knowledge continuity should not theoretically hinder inferential performance. Finally, to complement our theoretical results, we present several applications of knowledge continuity such as regularization, a certification algorithm, and show that knowledge continuity can be used to localize vulnerable components of a neural network.

Researchers have been studying approaches to steer the behavior of Large Language Models (LLMs) and build personalized LLMs tailored for various applications. While fine-tuning seems to be a direct solution, it requires substantial computational resources and may significantly affect the utility of the original LLM. Recent endeavors have introduced more lightweight strategies, focusing on extracting ``steering vectors'' to guide the model's output toward desired behaviors by adjusting activations within specific layers of the LLM's transformer architecture. However, such steering vectors are directly extracted from the activations of human preference data and thus often lead to suboptimal results and occasional failures, especially in alignment-related scenarios.In this work, we propose an innovative approach that could produce more effective steering vectors through bi-directional preference optimization. Our method is designed to allow steering vectors to directly influence the generation probability of contrastive human preference data pairs, thereby offering a more precise representation of the target behavior.

Tuning scientific and probabilistic machine learning models - for example, partial differential equations, Gaussian processes, or Bayesian neural networks - often relies on evaluating functions of matrices whose size grows with the data set or the number of parameters.While the state-of-the-art for these quantities is almost always based on Lanczos and Arnoldi iterations, the present work is the first to explain how to these workhorses of numerical linear algebra efficiently.To get there, we derive previously unknown adjoint systems for Lanczos and Arnoldi iterations, implement them in JAX, and show that the resulting code can compete with Diffrax when it comes to differentiating PDEs, GPyTorch for selecting Gaussian process models and beats standard factorisation methods for calibrating Bayesian neural networks.All this is achieved without any problem-specific code optimisation.Find the code at [link redacted] and install the library with .

Transformer-based object detectors have shown competitive performance recently. Compared with convolutional neural networks limited by the relatively small receptive fields, the advantage of transformer for visual tasks is the capacity to perceive long-range dependencies among all image patches, while the deficiency is that the local fine-grained information is not fully excavated. In this paper, we introduce the Coarse-grained and Fine-grained crossing representations to build an efficient Detection Transformer (CFDT). Specifically, we propose a local-global cross fusion module to establish the connection between local fine-grained features and global coarse-grained features. Besides, we propose a coarse-fine aware neck which enables detection tokens to interact with both coarse-grained and fine-grained features. Furthermore, an efficient feature integration module is presented for fusing multi-scale representations from different stages. Experimental results on the COCO dataset demonstrate the effectiveness of the proposed method. For instance, our CFDT achieves 48.1 AP with 173G FLOPs, which possesses higher accuracy and less computation compared with the state-of-the-art transformer-based detector ViDT.

We introduce Equivariant Neural Diffusion (END), a novel diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Compared to current state-of-the-art equivariant diffusion models, the key innovation in END lies in its learnable forward process for enhanced generative modelling. Rather than pre-specified, the forward process is parameterized through a time-and data-dependent transformation that is equivariant to rigid transformations. Through a series of experiments on standard molecule generation benchmarks, we demonstrate the competitive performance of END compared to several strong baselines for both unconditional and conditional generation.

Believable agents can empower interactive applications ranging from immersive environments to rehearsal spaces for interpersonal communication. Recently, generative agents have been proposed to simulate believable human behavior by using Large Language Models. However, the existing method heavily relies on human-annotated agent profiles (e.g., name, age, personality, relationships with others, and so on) for the initialization of each agent, which cannot be scaled up easily. In this paper, we propose a scalable RoleAgent framework to generate high-quality role-playing agents from raw scripts, which includes building and interacting stages. Specifically, in the building stage, we use a hierarchical memory system to extract and summarize the structure and high-level information of each agent for the raw script. In the interacting stage, we propose a novel innovative mechanism with four steps to achieve a high-quality interaction between agents. Finally, we introduce a systematic and comprehensive evaluation benchmark called RoleAgentBench to evaluate the effectiveness of our RoleAgent, which includes 100 and 28 roles for 20 English and 5 Chinese scripts, respectively. Extensive experimental results on RoleAgentBench demonstrate the effectiveness of RoleAgent.

Out-of-distribution (OOD) detection is critical for deploying machine learning models in the open world. To design scoring functions that discern OOD data from the in-distribution (ID) cases from a pre-trained discriminative model, existing methods tend to make rigorous distributional assumptions either explicitly or implicitly due to the lack of knowledge about the learned feature space in advance. The mismatch between the learned and assumed distributions motivates us to raise a fundamental yet under-explored question: \textit{Is it possible to deterministically model the feature distribution while pre-training a discriminative model?}This paper gives an affirmative answer to this question by presenting a Distributional Representation Learning (\texttt{DRL}) framework for OOD detection. In particular, \texttt{DRL} explicitly enforces the underlying feature space to conform to a pre-defined mixture distribution, together with an online approximation of normalization constants to enable end-to-end training. Furthermore, we formulate \texttt{DRL} into a provably convergent Expectation-Maximization algorithm to avoid trivial solutions and rearrange the sequential sampling to guide the training consistency. Extensive evaluations across mainstream OOD detection benchmarks empirically manifest the superiority of the proposed \texttt{DRL} over its advanced counterparts.

In the Integrated Circuit (IC) design flow, floorplanning (FP) determines the position and shape of each block. Serving as a prototype for downstream tasks, it is critical and establishes the upper bound of the final PPA (Power, Performance, Area). However, with the emergence of 3D IC with stacked layers, existing methods are not flexible enough to handle the versatile constraints. Besides, they typically face difficulties in aligning the cross-die modules in 3D ICs due to their heuristic representations, which could potentially result in severe data transfer failures. To address these issues, we propose FlexPlanner, a flexible learning-based method in hybrid action space with multi-modality representation to simultaneously handle position, aspect ratio, and alignment of blocks. To our best knowledge, FlexPlanner is the first learning-based approach to discard heuristic-based search in the 3D FP task. Thus, the solution space is not limited by the heuristic floorplanning representation, allowing for significant improvements in both wirelength and alignment scores. Specifically, FlexPlanner models 3D FP based on multi-modalities, including vision, graph, and sequence. To address the non-trivial heuristic-dependent issue, we design a sophisticated policy network with hybrid action space and asynchronous layer decision mechanism that allow for determining the versatile properties of each block.

Graph Neural Networks (GNNs) excel across various applications but remain vulnerable to adversarial attacks, particularly Graph Injection Attacks (GIAs), which inject malicious nodes into the original graph and pose realistic threats.Text-attributed graphs (TAGs), where nodes are associated with textual features, are crucial due to their prevalence in real-world applications and are commonly used to evaluate these vulnerabilities.However, existing research only focuses on embedding-level GIAs, which inject node embeddings rather than actual textual content, limiting their applicability and simplifying detection.In this paper, we pioneer the exploration of GIAs at the text level, presenting three novel attack designs that inject textual content into the graph.Through theoretical and empirical analysis, we demonstrate that text interpretability, a factor previously overlooked at the embedding level, plays a crucial role in attack strength. Among the designs we investigate, the Word-frequency-based Text-level GIA (WTGIA) is particularly notable for its balance between performance and interpretability. Despite the success of WTGIA, we discover that defenders can easily enhance their defenses with customized text embedding methods or large language model (LLM)--based predictors. These insights underscore the necessity for further research into the potential and practical significance of text-level GIAs.

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