School of Art, Design and Architecture, Monash University, Melbourne, Australia
Abstract:Large Language Models (LLMs) often exhibit slash attention patterns, where attention scores concentrate along the $Δ$-th sub-diagonal for some offset $Δ$. These patterns play a key role in passing information across tokens. But why do they emerge? In this paper, we demystify the emergence of these Slash-Dominant Heads (SDHs) from both empirical and theoretical perspectives. First, by analyzing open-source LLMs, we find that SDHs are intrinsic to models and generalize to out-of-distribution prompts. To explain the intrinsic emergence, we analyze the queries, keys, and Rotary Position Embedding (RoPE), which jointly determine attention scores. Our empirical analysis reveals two characteristic conditions of SDHs: (1) Queries and keys are almost rank-one, and (2) RoPE is dominated by medium- and high-frequency components. Under these conditions, queries and keys are nearly identical across tokens, and interactions between medium- and high-frequency components of RoPE give rise to SDHs. Beyond empirical evidence, we theoretically show that these conditions are sufficient to ensure the emergence of SDHs by formalizing them as our modeling assumptions. Particularly, we analyze the training dynamics of a shallow Transformer equipped with RoPE under these conditions, and prove that models trained via gradient descent exhibit SDHs. The SDHs generalize to out-of-distribution prompts.
Abstract:Policy optimization for large language models often suffers from sparse reward signals in multi-step reasoning tasks. Critic-free methods like GRPO assign a single normalized outcome reward to all tokens, providing limited guidance for intermediate reasoning . While Process Reward Models (PRMs) offer dense feedback, they risk premature collapse when used alone, as early low-reward tokens can drive policies toward truncated outputs. We introduce Process Relative Policy Optimization (PRPO), which combines outcome reliability with process-level guidance in a critic-free framework. PRPO segments reasoning sequences based on semantic clues, normalizes PRM scores into token-level advantages, and aligns their distribution with outcome advantages through location-parameter shift. On MATH500, PRPO improves Qwen2.5-Math-1.5B accuracy from 61.2% to 64.4% over GRPO using only eight rollouts and no value network, demonstrating efficient fine-grained credit assignment within critic-free optimization. Code is available at: https://github.com/SchumiDing/srpocode
Abstract:The multi-lead electrocardiogram (ECG) stands as a cornerstone of cardiac diagnosis. Recent strides in electrocardiogram self-supervised learning (eSSL) have brightened prospects for enhancing representation learning without relying on high-quality annotations. Yet earlier eSSL methods suffer a key limitation: they focus on consistent patterns across leads and beats, overlooking the inherent differences in heartbeats rooted in cardiac conduction processes, while subtle but significant variations carry unique physiological signatures. Moreover, representation learning for ECG analysis should align with ECG diagnostic guidelines, which progress from individual heartbeats to single leads and ultimately to lead combinations. This sequential logic, however, is often neglected when applying pre-trained models to downstream tasks. To address these gaps, we propose CLEAR-HUG, a two-stage framework designed to capture subtle variations in cardiac conduction across leads while adhering to ECG diagnostic guidelines. In the first stage, we introduce an eSSL model termed Conduction-LEAd Reconstructor (CLEAR), which captures both specific variations and general commonalities across heartbeats. Treating each heartbeat as a distinct entity, CLEAR employs a simple yet effective sparse attention mechanism to reconstruct signals without interference from other heartbeats. In the second stage, we implement a Hierarchical lead-Unified Group head (HUG) for disease diagnosis, mirroring clinical workflow. Experimental results across six tasks show a 6.84% improvement, validating the effectiveness of CLEAR-HUG. This highlights its ability to enhance representations of cardiac conduction and align patterns with expert diagnostic guidelines.




Abstract:Since Isaac Newton first studied the Kissing Number Problem in 1694, determining the maximal number of non-overlapping spheres around a central sphere has remained a fundamental challenge. This problem represents the local analogue of Hilbert's 18th problem on sphere packing, bridging geometry, number theory, and information theory. Although significant progress has been made through lattices and codes, the irregularities of high-dimensional geometry and exponentially growing combinatorial complexity beyond 8 dimensions, which exceeds the complexity of Go game, limit the scalability of existing methods. Here we model this problem as a two-player matrix completion game and train the game-theoretic reinforcement learning system, PackingStar, to efficiently explore high-dimensional spaces. The matrix entries represent pairwise cosines of sphere center vectors; one player fills entries while another corrects suboptimal ones, jointly maximizing the matrix size, corresponding to the kissing number. This cooperative dynamics substantially improves sample quality, making the extremely large spaces tractable. PackingStar reproduces previous configurations and surpasses all human-known records from dimensions 25 to 31, with the configuration in 25 dimensions geometrically corresponding to the Leech lattice and suggesting possible optimality. It achieves the first breakthrough beyond rational structures from 1971 in 13 dimensions and discovers over 6000 new structures in 14 and other dimensions. These results demonstrate AI's power to explore high-dimensional spaces beyond human intuition and open new pathways for the Kissing Number Problem and broader geometry problems.
Abstract:The generalization ability of deep learning has been extensively studied in supervised settings, yet it remains less explored in unsupervised scenarios. Recently, the Unsupervised Domain Generalization (UDG) task has been proposed to enhance the generalization of models trained with prevalent unsupervised learning techniques, such as Self-Supervised Learning (SSL). UDG confronts the challenge of distinguishing semantics from variations without category labels. Although some recent methods have employed domain labels to tackle this issue, such domain labels are often unavailable in real-world contexts. In this paper, we address these limitations by formalizing UDG as the task of learning a Minimal Sufficient Semantic Representation: a representation that (i) preserves all semantic information shared across augmented views (sufficiency), and (ii) maximally removes information irrelevant to semantics (minimality). We theoretically ground these objectives from the perspective of information theory, demonstrating that optimizing representations to achieve sufficiency and minimality directly reduces out-of-distribution risk. Practically, we implement this optimization through Minimal-Sufficient UDG (MS-UDG), a learnable model by integrating (a) an InfoNCE-based objective to achieve sufficiency; (b) two complementary components to promote minimality: a novel semantic-variation disentanglement loss and a reconstruction-based mechanism for capturing adequate variation. Empirically, MS-UDG sets a new state-of-the-art on popular unsupervised domain-generalization benchmarks, consistently outperforming existing SSL and UDG methods, without category or domain labels during representation learning.
Abstract:LayerNorm is pivotal in Vision Transformers (ViTs), yet its fine-tuning dynamics under data scarcity and domain shifts remain underexplored. This paper shows that shifts in LayerNorm parameters after fine-tuning (LayerNorm shifts) are indicative of the transitions between source and target domains; its efficacy is contingent upon the degree to which the target training samples accurately represent the target domain, as quantified by our proposed Fine-tuning Shift Ratio ($FSR$). Building on this, we propose a simple yet effective rescaling mechanism using a scalar $\lambda$ that is negatively correlated to $FSR$ to align learned LayerNorm shifts with those ideal shifts achieved under fully representative data, combined with a cyclic framework that further enhances the LayerNorm fine-tuning. Extensive experiments across natural and pathological images, in both in-distribution (ID) and out-of-distribution (OOD) settings, and various target training sample regimes validate our framework. Notably, OOD tasks tend to yield lower $FSR$ and higher $\lambda$ in comparison to ID cases, especially with scarce data, indicating under-represented target training samples. Moreover, ViTFs fine-tuned on pathological data behave more like ID settings, favoring conservative LayerNorm updates. Our findings illuminate the underexplored dynamics of LayerNorm in transfer learning and provide practical strategies for LayerNorm fine-tuning.
Abstract:Positron emission tomography (PET) is a cornerstone of modern oncologic and neurologic imaging, distinguished by its unique ability to illuminate dynamic metabolic processes that transcend the anatomical focus of traditional imaging technologies. Radiology reports are essential for clinical decision making, yet their manual creation is labor-intensive and time-consuming. Recent advancements of vision-language models (VLMs) have shown strong potential in medical applications, presenting a promising avenue for automating report generation. However, existing applications of VLMs in the medical domain have predominantly focused on structural imaging modalities, while the unique characteristics of molecular PET imaging have largely been overlooked. To bridge the gap, we introduce PET2Rep, a large-scale comprehensive benchmark for evaluation of general and medical VLMs for radiology report generation for PET images. PET2Rep stands out as the first dedicated dataset for PET report generation with metabolic information, uniquely capturing whole-body image-report pairs that cover dozens of organs to fill the critical gap in existing benchmarks and mirror real-world clinical comprehensiveness. In addition to widely recognized natural language generation metrics, we introduce a series of clinical efficiency metrics to evaluate the quality of radiotracer uptake pattern description in key organs in generated reports. We conduct a head-to-head comparison of 30 cutting-edge general-purpose and medical-specialized VLMs. The results show that the current state-of-the-art VLMs perform poorly on PET report generation task, falling considerably short of fulfilling practical needs. Moreover, we identify several key insufficiency that need to be addressed to advance the development in medical applications.
Abstract:While pathology foundation models have transformed cancer image analysis, they often lack integration with molecular data at single-cell resolution, limiting their utility for precision oncology. Here, we present PAST, a pan-cancer single-cell foundation model trained on 20 million paired histopathology images and single-cell transcriptomes spanning multiple tumor types and tissue contexts. By jointly encoding cellular morphology and gene expression, PAST learns unified cross-modal representations that capture both spatial and molecular heterogeneity at the cellular level. This approach enables accurate prediction of single-cell gene expression, virtual molecular staining, and multimodal survival analysis directly from routine pathology slides. Across diverse cancers and downstream tasks, PAST consistently exceeds the performance of existing approaches, demonstrating robust generalizability and scalability. Our work establishes a new paradigm for pathology foundation models, providing a versatile tool for high-resolution spatial omics, mechanistic discovery, and precision cancer research.
Abstract:3D medical image self-supervised learning (mSSL) holds great promise for medical analysis. Effectively supporting broader applications requires considering anatomical structure variations in location, scale, and morphology, which are crucial for capturing meaningful distinctions. However, previous mSSL methods partition images with fixed-size patches, often ignoring the structure variations. In this work, we introduce a novel perspective on 3D medical images with the goal of learning structure-aware representations. We assume that patches within the same structure share the same semantics (semantic consistency) while those from different structures exhibit distinct semantics (semantic discrepancy). Based on this assumption, we propose an mSSL framework named $S^2DC$, achieving Structure-aware Semantic Discrepancy and Consistency in two steps. First, $S^2DC$ enforces distinct representations for different patches to increase semantic discrepancy by leveraging an optimal transport strategy. Second, $S^2DC$ advances semantic consistency at the structural level based on neighborhood similarity distribution. By bridging patch-level and structure-level representations, $S^2DC$ achieves structure-aware representations. Thoroughly evaluated across 10 datasets, 4 tasks, and 3 modalities, our proposed method consistently outperforms the state-of-the-art methods in mSSL.




Abstract:We propose Network Automatic Relevance Determination (NARD), an extension of ARD for linearly probabilistic models, to simultaneously model sparse relationships between inputs $X \in \mathbb R^{d \times N}$ and outputs $Y \in \mathbb R^{m \times N}$, while capturing the correlation structure among the $Y$. NARD employs a matrix normal prior which contains a sparsity-inducing parameter to identify and discard irrelevant features, thereby promoting sparsity in the model. Algorithmically, it iteratively updates both the precision matrix and the relationship between $Y$ and the refined inputs. To mitigate the computational inefficiencies of the $\mathcal O(m^3 + d^3)$ cost per iteration, we introduce Sequential NARD, which evaluates features sequentially, and a Surrogate Function Method, leveraging an efficient approximation of the marginal likelihood and simplifying the calculation of determinant and inverse of an intermediate matrix. Combining the Sequential update with the Surrogate Function method further reduces computational costs. The computational complexity per iteration for these three methods is reduced to $\mathcal O(m^3+p^3)$, $\mathcal O(m^3 + d^2)$, $\mathcal O(m^3+p^2)$, respectively, where $p \ll d$ is the final number of features in the model. Our methods demonstrate significant improvements in computational efficiency with comparable performance on both synthetic and real-world datasets.