Conformal prediction constructs a set of labels instead of a single point prediction, while providing a probabilistic coverage guarantee. Beyond the coverage guarantee, adaptiveness to example difficulty is an important property. It means that the method should produce larger prediction sets for more difficult examples, and smaller ones for easier examples. Existing evaluation methods for adaptiveness typically analyze coverage rate violation or average set size across bins of examples grouped by difficulty. However, these approaches often suffer from imbalanced binning, which can lead to inaccurate estimates of coverage or set size. To address this issue, we propose a binning method that leverages input transformations to sort examples by difficulty, followed by uniform-mass binning. Building on this binning, we introduce two metrics to better evaluate adaptiveness. These metrics provide more reliable estimates of coverage rate violation and average set size due to balanced binning, leading to more accurate adaptivity assessment. Through experiments, we demonstrate that our proposed metric correlates more strongly with the desired adaptiveness property compared to existing ones. Furthermore, motivated by our findings, we propose a new adaptive prediction set algorithm that groups examples by estimated difficulty and applies group-conditional conformal prediction. This allows us to determine appropriate thresholds for each group. Experimental results on both (a) an Image Classification (ImageNet) (b) a medical task (visual acuity prediction) show that our method outperforms existing approaches according to the new metrics.
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Mosaic Pruning: A Hierarchical Framework for Generalizable Pruning of Mixture-of-Experts Models
PDF ↗Sparse Mixture-of-Experts (SMoE) architectures have enabled a new frontier in scaling Large Language Models (LLMs), offering superior performance by activating only a fraction of their total parameters during inference. However, their practical deployment is severely hampered by substantial static memory overhead, as all experts must be loaded into memory. Existing post-training pruning methods, while reducing model size, often derive their pruning criteria from a single, general-purpose corpus. This leads to a critical limitation: a catastrophic performance degradation when the pruned model is applied to other domains, necessitating a costly re-pruning for each new domain. To address this generalization gap, we introduce Mosaic Pruning (MoP). The core idea of MoP is to construct a functionally comprehensive set of experts through a structured ``cluster-then-select" process. This process leverages a similarity metric that captures expert performance across different task domains to functionally cluster the experts, and subsequently selects the most representative expert from each cluster based on our proposed Activation Variability Score. Unlike methods that optimize for a single corpus, our proposed Mosaic Pruning ensures that the pruned model retains a functionally complementary set of experts, much like the tiles of a mosaic that together form a complete picture of the original model's capabilities, enabling it to handle diverse downstream tasks.Extensive experiments on various MoE models demonstrate the superiority of our approach. MoP significantly outperforms prior work, achieving a 7.24\% gain on general tasks and 8.92\% on specialized tasks like math reasoning and code generation.
Reliability-Guaranteed and Reward-Seeking Sequence Modeling for Model-Based Offline Reinforcement Learning
PDF ↗As a data-driven learning approach, model-based offline reinforcement learning (MORL) aims to learn a policy by exploiting a dynamics model derived from an existing dataset. Applying conservative quantification to the dynamics model, most existing works on MORL generate trajectories that approximate the real data distribution to facilitate policy learning. However, these methods typically overlook the influence of historical information on environmental dynamics, thus generating unreliable trajectories that fail to align with the true data distribution. In this paper, we propose a new MORL algorithm called Reliability-guaranteed and Reward-seeking Transformer (RT). RT can avoid generating unreliable trajectories through the calculation of cumulative reliability of the trajectories, which is a weighted variational distance between the generated trajectory distribution and the true data distribution. Moreover, by sampling candidate actions with high rewards, RT can efficiently generate high-reward trajectories from the existing offline data, thereby further facilitating policy learning. We theoretically prove the performance guarantees of RT in policy learning, and empirically demonstrate its effectiveness against state-of-the-art model-based methods on several offline benchmark tasks and a large-scale industrial dataset from an on-demand food delivery platform.
Harnessing Textual Semantic Priors for Knowledge Transfer and Refinement in CLIP-Driven Continual Learning
PDF ↗Continual learning (CL) aims to equip models with the ability to learn from a stream of tasks without forgetting previous knowledge. With the progress of vision-language models like Contrastive Language-Image Pre-training (CLIP), their promise for CL has attracted increasing attention due to their strong generalizability. However, the potential of rich textual semantic priors in CLIP in addressing the stability–plasticity dilemma remains underexplored. During backbone training, most approaches transfer past knowledge without considering semantic relevance, leading to interference from unrelated tasks that disrupt the balance between stability and plasticity. Besides, while text-based classifiers provide strong generalization, they suffer from limited plasticity due to the inherent modality gap in CLIP. Visual classifiers help bridge this gap, but their prototypes lack rich and precise semantics. To address these challenges, we propose Semantic-Enriched Continual Adaptation (SECA), a unified framework that harnesses the anti-forgetting and structured nature of textual priors to guide semantic-aware knowledge transfer in the backbone and reinforce the semantic structure of the visual classifier. Specifically, a Semantic-Guided Adaptive Knowledge Transfer (SG-AKT) module is proposed to assess new images' relevance to diverse historical visual knowledge via textual cues, and aggregate relevant knowledge in an instance-adaptive manner as distillation signals. Moreover, a Semantic-Enhanced Visual Prototype Refinement (SE-VPR) module is introduced to refine visual prototypes using inter-class semantic relations captured in class-wise textual embeddings. Extensive experiments on multiple benchmarks validate the effectiveness of our approach.
Specializing Large Language Models for educational domains is a key frontier in creating personalized learning tools. The central challenge is not data scarcity but its abundance: efficiently selecting a curated data subset from vast corpora to enhance specialized skills and foster generalization, without degrading existing abilities. Existing data selection paradigms, relying on superficial semantic similarity or model training dynamics, often lack a principled framework to identify data that promotes true cognitive growth. Our work proposes a paradigm shift from leveraging indirect proxies of learning value, such as semantic similarity and training dynamics, towards a framework that performs a direct, cognitive-level modeling of the learner's state. We introduce CASS, a novel framework that implements this cognitive approach through a clear pipeline, moving from an initial Diagnosis to the ultimate goal of expanding the model's cognitive frontier. First, CASS diagnoses the LLM's cognitive frontier using Multidimensional Item Response Theory. Leveraging this diagnosis, it then employs Fisher Information to select a data subset situated at LLM's cognitive frontier that offers maximum informational gain. Finally, the model is fine-tuned on this curated data using a structured, easy-to-hard curriculum to ensure effective learning. Experiments on our new multi-subject dataset show that models trained with CASS not only achieve superior accuracy in the target domain but also exhibit enhanced generalization. CASS provides a more efficient, effective, and theoretically-grounded paradigm for building expert educational LLMs.
Behaviour Policy Optimization: Provably Lower Variance Return Estimates for Off-Policy Reinforcement Learning
PDF ↗Many reinforcement learning algorithms, particularly those that rely on return estimates for policy improvement, can suffer from poor sample efficiency and training instability due to high-variance return estimates. In this paper we leverage new results from off-policy evaluation; it has recently been shown that well-designed behaviour policies can be used to collect off-policy data for provably lower variance return estimates. This result is surprising as it means collecting data on-policy is not variance optimal. We extend this key insight to the online reinforcement learning setting, where both policy evaluation and improvement are interleaved to learn optimal policies. Off-policy RL has been well studied (e.g., IMPALA), with correct and truncated importance weighted samples for de-biasing and managing variance appropriately. Generally these approaches are concerned with reconciling data collected from multiple workers in parallel, while the policy is updated asynchronously, mismatch between the workers and policy is corrected in a mathematically sound way. Here we consider only one worker - the behaviour policy, which is used to collect data for policy improvement, with provably lower variance return estimates. In our experiments we extend two policy-gradient methods with this regime, demonstrating better sample efficiency and performance over a diverse set of environments.
Talon: Breaking the Synchronization Barrier in Speculative Decoding with Hybrid Model-based and Retrieve-based Drafting
PDF ↗Large Language Models face fundamental deployment challenges due to the computational demands of auto-regressive token-by-token generation. While speculative decoding has emerged as a promising acceleration technique through its draft-then-verify framework, current implementations suffer from two critical limitations: (1) mutual waiting problem caused by sequential dependencies between draft generation and verification phases, and (2) constrained token acceptance rates where retrieval-based drafting methods under-perform in general domains while models-based drafting approaches show reduced efficacy in knowledge-intensive scenarios. To address these challenges, we propose Talon, a novel parallel inference architecture featuring two key innovations: (1) **a novel asynchronous execution paradigm** that decouples draft generation from verification, effectively eliminating synchronization bottlenecks, and (2) **an adaptive hybrid drafting strategy** that dynamically combines model-based and retrieval-based approaches to improve token acceptance rates across diverse domains. Extensive evaluations across standard benchmarks (MT-Bench, HumanEval, GSM8K, Alpaca, CNN/DM) demonstrate Talon's exceptional performance, achieving 4.04x–6.52x acceleration across multiple model families including Vicuna, Deepseek, and LLaMA series. These results represent a significant advancement over existing speculative decoding methods (EAGLE 1-3, Hydra, Medusa, Lookahead, SPS, and PLD), establishing a new paradigm for speculative decoding.
In supervised learning with distributional inputs in the two-stage sampling setup, relevant to applications like learning-based medical screening or causal learning, the inputs (which are probability distributions) are not accessible in the learning phase, but only samples thereof. This problem is particularly amenable to kernel-based learning methods, where the distributions or samples are first embedded into a Hilbert space, often using kernel mean embeddings (KMEs), and then a standard kernel method like Support Vector Machines (SVMs) is applied, using a kernel defined on the embedding Hilbert space. In this work, we contribute to the theoretical analysis of this latter approach, with a particular focus on classification with distributional inputs using SVMs. We establish a new oracle inequality and derive consistency and learning rate results. Furthermore, for SVMs using the hinge loss and Gaussian kernels, we formulate a novel variant of an established noise assumption from the binary classification literature, under which we can establish learning rates. Finally, some of our technical tools like a new feature space for Gaussian kernels on Hilbert spaces are of independent interest.
Test-time adaptation (TTA) has proven effective in mitigating performance drops under single-domain distribution shifts by updating model parameters during inference. However, real-world deployments often involve mixed distribution shifts---where test samples are affected by diverse and potentially conflicting domain factors---posing significant challenges even for state-of-the-art TTA methods. A key limitation in existing approaches is their reliance on a unified adaptation path, which fails to account for the fact that optimal gradient directions can vary significantly across different domains. Moreover, current benchmarks focus only on synthetic or homogeneous shifts, failing to capture the complexity of real-world heterogeneous mixed distribution shifts. To address this, we propose MoETTA, a novel entropy-based TTA framework that integrates the Mixture-of-Experts (MoE) architecture. Rather than enforcing a single parameter update rule for all test samples, MoETTA introduces a set of structurally decoupled experts, enabling specialization along diverse gradient directions. This design allows the model to better accommodate heterogeneous shifts through flexible and disentangled parameter updates. To simulate realistic deployment conditions, we introduce two new benchmarks: potpourri and potpourri+. While classical settings focus solely on synthetic corruptions (i.e., ImageNet-C), potpourri encompasses a broader range of domain shifts—including natural, artistic, and adversarial distortions—capturing more realistic deployment challenges. On top of that, potpourri+ further includes source-domain samples to evaluate robustness against catastrophic forgetting. Extensive experiments across three mixed distribution shifts settings show that MoETTA consistently outperforms strong baselines, establishing new state-of-the-art performance and highlighting the benefit of modeling multiple adaptation directions via expert-level diversity.
Due to the continuous increase of multimedia data on the internet, online hashing has garnered considerable attention for handling multi-modal data streams. However, most existing online hashing approaches focus solely on data growth of samples, overlooking the dynamics of classes. In this paper, we simultaneously address the challenges of both sample-level and class-level growth, and propose a novel Online Hashing method with Expanding Label Space (OH-ELS) for cross-modal retrieval. In OH-ELS, multi-modal data arrives continuously, and incoming data may introduce new classes. To avoid catastrophic forgetting, we transfer the historical knowledge at both the sample and class levels. At the sample-level, a small subset of anchor codes from old data are replayed to preserve the similarities between new data and old data. At the class-level, a consistency regularizer is applied to new classifiers to leverage the priors of historical classes. To ensure both efficiency and accuracy, a discrete optimization algorithm is proposed to solve the binary-constrained optimization problem without relaxation. Experimental results illustrate the effectiveness and superiority of OH-ELS in class-incremental cross-modal retrieval compared with the state-of-the-art methods.
Time series generation is essential for advancing data-driven modeling and decision-making across a wide range of domains. However, existing approaches primarily focus on global patterns, often failing to capture local key patterns such as abrupt changes or anomalies. These key patterns are crucial for interpretability and operational decision making, as they frequently represent intervention points with significant real-world impact. To bridge this gap, we propose Key Prototypes-Guided Diffusion (K-ProtoDiff) for time series generation , a new model that learns the global data distribution while preserving localized key patterns critical for temporal dynamics. In K-ProtoDiff, we first derive time series prototype representations through adaptive self-supervised learning. Then, a key prototype assignment module is used to extract prototype weights, forming key prototype-aware representations that serve as conditional guidance for generation. During sampling, to further enhance the fidelity of key patterns during the denoising process, we propose Reflection Sampling (R-Sampling), a step-wise refinement strategy that encourages the reverse trajectory to better align with key prototype constraints. Experiments on nine real-world datasets demonstrate that K-ProtoDiff significantly outperforms state-of-the-art baselines in key pattern retention, achieving an average 77.6% improvement in key pattern preservation.
Closer to Biological Mechanism: Drug-Drug Interaction Prediction from the Perspective of Pharmacophore
PDF ↗Drug combinations are widely used in modern medicine but may cause severe adverse drug reactions. Therefore, making effective drug-drug interactions (DDI) prediction is crucial for pharmacovigilance. Existing DDI prediction models are typically built from a structural perspective, assuming that drugs with similar molecular structures may exhibit similar interactions. However, such approaches overlook the biological mechanisms underlying DDI in the human body. This not only weakens the generalization ability of the model, but also makes its interpretability less convincing. Inspired by this, we propose a new method called PC-DDI. Unlike structure-based models, PC-DDI utilizes pharmacophores as basic unit, and designs a complete pharmacophore feature processing framework. It further constructs a pharmacophore-based bipartite graph to model interactions between pharmacophores. This approach allows us to explore the underlying mechanisms of DDI from a functional perspective. We also design a spatial attention weight graph convolution module to optimize the message passing process by integrating pharmacophore position features with node features. Furthermore, we apply causal inference to identify key pharmacophores in pharmacophore bipartite graph, enhancing the interpretability. Compared with the SOTA, PC-DDI achieves an accuracy improvement of 1.84% under the transductive setting and consistently outperforms others in all other experiments.
Prefix adders are widely used in compute-intensive applications for their high speed. However, designing optimized prefix adders is challenging due to strict design rules and an exponentially large design space. We introduce PrefixGPT, a generative pre-trained Transformer (GPT) that directly generates optimized prefix adders from scratch. Our approach represents an adder's topology as a two-dimensional coordinate sequence and applies a legality mask during generation, ensuring every design is valid by construction. PrefixGPT features a customized decoder-only Transformer architecture. The model is first pre-trained on a corpus of randomly synthesized valid prefix adders to learn design rules and then fine-tuned to navigate the design space for optimized design quality. Compared with existing works, PrefixGPT not only finds a new optimal design with a 7.7% improved area-delay product (ADP) but exhibits superior exploration quality, lowering the average ADP by up to 79.1%. This demonstrates the potential of GPT-style models to first master complex hardware design principles and then apply them for more efficient design optimization.
Continual learning constrains models to learn new tasks over time without forgetting what they have already learned. A key challenge in this setting is catastrophic forgetting, where learning new information causes the model to lose its performance on previous tasks. Recently, explainable AI has been proposed as a promising way to better understand and reduce forgetting. In particular, self-explainable models are useful because they generate explanations during prediction, which can help preserve knowledge. However, most existing explainable approaches use post-hoc explanations or require additional memory for each new task, resulting in limited scalability. In this work, we introduce CIP-Net, an exemplar-free self-explainable prototype-based model designed for continual learning. CIP-Net avoids storing past examples and maintains a simple architecture, while still providing useful explanations and strong performance. We demonstrate that CIP-Net achieves state-of-the-art performances compared to previous exemplar-free and self-explainable methods in both task- and class-incremental settings, while bearing significantly lower memory-related overhead. This makes it a practical and interpretable solution for continual learning.
Are Graph Transformers Necessary? Efficient Long-Range Message Passing with Fractal Nodes in MPNNs
PDF ↗Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions, they often overlook the inherent locality and efficiency of Message Passing Neural Networks (MPNNs). We propose a new concept called 'fractal nodes', inspired by the fractal structure observed in real-world networks. Our approach is based on the intuition that graph partitioning naturally induces fractal structure, where subgraphs often reflect the connectivity patterns of the full graph. Fractal nodes are designed to coexist with the original nodes and adaptively aggregate subgraph-level feature representations, thereby enforcing feature similarity within each subgraph. We show that fractal nodes alleviate the over-squashing problem by providing direct shortcut connections that enable long-range propagation of subgraph-level representations. Experiment results show that our method improves the expressive power of MPNNs and achieves comparable or better performance to graph Transformers while maintaining the computational efficiency of MPNN by improving the long-range dependencies of MPNN.
We study active mitigation of selection bias in statistical learning. That is sequential maximization over a set A of the expectation of a reward function R(a,X) w.r.t. a r.v. X drawn from a target distribution PT possibly different from the (supposedly dominating) source distribution PS under which rewards are observed. The importance function dPT/dPS (x) with which the sequentially observed biased rewards should be ideally weighted being unknown in practice, auxiliary information is assumed to be available in the form of known moments of the target distribution PT for debiasing purposes. In the batch setting, this problem has already been studied and can be solved under certain conditions in two successive steps: 1) identify a weight function so as to approximate the moments 2) maximize the resulting (empirical version of the) weighted reward. In the active setting, if the problem boils down to identifying the best arm in a stochastic multi armed bandit (MAB) model, the presence of selection bias strongly affects the complexity of the sequential optimization problem and requires the development of a new algorithmic approach, as we show here. In a fixed confidence setting, we introduce a novel notion of complexity, which accounts for the balance between arm evaluation and (parametric) weight function estimation, establish lower bounds and propose an algorithm proved to be near optimal. Theoretical guarantees are backed up by numerical results.
The goal of this work is to adapt Segment Anything Models (SAM) into crack segmentation tasks via automatic label generation, thus eliminating manual annotation cost. In this regard, an intuitive approach is to extract edges of crack samples and generate labels via the dilation and erosion processes for fine-tuning SAM. However, this simple solution cannot guarantee the quality of generated labels, as crack regions will be corrupted due to the imperfect edge detection. To this end, this paper proposes CoGenSAM, a novel Codebook-interactive Generative Labeling framework that enables an annotation-free SAM fine-tuning. To achieve this, in the first stage, we pre-train a vector-quantized variational auto-encoder (VQVAE) by reconstructing the synthesized crack-like structures for learning crack-aware priors within the codebook. In the second stage, these priors help another VQVAE serve as the restoration model to restore the randomly corrupted structures into uncorrupted ones. Specifically, we propose the crack-aware contrastive-interaction to maximize the mutual information with the above priors via codebook interaction. Then, high-quality labels can be generated by restoring corrupted labels from edge detection, contributing to an annotation-free SAM fine-tuning. We collect a new dataset, Bridge2025, to address the limited availability of related bridge-oriented benchmarks. Experiments show that our performance is close to fully-supervised methods.
LoRA in LoRA: Towards Parameter-Efficient Architecture Expansion for Continual Visual Instruction Tuning
PDF ↗Continual Visual Instruction Tuning (CVIT) enables Multimodal Large Language Models (MLLMs) to incrementally learn new tasks over time. However, this process is challenged by catastrophic forgetting, where performance on previously learned tasks deteriorates as the model adapts to new ones. A common approach to mitigate forgetting is architecture expansion, which introduces task-specific modules to prevent interference. Yet, existing methods often expand entire layers for each task, leading to significant parameter overhead and poor scalability. To overcome these issues, we introduce LoRA in LoRA (LiLoRA), a highly efficient architecture expansion method tailored for CVIT in MLLMs. LiLoRA shares the LoRA matrix A across tasks to reduce redundancy, applies an additional low-rank decomposition to matrix B to minimize task-specific parameters, and incorporates a cosine-regularized stability loss to preserve consistency in shared representations over time. Extensive experiments on a diverse CVIT benchmark show that LiLoRA consistently achieves superior performance in sequential task learning while significantly improving parameter efficiency compared to existing approaches.
Out-of-distribution (OOD) detection plays a critical role in ensuring the robustness of machine learning models in open-world settings. While extensive efforts have been made in vision, language, and graph domains, the challenge of OOD detection in hypergraph-structured data remains unexplored. In this work, we formalize the problem of hypergraph out-of-distribution (HOOD) detection, which aims to identify nodes or hyperedges whose high-order relational contexts differ significantly from those seen during training. We propose HyperGOOD, a unified energy-based detection framework that integrates multi-scale spectral decomposition with structure-aware uncertainty propagation. By preserving both low- and high-frequency signals and diffusing uncertainty across the hypergraph, HyperGOOD effectively captures subtle and relationally entangled anomalies. Experimental results on nine hypergraph datasets demonstrate the effectiveness of our approach, establishing a new foundation for robust hypergraph learning under distributional shifts.
Inductive Logic Programming (ILP) approaches like Meta-Interpretive Learning (MIL) can learn, from few examples, recursive logic programs with invented predicates that generalise well to unseen instances. This ability relies on a background theory and negative examples, both carefully selected with expert knowledge of a learning problem and its solutions. But what if such a problem-specific background theory or negative examples are not available? We formalise this question as a new setting for Self-Supervised ILP and present a new MIL algorithm that learns in the new setting from some positive labelled, and zero or more unlabelled examples, and automatically generates, and labels, new positive and negative examples during learning. We implement this algorithm in Prolog in a new MIL system, called Poker. We compare Poker to state-of-the-art MIL system Louise on experiments learning grammars for Context-Free and L-System languages from labelled, positive example strings, no negative examples, and just the terminal vocabulary of a language, seen in examples, as a first-order background theory. We introduce a new approach for the principled selection of a second-order background theory as a Second Order Definite Normal Form (SONF), sufficiently general to learn all programs in a class, thus removing the need for a backgound theory tailored to a learning task. We find that Poker's performance improves with increasing numbers of automatically generated examples while Louise, bereft of negative examples, over-generalises.