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 Deep Learning


GOOD: Training-Free Guided Diffusion Sampling for Out-of-Distribution Detection

Neural Information Processing Systems

Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing textconditioned embeddings, resulting in semantic instability and insufficient shift diversity, which limit generalization to realistic OOD. To address these challenges, we propose GOOD, a novel and flexible framework that directly guides diffusion sampling trajectories towards OOD regions using off-the-shelf in-distribution (ID) classifiers. GOOD incorporates dual-level guidance: (1) Image-level guidance based on the gradient of log partition to reduce input likelihood, drives samples toward low-density regions in pixel space.


Hard Math Hard Code 2 Related Work

Neural Information Processing Systems

Large language models (LLMs) have demonstrated remarkable reasoning capabilities in math and coding, often bolstered by post-training on the chain-of-thoughts (CoTs) generated by stronger models. However, existing strategies for curating such training data predominantly rely on heuristics, limiting generalizability and failing to capture subtleties underlying in data. To address these limitations, we leverage influence functions to systematically attribute LLMs' reasoning ability on math and coding to individual training examples, sequences, and tokens, enabling deeper insights into effective data characteristics. Our Influence-based Reasoning Attribution (Infra) uncovers nontrivial cross-domain effects across math and coding tasks: high-difficulty math examples improve both math and code reasoning, while low-difficulty code tasks most effectively benefit code reasoning. Based on these findings, we introduce a simple yet effective dataset reweighting strategy by flipping task difficulty, which doubles AIME24 accuracy from 10% to 20% and boosts LiveCodeBench accuracy from 33.8% to 35.3% for Qwen2.5-7B-Instruct. Moreover, our fine-grained attribution reveals that the sequence-level exploratory behaviors enhance reasoning performance in both math and code, and the tokenlevel influence patterns are distinct for math and code reasoning: the former prefers natural language logic connectors and the latter emphasizes structural syntax.


Vision-and-Language Training Helps Deploy Taxonomic Knowledge but Does Not Fundamentally Alter It

Neural Information Processing Systems

Does vision-and-language (VL) training change the linguistic representations of language models in meaningful ways? Most results in the literature have shown inconsistent or marginal differences, both behaviorally and representationally. In this work, we start from the hypothesis that the domain in which VL training could have a significant effect is lexical-conceptual knowledge, in particular its taxonomic organization. Through comparing minimal pairs of text-only LMs and their VL-trained counterparts, we first show that the VL models often outperform their text-only counterparts on a text-only question-answering task that requires taxonomic understanding of concepts mentioned in the questions. Using an array of targeted behavioral and representational analyses, we show that the LMs and VLMs do not differ significantly in terms of their taxonomic knowledge itself, but they differ in how they represent questions that contain concepts in a taxonomic relation vs. a non-taxonomic relation. This implies that the taxonomic knowledge itself does not change substantially through additional VL training, but VL training does improve the deployment of this knowledge in the context of a specific task, even when the presentation of the task is purely linguistic.


ADynamic Learning Strategy for Dempster-Shafer Theory with Applications in Classification and Enhancement

Neural Information Processing Systems

Effective modelling of uncertain information is crucial for quantifying uncertainty. Dempster-Shafer evidence (DSE) theory is a widely recognized approach for handling uncertain information. However, current methods often neglect the inherent a priori information within data during modelling, and imbalanced data lead to insufficient attention to key information in the model. To address these limitations, this paper presents a dynamic learning strategy based on nonuniform splitting mechanism and Hilbert space mapping. First, the framework uses a nonuniform splitting mechanism to dynamically adjust the weights of data subsets and combines the diffusion factor to effectively incorporate the data a priori information, thereby flexibly addressing uncertainty and conflict. Second, the conflict in the information fusion process is reduced by Hilbert space mapping. Experimental results on multiple tasks show that the proposed method significantly outperforms state-of-the-art methods and effectively improves the performance of classification and low-light image enhancement (LLIE) tasks. The code is available at https://anonymous.4open.science/r/Third-ED16.


Feature Unlearning: Theoretical Foundations and Practical Applications with Shuffling

Neural Information Processing Systems

Machine unlearning has become a focal point in recent research, yet the specific area of feature unlearning has not been thoroughly explored. Feature unlearning involves eliminating specific features' effects from an already trained model, presenting distinct challenges that are not yet comprehensively addressed. This paper presents a novel and straightforward approach to feature unlearning that employs a tactical shuffling of the features designated for removal. By redistributing the values of the features targeted for unlearning throughout the original training dataset and subsequently fine-tuning the model with this shuffled data, our proposed method provides a theoretical guarantee for effective feature unlearning. Under mild assumptions, our method can effectively disrupt the established correlations between unlearned features and the label, while preserving the relationships between the remaining features and the label. Across both tabular and image datasets, our empirical results show that our method not only effectively and efficiently removes the influence of designated features but also preserves the information content of the remaining features.


APhysics-preserved Transfer Learning Method for Differential Equations

Neural Information Processing Systems

While data-driven methods such as neural operator have achieved great success in solving differential equations (DEs), they suffer from domain shift problems caused by different learning environments (with data bias or equation changes), which can be alleviated by transfer learning (TL). However, existing TL methods adopted in DEs problems lack either generalizability in general DEs problems or physics preservation during training. In this work, we focus on a general transfer learning method that adaptively correct the domain shift and preserve physical relation within the equation. Mathematically, we characterize the data domain as product distribution and the essential problems as distribution bias and operator bias. APhysics-preserved Optimal Tensor Transport (POTT) method that simultaneously admits generalizability to common DEs and physics preservation of specific problem is proposed to adapt the data-driven model to target domain, utilizing the pushforward distribution induced by the POTT map. Extensive experiments in simulation and real-world datasets demonstrate the superior performance, generalizability and physics preservation of the proposed POTT method.


Let Brain Rhythm Shape Machine Intelligence for Connecting Dots on Graphs

Neural Information Processing Systems

In both neuroscience and artificial intelligence (AI), it is well-established that neural "coupling" gives rise to dynamically distributed systems. These systems exhibit selforganized spatiotemporal patterns of synchronized neural oscillations, enabling the representation of abstract concepts. By capitalizing on the unprecedented amount of human neuroimaging data, we propose that advancing the theoretical understanding of rhythmic coordination in neural circuits can offer powerful design principles for the next generation of machine learning models with improved efficiency and robustness. To this end, we introduce a physics-informed deep learning framework for Brain Rhythm Identification by Kuramoto and Control (coined BRICK) to characterize the synchronization of neural oscillations that shapes the dynamics of evolving cognitive states. Recognizing that brain networks are structurally connected yet behaviorally dynamic, we further conceptualize rhythmic neural activity as an artificial dynamical system of coupled oscillators, offering a shared mechanistic bridge to brain-inspired machine intelligence. By treating each node as an oscillator interacting with its neighbors, this approach moves beyond the conventional paradigm of graph heat diffusion and establishes a new regime of representation compression through oscillatory synchronization. Empirical evaluations demonstrate that this synchronization-driven mechanism not only mitigates over-smoothing in deep GNNs but also enhances the model's capacity for reasoning and solving complex graph-based problems.


From Replication to Redesign: Exploring Pairwise Comparisons for LLM-Based Peer Review

Neural Information Processing Systems

The advent of large language models (LLMs) offers unprecedented opportunities to reimagine peer review beyond the constraints of traditional workflows. Despite these opportunities, prior efforts have largely focused on replicating traditional review workflows with LLMs serving as direct substitutes for human reviewers, while limited attention has been given to exploring new paradigms that fundamentally rethink how LLMs can participate in the academic review process. In this paper, we introduce and explore a novel mechanism that employs LLM agents to perform pairwise comparisons among manuscripts instead of individual scoring. By aggregating outcomes from substantial pairwise evaluations, this approach enables a more accurate and robust measure of relative manuscript quality. Our experiments demonstrate that this comparative approach significantly outperforms traditional rating-based methods in identifying high-impact papers. However, our analysis also reveals emergent biases in the selection process, notably a reduced novelty in research topics and an increased institutional imbalance. These findings highlight both the transformative potential of rethinking peer review with LLMs and critical challenges that future systems must address to ensure equity and diversity.


GAMMA: Gated Multi-hop Message Passing for Homophily-Agnostic Node Representation in GNNs

Neural Information Processing Systems

The success of Graph Neural Networks (GNNs) leverages the homophily principle, where connected nodes share similar features and labels. However, this assumption breaks down in heterophilic graphs, where same-class nodes are often distributed across distant neighborhoods rather than immediate connections. Recent attempts expand the receptive field through multi-hop aggregation schemes that explicitly preserve intermediate representations from each hop distance. While effective at capturing heterophilic patterns, these methods require separate weight matrices per hop and feature concatenation, causing parameters to scale linearly with hop count. This leads to high computational complexity and GPU memory consumption. We propose Gated Multi-hop Message Passing (GAMMA), where nodes assess how relevant the aggregated information is from their k-hop neighbors. This assessment occurs through multiple refinement steps where the node compares each hop's embedding with its current representation, allowing it to focus on the most informative hops. During the forward pass, GAMMA finds the optimal mix of multi-hop information local to each node using a single feature vector without needing separate representations for each hop, thereby maintaining dimensionality comparable to single hop GNNs. In addition, we propose a weight sharing scheme that leverages a unified transformation for aggregated features from multiple hops so the global heterophilic patterns specific to each hop are learned during training.


Projecting Assumptions: The Duality Between Sparse Autoencoders and Concept Geometry

Neural Information Processing Systems

Sparse Autoencoders (SAEs) are widely used to interpret neural networks by identifying meaningful concepts from their representations. However, do SAEs truly uncover all concepts a model relies on, or are they inherently biased toward certain kinds of concepts? We introduce a unified framework that recasts SAEs as solutions to a bilevel optimization problem, revealing a fundamental challenge: each SAE imposes structural assumptions about how concepts are encoded in model representations, which in turn shapes what it can and cannot detect. This means different SAEs are not interchangeable--switching architectures can expose entirely new concepts or obscure existing ones. To systematically probe this effect, we evaluate SAEs across a spectrum of settings: from controlled toy models that isolate key variables, to semi-synthetic experiments on real model activations and finally to large-scale, naturalistic datasets. Across this progression, we examine two fundamental properties that real-world concepts often exhibit: heterogeneity in intrinsic dimensionality (some concepts are inherently low-dimensional, others are not) and nonlinear separability. We show that SAEs fail to recover concepts when these properties are ignored, and we design a new SAE that explicitly incorporates both, enabling the discovery of previously hidden concepts and reinforcing our theoretical insights. Our findings challenge the idea of a universal SAE and underscores the need for architecture-specific choices in model interpretability.