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 Deep Learning


LLMs Encode Harmfulness and Refusal Separately

Neural Information Processing Systems

LLMs are trained to refuse harmful instructions, but do they truly understand harmfulness beyond just refusing? Prior work has shown that LLMs' refusal behaviors can be mediated by a one-dimensional subspace, i.e., a refusal direction. In this work, we identify a new dimension to analyze safety mechanisms in LLMs, i.e., harmfulness, which is encoded internally as a separate concept from refusal. And there exists a harmfulness direction that is distinct from the refusal direction. As causal evidence, steering along the harmfulness direction can lead LLMs to interpret harmless instructions as harmful, but steering along the refusal direction tends to elicit refusal responses directly without reversing the model's judgment on harmfulness. Furthermore, using our identified harmfulness concept, we find that certain jailbreak methods work by reducing the refusal signals without suppressing the model's internal belief of harmfulness.


ResearchCodeBench: Benchmarking LLMs on Implementing Novel Machine Learning Research Code

Neural Information Processing Systems

Large language models (LLMs) have shown promise in transforming machine learning research, yet their capability to faithfully implement novel ideas from recent research papers--ideas unseen during pretraining--remains unclear. We introduce ResearchCodeBench, a benchmark of 212 coding challenges that evaluates LLMs' ability to translate cutting-edge ML contributions from top 2024-2025 research papers into executable code. We assessed 32 proprietary and open-source LLMs on both the full benchmark and ResearchCodeBench-HARD, a subset of 109 particularly challenging tasks.


Dense SAELatents Are Features, Not Bugs

Neural Information Processing Systems

Sparse autoencoders (SAEs) are designed to extract interpretable features from language models by enforcing a sparsity constraint. Ideally, training an SAE would yield latents that are both sparse and semantically meaningful. However, many SAE latents activate frequently (i.e., are dense), raising concerns that they may be undesirable artifacts of the training procedure. In this work, we systematically investigate the geometry, function, and origin of dense latents and show that they are not only persistent but often reflect meaningful model representations. We first demonstrate that dense latents tend to form antipodal pairs that reconstruct specific directions in the residual stream, and that ablating their subspace suppresses the emergence of new dense features in retrained SAEs--suggesting that high density features are an intrinsic property of the residual space. We then introduce a taxonomy of dense latents, identifying classes tied to position tracking, context binding, entropy regulation, letter-specific output signals, part-of-speech, and principal component reconstruction. Finally, we analyze how these features evolve across layers, revealing a shift from structural features in early layers, to semantic features in mid layers, and finally to output-oriented signals in the last layers of the model. Our findings indicate that dense latents serve functional roles in language model computation and should not be dismissed as training noise.


Increasing the Utility of Synthetic Images through Chamfer Guidance

Neural Information Processing Systems

Conditional image generative models hold considerable promise to produce infinite amounts of synthetic training data. Yet, recent progress in generation quality has come at the expense of generation diversity, limiting the utility of these models as a source of synthetic training data. Although guidance-based approaches have been introduced to improve the utility of generated data by focusing on quality or diversity, the (implicit or explicit) utility functions oftentimes disregard the potential distribution shift between synthetic and real data. In this work, we introduce Chamfer Guidance: a training-free guidance approach which leverages a handful of real exemplar images to characterize the quality and diversity of synthetic data. We show that by leveraging the proposed Chamfer Guidance, we can boost the diversity of the generations w.r.t. a dataset of real images while maintaining or improving the generation quality on ImageNet-1k and standard geo-diversity benchmarks. Our approach achieves state-of-the-art few-shot performance with as little as 2 exemplar real images, obtaining 96.4% in terms of precision, and 86.4% in terms of distributional coverage, which increase to 97.5% and 92.7%, respectively, when using 32 real images.


LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities

Neural Information Processing Systems

Generative models are spearheading recent progress in deep learning, showcasing strong promise for trajectory sampling in dynamical systems as well. However, whereas latent space modeling paradigms have transformed image and video generation, similar approaches are more difficult for most dynamical systems. Such systems - from chemical molecule structures to collective human behavior - are described by interactions of entities, making them inherently linked to connectivity patterns, entity conservation, and the traceability of entities over time. Our approach, LAM-SLIDE (Latent Space Modeling of Spatial Dynamical Systems via Linked Entities), bridges the gap between: (1) keeping the traceability of individual entities in a latent system representation, and (2) leveraging the efficiency and scalability of recent advances in image and video generation, where pre-trained encoder and decoder enable generative modeling directly in latent space. The core idea of LAM-SLIDE is the introduction of identifier representations (IDs) that enable the retrieval of entity properties and entity composition from latent system representations, thus fostering traceability. Experimentally, across different domains, we show that LAM-SLIDE performs favorably in terms of speed, accuracy, and generalizability.


Our graph image features estrain Test distribution Gap Training distribution Invariant, Non-intuitiveness normalization Online Reference-joint difference vectors

Neural Information Processing Systems

Skeleton-based hand gesture recognition plays a crucial role in enabling intuitive human-computer interaction. Traditional methods have primarily relied on hand-crafted features--such as distances between joints or positional changes across frames--to alleviate issues from viewpoint variation or body proportion differences. However, these hand-crafted features often fail to capture the full spatio-temporal information in raw skeleton data, exhibit poor interpretability, and depend heavily on dataset-specific preprocessing, limiting generalization. In addition, normalization strategies in traditional methods, which rely on training data, can introduce domain gaps between training and testing environments, further hindering robustness in diverse real-world settings. To overcome these challenges, we exclude traditional hand-crafted features and propose Skeleton Kinematics Extraction Through Coordinated grapH (SKETCH), a novel framework that directly utilizes raw four-dimensional (time, x, y, and z) skeleton sequences and transforms them into intuitive visual graph representations.


Recurrent Self-Attention Dynamics: An Energy-Agnostic Perspective from Jacobians

Neural Information Processing Systems

The theoretical understanding of self-attention (SA) has been steadily progressing. A prominent line of work studies a class of SA layers that admit an energy function decreased by state updates. While it provides valuable insights into inherent biases in signal propagation, it often relies on idealized assumptions or additional constraints not necessarily present in standard SA. Thus, to broaden our understanding, this work aims to relax these energy constraints and provide an energy-agnostic characterization of inference dynamics by dynamical systems analysis. In more detail, we first consider relaxing the symmetry and single-head constraints traditionally required in energy-based formulations. Next, we show that analyzing the Jacobian matrix of the state is highly valuable when investigating more general SA architectures without necessarily admitting an energy function. It reveals that the normalization layer plays an essential role in suppressing the Lipschitzness of SA and the Jacobian's complex eigenvalues, which correspond to the oscillatory components of the dynamics. In addition, the Lyapunov exponents computed from the Jacobians demonstrate that the normalized dynamics lie close to a critical state, and this criticality serves as a strong indicator of high inference performance. Furthermore, the Jacobian perspective also enables us to develop regularization methods for training and a pseudo-energy for monitoring inference dynamics.


SHF: Symmetrical Hierarchical Forest with Pretrained Vision Transformer Encoder for High-Resolution Medical Segmentation

Neural Information Processing Systems

This paper presents a novel approach to addressing the long-sequence problem in high-resolution medical images for Vision Transformers (ViTs). Using smaller patches as tokens can enhance ViT performance, but quadratically increases computation and memory requirements. Therefore, the common practice for applying ViTs to high-resolution images is either to: (a) employ complex sub-quadratic attention schemes or (b) use large to medium-sized patches and rely on additional mechanisms within the model to capture the spatial hierarchy of details. We propose Symmetrical Hierarchical Forest (SHF), a lightweight approach that adaptively patches the input image to increase token information density and encode hierarchical spatial structures into the input embedding. We then apply a reverse depatching scheme to the output embeddings of the transformer encoder, eliminating the need for convolution-based decoders. Unlike previous methods that modify attention mechanisms or use a complex hierarchy of interacting models, SHFcan be retrofitted to any ViT model to allow it to learn the hierarchical structure of details in high-resolution images without requiring architectural changes. Experimental results demonstrate significant gains in computational efficiency and performance: on the PAIPWSI dataset, we achieved a 3 32 speedup or a 2.95% 7.03% increase in accuracy (measured by Dice score) at a 64K2 resolution with the same computational budget, compared to state-of-the-art production models. On the 3D medical datasets BTCV and KiTS, training was 6 faster, with accuracy gains of 6.93% and 5.9%, respectively, compared to models without SHF.


TransferBench: Benchmarking Ensemble-based Black-box Transfer Attacks

Neural Information Processing Systems

Ensemble-based black-box transfer attacks optimize adversarial examples on a set of surrogate models, claiming to reach high success rates by querying the (unknown) target model only a few times. In this work, we show that prior evaluations are systematically biased, as such methods are tested only under overly optimistic scenarios, without considering (i) how the choice of surrogate models influences transferability, (ii) how they perform against robust target models, and (iii) whether querying the target to refine the attack is really required. To address these gaps, we introduce TransferBench, a framework for evaluating ensemble-based black-box transfer attacks under more realistic and challenging scenarios than prior work. Our framework considers 17 distinct settings on CIFAR-10 and ImageNet, including diverse surrogate-target combinations, robust targets, and comparisons to baseline methods that do not use any query-based refinement mechanism. Our findings reveal that existing methods fail to generalize to more challenging scenarios, and that query-based refinement offers little to no benefit, contradicting prior claims. These results highlight that building reliable and query-efficient black-box transfer attacks remains an open challenge.


Single-Teacher View Augmentation: Boosting Knowledge Distillation via Angular Diversity

Neural Information Processing Systems

Knowledge Distillation (KD) aims to train a lightweight student model by transferring knowledge from a large, high-capacity teacher. Recent studies have shown that leveraging diverse teacher perspectives can significantly improve distillation performance; however, achieving such diversity typically requires multiple teacher networks, leading to high computational costs. In this work, we propose a novel cost-efficient knowledge augmentation method for KD that generates diverse multiviews by attaching multiple branches to a single teacher. To ensure meaningful semantic variation across multi-views, we introduce two angular diversity objectives: 1) constrained inter-angle diversify loss, which maximizes angles between augmented views while preserving proximity to the original teacher output, and 2) intra-angle diversify loss, which encourages an even distribution of views around the original output. The ensembled knowledge from these angularly diverse views, along with the original teacher, is distilled into the student. We further theoretically demonstrate that our objectives increase the diversity among ensemble members and thereby reduce the upper bound of the ensemble's expected loss, leading to more effective distillation. Experimental results show that our method surpasses an existing knowledge augmentation method across diverse configurations. Moreover, the proposed method is compatible with other KD frameworks in a plug-and-play fashion, providing consistent improvements in generalization performance.