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 Deep Learning



Pause Tokens Strictly Increase the Expressivity of Constant-Depth Transformers

Neural Information Processing Systems

Pause tokens, simple filler symbols such as "...", consistently improve Transformer performance on both language and mathematical tasks, yet their theoretical effect remains unexplained. We provide the first formal separation result, proving that adding pause tokens to constant-depth, logarithmic-width Transformers strictly increases their computational expressivity. With bounded-precision activations, Transformers without pause tokens compute only a strict subset of AC0 functions, while adding a polynomial number of pause tokens allows them to express the entire class. For logarithmic-precision Transformers, we show that adding pause tokens achieves expressivity equivalent to TC0, matching known upper bounds. Empirically, we demonstrate that two-layer causally masked Transformers can learn parity when supplied with pause tokens, a function that they appear unable to learn without them. Our results provide a rigorous theoretical explanation for prior empirical findings, clarify how pause tokens interact with width, depth, and numeric precision, and position them as a distinct mechanism, complementary to chain-of-thought prompting, for enhancing Transformer reasoning.


ARECHO: Autoregressive Evaluation via Chain-Based Hypothesis Optimization for Speech Multi-Metric Estimation

Neural Information Processing Systems

Speech signal analysis poses significant challenges, particularly in tasks such as speech quality evaluation and profiling, where the goal is to predict multiple perceptual and objective metrics. For instance, metrics like PESQ (Perceptual Evaluation of Speech Quality), STOI (Short-Time Objective Intelligibility), and MOS (Mean Opinion Score) each capture different aspects of speech quality. However, these metrics often have different scales, assumptions, and dependencies, making joint estimation non-trivial. To address these issues, we introduce ARECHO (Autoregressive Evaluation via Chain-based Hypothesis Optimization), a chain-based, versatile evaluation system for speech assessment grounded in autoregressive dependency modeling. ARECHO is distinguished by three key innovations: (1) a comprehensive speech information tokenization pipeline; (2) a dynamic classifier chain that explicitly captures inter-metric dependencies; and (3) a two-step confidence-oriented decoding algorithm that enhances inference reliability. Experiments demonstrate that ARECHO significantly outperforms the baseline framework across diverse evaluation scenarios, including enhanced speech analysis, speech generation evaluation, and, noisy speech evaluation. Furthermore, its dynamic dependency modeling improves interpretability by capturing inter-metric relationships. Across tasks, ARECHO offers reference-free evaluation using its dynamic classifier chain to support subset queries (single or multiple metrics) and reduces error propagation via confidence-oriented decoding.


IMPACT: Irregular Multi-Patch Adversarial Composition Based on Two-Phase Optimization

Neural Information Processing Systems

Deep neural networks have become foundational in various applications but remain vulnerable to adversarial patch attacks. Crafting effective adversarial patches is inherently challenging due to the combinatorial complexity involved in jointly optimizing critical factors such as patch shape, location, number, and content. Existing approaches often simplify this optimization by addressing each factor independently, which limits their effectiveness. To tackle this significant challenge, we introduce a novel and flexible adversarial attack framework termed IMPACT (Irregular Multi-Patch Adversarial Composition based on Two-phase optimization). IMPACT uniquely enables comprehensive optimization of all essential patch factors using gradient-free methods. Specifically, we propose a novel dimensionality reduction encoding scheme that substantially lowers computational complexity while preserving expressive power. Leveraging this encoding, we further develop a two-phase optimization framework: phase 1 employs differential evolution for joint optimization of patch mask and content, while phase 2 refines patch content using an evolutionary strategy for enhanced precision. Additionally, we introduce a new aggregation algorithm explicitly designed to produce contiguous, irregular patches by merging localized regions, ensuring physical applicability. Extensive experiments demonstrate that our method significantly outperforms several state-of-the-art approaches, highlighting the critical benefit of jointly optimizing all patch factors in adversarial patch attacks.


Auto-Search and Refinement: An Automated Framework for Gender Bias Mitigation in Large Language Models

Neural Information Processing Systems

Pre-training large language models (LLMs) on vast text corpora enhances natural language processing capabilities but risks encoding social biases, particularly gender bias. While parameter-modification methods like fine-tuning mitigate bias, they are resource-intensive, unsuitable for closed-source models, and lack adaptability to evolving societal norms. Instruction-based approaches offer flexibility but often compromise general performance on normal tasks. To address these limitations, we propose FaIRMaker, an automated and model-independent framework that employs an auto-search and refinement paradigm to adaptively generate Fairwords, which act as instructions to reduce gender bias and enhance response quality. FaIRMaker enhances the debiasing capacity by enlarging the Fairwords search space while preserving the utility and making it applicable to closed-source models by training a sequence-to-sequence model that adaptively refines Fairwords into effective debiasing instructions when facing gender-related queries and performance-boosting prompts for neutral inputs. Extensive experiments demonstrate that FaIRMaker effectively mitigates gender bias while preserving task integrity and ensuring compatibility with both open-and closed-source LLMs.


BeyondMix: Leveraging Structural Priors and Long-Range Dependencies for Domain-Invariant LiDARSegmentation

Neural Information Processing Systems

Domain adaptation for LiDAR semantic segmentation remains challenging due to the complex structural properties of point cloud data. While mix-based paradigms have shown promise, they often fail to fully leverage the rich structural priors inherent in 3DLiDAR point clouds. In this paper, we identify three critical yet underexploited structural priors: permutation invariance, local consistency, and geometric consistency. We introduce BeyondMix, a novel framework that harnesses the capabilities of State Space Models (specifically Mamba) to construct and exploit these structural priors while modeling long-range dependencies that transcend the limited receptive fields of conventional voxel-based approaches. By employing space-filling curves to impose sequential ordering on point cloud data and implementing strategic spatial partitioning schemes, BeyondMix effectively captures domain-invariant representations. Extensive experiments on challenging LiDAR semantic segmentation benchmarks demonstrate that our approach consistently outperforms existing state-of-the-art methods, establishing a new paradigm for unsupervised domain adaptation in 3D point cloud understanding.


Personalized Decision Modeling: Utility Optimization or Textualized-Symbolic Reasoning

Neural Information Processing Systems

Decision-making models for individuals, particularly in high-stakes scenarios like vaccine uptake, often diverge from population optimal predictions. This gap arises from the uniqueness of the individual decision-making process, shaped by numerical attributes (e.g., cost, time) and linguistic influences (e.g., personal preferences and constraints). Developing upon Utility Theory and leveraging the textualreasoning capabilities of Large Language Models (LLMs), this paper proposes an Adaptive Textual-symbolic Human-centric Reasoning framework (ATHENA) to address the optimal information integration. ATHENA uniquely integrates two stages: First, it discovers robust, group-level symbolic utility functions via LLMaugmented symbolic discovery; Second, it implements individual-level semantic adaptation, creating personalized semantic templates guided by the optimal utility to model personalized choices. Validated on real-world travel mode and vaccine choice tasks, ATHENA consistently outperforms utility-based, machine learning, and other LLM-based models, lifting F1 score by at least 6.5% over the strongest cutting-edge models. Further, ablation studies confirm that both stages of ATHENA are critical and complementary, as removing either clearly degrades overall predictive performance. By organically integrating symbolic utility modeling and semantic adaptation, ATHENA provides a new scheme for modeling human-centric decisions. The project page can be found at https://yibozh.github.io/Athena.


Global Minimizers of Sigmoid Contrastive Loss

Neural Information Processing Systems

The meta-task of obtaining and aligning representations through contrastive pretraining is steadily gaining importance since its introduction in CLIP and ALIGN. In this paper we theoretically explain the advantages of synchronizing with trainable inverse temperature and bias under the sigmoid loss, as implemented in the recent SigLIP and SigLIP2 models of Google DeepMind. Temperature and bias can drive the loss function to zero for a rich class of configurations that we call (m,brel)-Constellations. (m,brel)-Constellations are a novel combinatorial object related to spherical codes and are parametrized by a margin mand relative bias brel. We use our characterization of constellations to theoretically justify the success of SigLIP on retrieval, to explain the modality gap present in SigLIP, and to identify the necessary dimension for producing high-quality representations. Finally, we propose a reparameterization of the sigmoid loss with explicit relative bias, which improves training dynamics in experiments with synthetic data.


Incomplete Multi-view Deep Clustering with Data Imputation and Alignment

Neural Information Processing Systems

Incomplete multi-view deep clustering is an emerging research hot-pot to incorporate data information of multiple sources or modalities when parts of them are missing. Most of existing approaches encode the available data observations into multiple view-specific latent representations and subsequently integrate them for the next clustering task. However, they ignore that the latent representations are unique to a fixed set of data samples in all views. Meanwhile, the pair-wise similarities of missing data observations are also failed to utilize in latent representation learning sufficiently, leading to unsatisfactory clustering performance. To address these issues, we propose an incomplete multi-view deep clustering method with data imputation and alignment.


MOOSE-Chem2: Exploring LLMLimits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

Neural Information Processing Systems

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.1