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 Performance Analysis


Why Knowledge Distillation Works in Generative Models: AMinimal Working Explanation

Neural Information Processing Systems

Knowledge distillation (KD) is a core component in the training and deployment of modern generative models, particularly large language models (LLMs). While its empirical benefits are well documented--enabling smaller student models to emulate the performance of much larger teachers--the underlying mechanisms by which KD improves generative quality remain poorly understood. In this work, we present a minimal working explanation of KD in generative modeling. Using a controlled simulation with mixtures of Gaussians, we demonstrate that distillation induces a trade-off between precision and recall in the student model. As the teacher distribution becomes more selective, the student concentrates more probability mass on high-likelihood regions at the expense of coverage, which is a behavior modulated by a single entropy-controlling parameter.


AUnified Reasoning Framework for Holistic Zero-Shot Video Anomaly Analysis

Neural Information Processing Systems

Most video-anomaly research stops at frame-wise detection, offering little insight into why an event is abnormal, typically outputting only frame-wise anomaly scores without spatial or semantic context. Recent video anomaly localization and video anomaly understanding methods improve explainability but remain data-dependent and task-specific. We propose a unified reasoning framework that bridges the gap between temporal detection, spatial localization, and textual explanation. Our approach is built upon a chained test-time reasoning process that sequentially connects these tasks, enabling holistic zero-shot anomaly analysis without any additional training. Specifically, our approach leverages intra-task reasoning to refine temporal detections and inter-task chaining for spatial and semantic understanding, yielding improved interpretability and generalization in a fully zero-shot manner. Without any additional data or gradients, our method achieves state-of-the-art zero-shot performance across multiple video anomaly detection, localization, and explanation benchmarks. The results demonstrate that careful prompt design with task-wise chaining can unlock the reasoning power of foundation models, enabling practical, interpretable video anomaly analysis in a fully zero-shot manner.


Structure Aware Fusion with Progressive Injection for Molecular Representation Learning

Neural Information Processing Systems

Multimodal molecular models often suffer from 3D conformer unreliability and modality collapse, limiting their robustness and generalization. We propose MuMo, a structured multimodal fusion framework that addresses these challenges in molecular representation through two key strategies. To reduce the instability of conformer-dependent fusion, we design a Structured Fusion Pipeline (SFP) that combines 2D topology and 3D geometry into a unified and stable structural prior. To mitigate modality collapse caused by naive fusion, we introduce a Progressive Injection (PI) mechanism that asymmetrically integrates this prior into the sequence stream, preserving modality-specific modeling while enabling cross-modal enrichment. Built on a state space backbone, MuMo supports long-range dependency modeling and robust information propagation. Across 29 benchmark tasks from Therapeutics Data Commons (TDC) and MoleculeNet, MuMo achieves an average improvement of 2.7% over the best-performing baseline on each task, ranking first on 22 of them, including a 27% improvement on the LD50 task.


RSafe: Incentivizing proactive reasoning to build robust and adaptive LLM safeguards

Neural Information Processing Systems

Large Language Models (LLMs) continue to exhibit vulnerabilities despite deliberate safety alignment efforts, posing significant risks to users and society. To safeguard against the risk of policy-violating content, system-level moderation via external guard models--designed to monitor LLM inputs and outputs and block potentially harmful content--has emerged as a prevalent mitigation strategy. Existing approaches of training guard models rely heavily on extensive human curated datasets and struggle with out-of-distribution threats, such as emerging harmful categories or jailbreak attacks. To address these limitations, we propose RSafe, an adaptive reasoning-based safeguard that conducts guided safety reasoning to provide robust protection within the scope of specified safety policies. RSafe operates in two stages: (1) guided reasoning, where it analyzes safety risks of input content through policy-guided step-by-step reasoning, and (2) reinforced alignment, where rule-based RL optimizes its reasoning paths to align with accurate safety prediction.


Enhancing LLMWatermark Resilience Against Both Scrubbing and Spoofing Attacks

Neural Information Processing Systems

Watermarking is widely regarded as a promising defense against the misuse of large language models (LLMs); however, existing methods are fundamentally constrained by their vulnerability to scrubbing and spoofing attacks. This vulnerability stems from an inherent trade-off governed by watermark window size: smaller windows resist scrubbing better but are easier to reverse-engineer, enabling lowcost statistics-based spoofing attacks. This work expands the trade-off boundary by introducing a novel mechanism, equivalent texture keys, where multiple tokens within a watermark window can independently support the detection. Based on the redundancy, we propose a watermark scheme with Sub-vocabulary decomposed Equivalent tExture Key (SEEK). SEEK achieves a Pareto improvement, enhancing robustness to scrubbing attacks without sacrificing resistance to spoofing.


MoodAngels: ARetrieval-augmented Multi-agent Framework for Psychiatry Diagnosis

Neural Information Processing Systems

The application of AI in psychiatric diagnosis faces significant challenges, including the subjective nature of mental health assessments, symptom overlap across disorders, and privacy constraints limiting data availability. To address these issues, we present MoodAngels, the first specialized multi-agent framework for mood disorder diagnosis. Our approach combines granular-scale analysis of clinical assessments with a structured verification process, enabling more accurate interpretation of complex psychiatric data. Complementing this framework, we introduce MoodSyn, an open-source dataset of 1,173 synthetic psychiatric cases that preserves clinical validity while ensuring patient privacy. Experimental results demonstrate that MoodAngels outperforms conventional methods, with our baseline agent achieving 12.3% higher accuracy than GPT-4o on real-world cases, and our full multi-agent system delivering further improvements. Evaluation in the MoodSyn dataset demonstrates exceptional fidelity, accurately reproducing both the core statistical patterns and complex relationships present in the original data while maintaining strong utility for machine learning applications. Together, these contributions provide both an advanced diagnostic tool and a critical research resource for computational psychiatry, bridging important gaps in AI-assisted mental health assessment.


Preserving Task-Relevant Information Under Linear Concept Removal

Neural Information Processing Systems

Existing post-hoc approaches can remove undesired concepts but often degrade useful signals. We introduce SPLINCE--Simultaneous Projection for LINear concept removal and Covariance prEservation--which eliminates sensitive concepts from representations while exactly preserving their covariance with a target label. SPLINCE achieves this via an oblique projection that "splices out" the unwanted direction yet protects important label correlations. Theoretically, it is the unique solution that removes linear concept predictability and maintains target covariance with minimal embedding distortion. Empirically, SPLINCE outperforms baselines on benchmarks such as Bias in Bios and Winobias, removing protected attributes while minimally damaging main-task information.


Nemotron-CLIMB: CLustering-based Iterative Data Mixture Bootstrapping for Language Model Pre-training

Neural Information Processing Systems

Pre-training datasets are typically collected from web content and lack inherent domain divisions. For instance, widely used datasets like Common Crawl do not include explicit domain labels, while manually curating labeled datasets such as The Pile is labor-intensive. Consequently, identifying an optimal pre-training data mixture remains a challenging problem, despite its significant benefits for pre-training performance. To address these challenges, we propose CLusteringbased Iterative Data Mixture Bootstrapping (Nemotron-CLIMB), an automated framework that discovers, evaluates, and refines data mixtures in a pre-training setting. Specifically, Nemotron-CLIMB embeds and clusters large-scale datasets in a semantic space and then iteratively searches for optimal mixtures using a smaller proxy model and a predictor. This strategy enables effective domain adaptation without relying solely on curated data. When continuously trained on 400B tokens with this mixture, our 1B model exceeds the state-of-the-art Llama-3.2-1B by 2.0%. Moreover, we observe that optimizing for a specific domain (e.g., Social Sciences) yields a 5% improvement over random sampling.