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 Deep Learning


Elastic Robust Unlearning of Specific Knowledge in Large Language Models

Neural Information Processing Systems

LLM unlearning aims to remove sensitive or harmful information within the model, thus reducing the potential risk of generating unexpected information. However, existing Preference Optimization (PO)-based unlearning methods suffer two limitations. First, their rigid reward setting limits the effect of unlearning.


APre-training Framework for Relational Data with Information-theoretic Principles

Neural Information Processing Systems

Relational databases underpin critical infrastructure across a wide range of domains, yet the design of generalizable pre-training strategies for learning from relational databases remains an open challenge due to task heterogeneity. Specifically, there exist many possible downstream tasks, as tasks are defined based on relational schema graphs, temporal dependencies, and SQL-defined label logics. An effective pre-training framework is desired to take these factors into account in order to obtain task-aware representations. By incorporating knowledge of the underlying distribution that drives label generation, downstream tasks can benefit from relevant side-channel information. To bridge this gap, we introduce Task Vector Estimation (TVE), a novel pre-training framework that constructs predictive supervisory signals via set-based aggregation over schema traversal graphs, explicitly modeling next-window relational dynamics. We formalize our approach through an information-theoretic lens, demonstrating that task-informed representations retain more relevant signals than those obtained without task priors. Extensive experiments on the RelBench benchmark show that TVE consistently outperforms traditional pre-training baselines. Our findings advocate for pre-training objectives that encode task heterogeneity and temporal structure as design principles for predictive modeling on relational databases.


HyperET: Efficient Training in Hyperbolic Space for Multi-modal Large Language Models

Neural Information Processing Systems

Multi-modal large language models (MLLMs) have emerged as a transformative approach for aligning visual and textual understanding. They typically require extremely high computational resources (e.g., thousands of GPUs) for training to achieve cross-modal alignment at multi-granularity levels. We argue that a key source of this inefficiency lies in the vision encoders they widely equip with, e.g., CLIP and SAM, which lack the alignment with language at multi-granularity levels. To address this issue, in this paper, we leverage hyperbolic space, which inherently models hierarchical levels and thus provides a principled framework for bridging the granularity gap between visual and textual modalities at an arbitrary granularity level. Concretely, we propose an efficient training paradigm for MLLMs, dubbed as HyperET, which can optimize visual representations to align with their textual counterparts at an arbitrary granularity level through dynamic hyperbolic radius adjustment in hyperbolic space. HyperET employs learnable matrices with Mรถbius multiplication operations, implemented via three effective configurations: diagonal scaling matrices, block-diagonal matrices, and banded matrices, providing a flexible yet efficient parametrization strategy. Comprehensive experiments across multiple MLLM benchmarks demonstrate that HyperET consistently improves both existing pre-training and fine-tuning MLLMs clearly with less than 1% additional parameters.


Forecasting in Offline Reinforcement Learning for Non-stationary Environments

Neural Information Processing Systems

Offline Reinforcement Learning (RL) provides a promising avenue for training policies from pre-collected datasets when gathering additional interaction data is infeasible. However, existing offline RL methods often assume stationarity or only consider synthetic perturbations at test time, assumptions that often fail in real-world scenarios characterized by abrupt, time-varying offsets. These offsets can lead to partial observability, causing agents to misperceive their true state and degrade performance. To overcome this challenge, we introduce Forecasting in Non-stationary Offline RL (FORL), a framework that unifies (i) conditional diffusion-based candidate state generation, trained without presupposing any specific pattern of future non-stationarity, and (ii) zero-shot time-series foundation models. FORL targets environments prone to unexpected, potentially non-Markovian offsets, requiring robust agent performance from the onset of each episode. Empirical evaluations on offline RL benchmarks, augmented with real-world time-series data to simulate realistic non-stationarity, demonstrate that FORL consistently improves performance compared to competitive baselines. By integrating zero-shot forecasting with the agent's experience, we aim to bridge the gap between offline RL and the complexities of real-world, non-stationary environments.


GUARDIAN: Safeguarding LLMMulti-Agent Collaborations with Temporal Graph Modeling

Neural Information Processing Systems

The emergence of large language models (LLMs) enables the development of intelligent agents capable of engaging in complex and multi-turn dialogues. However, multi-agent collaboration faces critical safety challenges, such as hallucination amplification and error injection and propagation. This paper presents GUARDIAN, a unified method for detecting and mitigating multiple safety concerns in GUARDing Intelligent Agent collaboratioNs. By modeling the multi-agent collaboration process as a discrete-time temporal attributed graph, GUARDIAN explicitly captures the propagation dynamics of hallucinations and errors. The unsupervised encoder-decoder architecture incorporating an incremental training paradigm learns to reconstruct node attributes and graph structures from latent embeddings, enabling the identification of anomalous nodes and edges with unparalleled precision. Moreover, we introduce a graph abstraction mechanism based on the Information Bottleneck Theory, which compresses temporal interaction graphs while preserving essential patterns. Extensive experiments demonstrate GUARDIAN's effectiveness in safeguarding LLM multi-agent collaborations against diverse safety vulnerabilities, achieving state-of-the-art accuracy with efficient resource utilization.


Smoothed Differentiation Efficiently Mitigates Shattered Gradients in Explanations

Neural Information Processing Systems

Thus, SmoothDiff greatly enhances the usability (quality and speed) SmoothDiff's excellent speed and performance in a number of experiments and sible for shattered gradients and making it easy to implement. We demonstrate across a network architecture, directly targeting only the non4linearities respon4 leverages automatic differentiation to decompose the expected values of Jacobians yielding a speedup of over two orders of magnitude. Specifically, SmoothDiff work we propose a well founded novel method SmoothDiff to resolve this tradeoff demand, therefore in practice only few samples are used in SmoothGrad.


AudSemThinker: Enhancing Audio-Language Models through Reasoning over Semantics of Sound

Neural Information Processing Systems

Audio-language models have shown promising results in various sound understanding tasks, yet they remain limited in their ability to reason over the fine-grained semantics of sound. In this paper, we present AUDSEMTHINKER, a model whose reasoning is structured around a framework of auditory semantics inspired by human cognition. To support this, we introduce AUDSEM, a novel dataset specifically curated for semantic descriptor reasoning in audio-language models. AUDSEM addresses the persistent challenge of data contamination in zero-shot evaluations by providing a carefully filtered collection of audio samples paired with captions generated through a robust multi-stage pipeline. Our experiments demonstrate that AUDSEMTHINKER outperforms state-of-the-art models across multiple training settings, highlighting its strength in semantic audio reasoning.


Partner Modelling Emerges in Recurrent Agents (But Only When It Matters)

Neural Information Processing Systems

Humans are remarkably adept at collaboration, able to infer the strengths and weaknesses of new partners in order to work successfully towards shared goals. To build AI systems with this capability, we must first understand its building blocks: does such flexibility require explicit, dedicated mechanisms for modelling others--or can it emerge spontaneously from the pressures of open-ended cooperative interaction? To investigate this question, we train simple model-free RNN agents to collaborate with a population of diverse partners. Using the'Overcooked-AI' environment, we collect data from thousands of collaborative teams, and analyse agents' internal hidden states. Despite a lack of additional architectural features, inductive biases, or auxiliary objectives, the agents nevertheless develop structured internal representations of their partners' task abilities, enabling rapid adaptation and generalisation to novel collaborators. We investigated these internal models through probing techniques, and large-scale behavioural analysis. Notably, we find that structured partner modelling emerges when agents can influence partner behaviour by controlling task allocation. Our results show that partner modelling can arise spontaneously in model-free agents--but only under environmental conditions that impose the right kind of social pressure.


Failure Prediction at Runtime for Generative Robot Policies

Neural Information Processing Systems

Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Therefore, early failure prediction during runtime is essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-ofdistribution (OOD) observations detected via random network distillation in the policy's embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score.


ChemOrch: Empowering LLMs with Chemical Intelligence via Synthetic Instructions

Neural Information Processing Systems

Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the misalignment of existing synthetic data generation pipelines with the inherently hierarchical and rule-governed structure of chemical information. To address this, we propose ChemOrch, a framework that synthesizes chemically grounded instruction-response pairs through a two-stage process: task-controlled instruction generation and tool-aware response construction. ChemOrch enables controllable diversity and levels of difficulty for the generated tasks, and ensures response precision through tool planning & distillation, and tool-based self-repair mechanisms. The effectiveness of ChemOrch is evaluated based on: 1) the high quality of generated instruction data, demonstrating superior diversity and strong alignment with chemical constraints; 2) the reliable generation of evaluation tasks that more effectively reveal LLM weaknesses in chemistry; and 3) the significant improvement of LLM chemistry capabilities when the generated instruction data are used for fine-tuning. Our work thus represents a critical step toward scalable and verifiable chemical intelligence in LLMs.