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 Large Language Model



MindForge: Empowering Embodied Agents with Theory of Mind for Lifelong Cultural Learning

Neural Information Processing Systems

Embodied agents powered by large language models (LLMs), such as Voyager, promise open-ended competence in worlds such as Minecraft. However, when powered by open-weight LLMs they still falter on elementary tasks after domainspecific fine-tuning. We propose MINDFORGE, a generative-agent framework for cultural lifelong learning through explicit perspective taking. We introduce three key innovations: (1) a structured theory of mind representation linking percepts, beliefs, desires, and actions; (2) natural inter-agent communication; and (3) a multi-component memory system. Following the cultural learning framework, we test MINDFORGE in both instructive and collaborative settings within Minecraft. In an instructive setting with GPT-4, MINDFORGE agents powered by open-weight LLMs significantly outperform their Voyager counterparts in basic tasks yielding 3 more tech-tree milestones and collecting 2.3 more unique items than the Voyager baseline. Furthermore, in fully collaborative settings, we find that the performance of two underachieving agents improves with more communication rounds, echoing the Condorcet Jury Theorem. MINDFORGE agents demonstrate sophisticated behaviors, including expert-novice knowledge transfer, collaborative problem solving, and adaptation to out-of-distribution tasks through accumulated cultural experiences.


Understanding and Mitigating Numerical Sources of Nondeterminism in LLMInference

Neural Information Processing Systems

Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system configuration, such as evaluation batch size, GPU count, and GPU version, can introduce significant differences in the generated responses. This issue is especially pronounced in reasoning models, where minor rounding differences in early tokens can cascade into divergent chains of thought, ultimately affecting accuracy. For instance, under bfloat16 precision with greedy decoding, a reasoning model like DeepSeek-R1-Distill-Qwen-7B can exhibit up to 9% variation in accuracy and 9,000 tokens difference in response length due to differences in GPU count, type, and evaluation batch size.


Thinking vs. Doing: Improving Agent Reasoning by Scaling Test-Time Interaction

Neural Information Processing Systems

The current paradigm of test-time scaling relies on generating long reasoning traces ("thinking" more) before producing a response. In agent problems that require interaction, this can be done by generating thinking traces before acting in the world. However, this process does not allow agents to acquire new information from the environment or adapt their behavior over time. In this work, we propose to scale test-time interaction, an untapped dimension of test-time scaling that increases the agent's interaction horizon to enable running rich behaviors such as exploration, backtracking, and dynamic re-planning within a single rollout. To demonstrate the promise of this scaling dimension, we study the domain of web agents.


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Neural Information Processing Systems

Autonomous agentic AI systems powered by vision-language models (VLMs) are rapidly advancing toward real-world deployment, yet their cross-modal reasoning capabilities introduce new attack surfaces for adversarial manipulation that exploit semantic reasoning across modalities. Existing adversarial attacks typically rely on visible pixel perturbations or require privileged model or environment access, making them impractical for stealthy, real-world exploitation. We introduce TRAP, a novel generative adversarial framework that manipulates the agent's decision-making using diffusion-based semantic injections into the vision-language embedding space. Our method combines negative prompt-based degradation with positive semantic optimization, guided by a Siamese semantic network and layout-aware spatial masking. Without requiring access to model internals, TRAP produces visually natural images yet induces consistent selection biases in agentic AI systems. We evaluate TRAP on the Microsoft Common Objects in Context (COCO) dataset, building multi-candidate decision scenarios. Across these scenarios, TRAP consistently induces decision-level preference redirection on leading models, including LLaVA-34B, Gemma3, GPT-4o, and Mistral-3.2,


Interaction Centric Knowledge Infusion and Transfer for Open Vocabulary Scene Graph Generation

Neural Information Processing Systems

Open-vocabulary scene graph generation (OVSGG) extends traditional SGG by recognizing novel objects and relationships beyond predefined categories, leveraging the knowledge from pre-trained large-scale models. Existing OVSGG methods always adopt a two-stage pipeline: 1) Infusing knowledge into large-scale models via pre-training on large datasets; 2) Transferring knowledge from pre-trained models with fully annotated scene graphs during supervised fine-tuning. However, due to a lack of explicit interaction modeling, these methods struggle to distinguish between interacting and non-interacting instances of the same object category. This limitation induces critical issues in both stages of OVSGG: it generates noisy pseudo-supervision from mismatched objects during knowledge infusion, and causes ambiguous query matching during knowledge transfer. To this end, in this paper, we propose an interACtion-Centric end-to-end OVSGG framework (ACC) in an interaction-driven paradigm to minimize these mismatches. For interactioncentric knowledge infusion, ACC employs a bidirectional interaction prompt for robust pseudo-supervision generation to enhance the model's interaction knowledge. For interaction-centric knowledge transfer, ACC first adopts interaction-guided query selection that prioritizes pairing interacting objects to reduce interference from non-interacting ones. Then, it integrates interaction-consistent knowledge distillation to bolster robustness by pushing relational foreground away from the background while retaining general knowledge. Extensive experimental results on three benchmarks show that ACC achieves state-of-the-art performance, demonstrating the potential of interaction-centric paradigms for real-world applications.


In-Context Learning of Linear Dynamical Systems with Transformers: Approximation Bounds and Depth-separation

Neural Information Processing Systems

This paper investigates approximation-theoretic aspects of the in-context learning capability of the transformers in representing a family of noisy linear dynamical systems. Our first theoretical result establishes an upper bound on the approximation error of multi-layer transformers with respect to an L2-testing loss uniformly defined across tasks. This result demonstrates that transformers with logarithmic depth can achieve error bounds comparable with those of the least-squares estimator. In contrast, our second result establishes a non-diminishing lower bound on the approximation error for a class of single-layer linear transformers, which suggests a depth-separation phenomenon for transformers in the in-context learning of dynamical systems.


PiKE: Adaptive Data Mixing for Large-Scale Multi-Task Learning Under Low Gradient Conflicts

Neural Information Processing Systems

Modern foundation models are trained on diverse datasets to enhance generalization across tasks and domains. A central challenge in this process is determining how to effectively mix and sample data from multiple sources. This naturally leads to a multi-task learning (MTL) perspective. While prior work in MTL has emphasized mitigating gradient conflicts, we observe that large-scale pretraining scenarios--such as multilingual or multi-domain training--often exhibit little to no gradient conflict. Motivated by this observation, we propose PiKE (Positive gradient interaction-based K-task weights Estimator), an adaptive data mixing algorithm that dynamically adjusts sampling weights during training. PiKE exploits non-conflicting gradient interactions to minimize a near-tight upper bound on the average loss decrease at each step, while incurring negligible computational overhead. We provide theoretical convergence guarantees and show that PiKE outperforms static and non-adaptive mixing baselines. Furthermore, we extend PiKE to promote balanced learning across tasks. Extensive experiments on largescale language model pretraining confirm that PiKE achieves faster convergence and improved downstream performance compared to existing approaches.


LLMMeets Diffusion: AHybrid Framework for Crystal Material Generation

Neural Information Processing Systems

Recent advances in generative modeling have shown significant promise in designing novel periodic crystal structures. Existing approaches typically rely on either large language models (LLMs) or equivariant denoising models, each with complementary strengths: LLMs excel at handling discrete atomic types but often struggle with continuous features such as atomic positions and lattice parameters, while denoising models are effective at modeling continuous variables but encounter difficulties in generating accurate atomic compositions. To bridge this gap, we propose CrysLLMGen, a hybrid framework that integrates an LLM with a diffusion model to leverage their complementary strengths for crystal material generation. During sampling, CrysLLMGen first employs a fine-tuned LLM to produce an intermediate representation of atom types, atomic coordinates, and lattice structure. While retaining the predicted atom types, it passes the atomic coordinates and lattice structure to a pre-trained equivariant diffusion model for refinement. Our framework outperforms state-of-the-art generative models across several benchmark tasks and datasets. Specifically, CrysLLMGen not only achieves a balanced performance in terms of structural and compositional validity but also generates more stable and novel materials compared to LLM-based and denoisingbased models Furthermore, CrysLLMGen exhibits strong conditional generation capabilities, effectively producing materials that satisfy user-defined constraints.


Soft Thinking: Unlocking the Reasoning Potential of LLMs in Continuous Concept Space

Neural Information Processing Systems

Human cognition typically involves thinking through abstract, fluid concepts rather than strictly using discrete linguistic tokens. Current reasoning models, however, are constrained to reasoning within the boundaries of human language, processing discrete token embeddings that represent fixed points in the semantic space. This discrete constraint restricts the expressive power and upper potential of such reasoning models, often causing incomplete exploration of reasoning paths, as standard Chain-of-Thought (CoT) methods rely on sampling one token per step. In this work, we introduce Soft Thinking, a training-free method that emulates human-like "soft" reasoning by generating soft, abstract concept tokens in a continuous concept space. These concept tokens are created by the probability-weighted mixture of token embeddings, which form the continuous concept space, enabling smooth transitions and richer representations that transcend traditional discrete boundaries. In essence, each generated concept token encapsulates multiple meanings from related discrete tokens, implicitly exploring various reasoning paths to converge effectively toward the correct answer. Empirical evaluations on diverse mathematical and coding benchmarks consistently demonstrate the effectiveness and efficiency of Soft Thinking, improving pass@1 accuracy by up to 2.48 points while simultaneously reducing token usage by up to 22.4% compared to standard CoT. Qualitative analysis further reveals that Soft Thinking outputs remain highly interpretable and readable, highlighting the potential of Soft Thinking to break the inherent bottleneck of discrete language-based reasoning.