NeurIPS 2026 Papers

Conference on Neural Information Processing Systems

Decision breakdown

6,437papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    991.5%
  • Spotlight
    2403.7%
  • Poster
    6,09894.7%

Browse all papers

LUMOS: Tracing Parametric Knowledge from Training Data to Behavioral Outputs in LLMs

Seoyeon Ye, Gayoung Kim, Jiyoung Hong, Soo Kyung Kim, Hyunsoo Cho

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Current analyses of LLMs' parametric knowledge are largely output-centric, drawing conclusions about what a model knows without verifying what it was actually trained on. This leaves fundamental questions, such as whether a correct response reflects genuine generalization or rote memorization, grounded in speculation rather than evidence. To resolve these ambiguities, we introduce LUMOS, a diagnostic framework that traces knowledge along the causal chain from training-data exposure to behavioral output, leveraging OLMo 2 with its fully transparent training corpus. By grounding analysis in verified exposure, we reveal that models internally encode rare facts with high separability (84%) yet fail to express them behaviorally (54%), though this retrieval gap narrows with scale. Furthermore, when models are asked to self-reflect on their own answers, they perform reliably on trained content (83%) but drop to random-baseline levels (49%) on unseen content. This collapse persists even under chain-of-thought prompting, which inflates confidence signals rather than improving calibration. Collectively, these findings demonstrate that incorporating the training-data axis into LLM evaluation transforms speculative diagnoses into verifiable claims, and we advocate that this axis should be a standard component of knowledge assessment in LLMs.

Poster
LSVD: Loss-Aware Low-Rank Approximation for Efficient Low-Precision Vision-Language Models

Haiyu Wang, Yutong Wang, Leshu Li, Yihui Ren, Sai Qian Zhang

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Vision-language models (VLMs) deliver strong multimodal reasoning capabilities, but their large computational cost and high parameter counts make deployment challenging on resource-constrained devices. Low-rank decomposition has emerged as a promising compression technique, yet existing methods often optimize local matrix reconstruction error, rely on uniform or heuristic rank allocation, and focus mainly on attention projections while leaving feed-forward networks underexplored. In this paper, we propose~\textit{LSVD}, a loss-aware low-rank approximation framework for efficient low-precision VLMs. LSVD derives a curvature-weighted SVD objective from a second-order approximation of the model loss and uses Kronecker-factored Fisher information to guide decomposition toward downstream performance rather than reconstruction alone. We further introduce a loss-aware cross-layer rank allocation strategy based on calibration gradients, enabling more effective parameter budgeting across layers. Finally, we extend low-rank compression to FFN layers through a hybrid scheme that combines SVD with quantization. The evaluation results show that LSVD achieves over $2.3\times$ decoding speedup over previous work while preserving strong accuracy under low-precision inference.

Poster
LSC-Parlament: An Automatically Aligned Catalan Sign Language Dataset from Parliament Videos.

Carlos Escolano, Gerard Sant, Marc J Garcia, Joan G Cortés, Marcel Granero Moya, Francesca de Luca Fornaciari, Maite Melero

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Progress in Sign Language Translation (SLT) is frequently hampered by the "data bottleneck," a challenge particularly acute for regional languages such as Catalan Sign Language (LSC). In this paper, we present LSC-Parlament, a large-scale, multimodal dataset for LSC derived from Catalan Parliament sessions spanning 2021 to 2024. The dataset comprises over 87 hours of LSC video, synchronized with speech and text translations in either Catalan or Spanish. To curate this resource, we developed a fully automated pipeline that enables alignment between sign language, speech, and text without requiring prior human-annotated data. We provide a systematic evaluation of the dataset across multiple dimensions, including video tracking quality, audio transcription accuracy, and translation benchmarks. Our experiments compare transfer learning, zero-shot, and supervised translation settings, demonstrating significant knowledge transfer between spoken languages in the LSC-Spanish modality. By releasing LSC-Parlament, we provide a challenging open-domain benchmark to foster research in inclusive and scalable translation technologies.

Poster
LR-V2X: Loss Resilient Collaborative Perception under Low-Bandwidth Communication

Kang Yang, Tianci Bu, Peng Wang, Deying Li, Yongcai Wang

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Given the inherent unpredictability of packet loss in vehicular wireless communications, V2X collaborative perception can yield practical benefits only if agents can achieve reliable collaboration under lossy and low-bandwidth communication conditions. Existing dense BEV feature fusion methods depend on redundant BEV feature exchange, which is infeasible in low-bandwidth scenarios, while compact-communication methods aggressively compress messages but can hardly recover the missing feature content after packet loss. In this paper, we present LR-V2X, a loss-resilient, latent-space reconstruction framework that converts corrupted received latents (even under severe 90\% packet loss) into a spatial prior and then reconstructs the missing BEV information from this informative prior and using ego context as condition. Notably, the model can be trained under complete communication conditions and can be directly applied to lossy conditions at test time, eliminating the need for training under numerous lossy conditions. Experiments on DAIR-V2X and V2XREAL show that LR-V2X delivers the strongest robustness under severe packet loss and preserves reliable collaboration as communication quality degrades. And it reduces communication overhead by $64\times$ compared to dense BEV feature fusion baselines. Code will be publicly released.

Poster
LPS-Bench: Benchmarking Safety Awareness of Computer-Use Agents in Long-Horizon Planning under Benign and Adversarial Scenarios

Tianyu Chen, Chujia Hu, Dongrui Liu, Xia Hu, Wenjie Wang

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Computer-use agents (CUAs) that interact with real systems can automate complex tasks, but introduce critical safety risks in long-horizon tool-use workflows. Many existing benchmarks rely on outcome-based evaluation, however, outcome-based evaluation cannot reflect agent's safety awareness, as an agent may reach a safe outcome by chance while taking unsafe steps during planning. To address this gap, we present \textsc{LPS-Bench}, which extends the outcome-centric evaluation towards LLM agents' safety awareness in tool usage (MCP/skill) over long-horizon tasks, as reflected at the action trajectory level. \textsc{LPS-Bench} comprises 570 test cases derived from 65 scenarios across 7 task domains and 9 planning-risk types, with user contexts spanning both benign ambiguity and adversarial steering. Results on \textsc{LPS-Bench} across 13 representative LLM agents reveal previously underexamined safety failures in long-horizon tool-use tasks, showing that current agents often struggle to maintain safety awareness under ambiguous benign instructions and adversarial steering. We further analyze key failure modes and evaluate lightweight mitigation strategies, showing that prompt-based interventions provide limited improvements yet remain insufficient for robust trajectory-level planning safety.

Poster
LPG: Balancing Efficiency and Policy Reasoning in Latent Policy Guardrails

Nanxi Li, Zhengyue Zhao, Chaowei Xiao

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Guardrails are a critical safety layer for modern AI systems, but their operating regime is changing. As LLMs are deployed as customized assistants, safety policies are increasingly specified at inference time by users, organizations, or regulatory contexts. This makes safety enforcement fundamentally dynamic: the guardrail should adapt to changing safety policies without retraining. Yet this requirement creates a fundamental tension: faithfully judging complex policy contexts demands reasoning capability, while practical deployment requires low-latency responses. We introduce Latent Policy Guardrail (LPG), a guardrail framework that learns **semantic latent deliberation** over dynamic policies. LPG compresses the internal deliberation needed for intent interpretation and policy grounding into continuous states supervised by decision-relevant semantics. At inference time, it generates only a compact verdict anchored to the violated policy clauses, preserving auditability while avoiding the latency of explicit reasoning. Across policy guardrail benchmarks, LPG-4B reaches 84.5% average safety accuracy and 77.9% F1 by compressing deliberation into just 10 latent tokens, outperforming the strongest dynamic baseline while running roughly 11 times faster than Qwen3-4B-Thinking under the single-sample evaluation setup.

Poster
LOTION: Smoothing the Optimization Landscape for Quantized Training

Mujin Kwun, Depen Morwani, Huangyuan Su, Stephanie Gil, Nikhil Anand, Sham Kakade

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Optimizing neural networks for quantized objectives is fundamentally challenging because the quantizer is piece-wise constant, yielding zero gradients everywhere except at quantization thresholds where the derivative is undefined. Most existing methods deal with this issue by relaxing gradient computations with techniques like Straight Through Estimators (STE) and do not provide any guarantees of convergence. In this work, taking inspiration from Nesterov smoothing, we approximate the quantized loss surface with a continuous loss surface. In particular, we introduce LOTION, **L**ow-precision **O**ptimization via s**T**ochastic-no**I**se sm**O**othi**N**g, a principled smoothing framework that replaces the raw quantized loss with its expectation under unbiased randomized-rounding noise. In this framework, standard optimizers are guaranteed to converge to a local minimum of the loss surface. Moreover, when using noise derived from stochastic rounding, we show that the global minima of the original quantized loss are preserved. We empirically demonstrate that this method outperforms standard QAT on synthetic testbeds and on 150M-, 300M-, and 600M- parameter language models. On the 150M INT4 benchmark with modern QAT baselines, LOTION further achieves the best quantized validation loss.

Poster
LOSCAR-SGD: Local SGD with Communication-Computation Overlap and Delay-Corrected Sparse Model Averaging

Peter Richtarik, Yassine Maziane, Ammar Mahran, Artavazd Maranjyan

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Communication is a major bottleneck in distributed learning, especially in large-scale settings and in federated learning environments with slow links. Three standard ways to reduce this cost are communication compression, local training, and communication-computation overlap. Methods that combine these ingredients are used in practice and have been found to be effective for large-scale training, but there is little theory for methods that combine all three. We study a heterogeneous-compute setting in which different workers may take different numbers of local steps, and we propose LOSCAR-SGD, a Local SGD method that communicates only a sparse subset of model coordinates and continues optimizing while communication is in flight. A key ingredient is a delay-corrected merge rule that incorporates delayed synchronized information without discarding the progress made during the overlap phase. We give convergence guarantees for smooth non-convex objectives and show how sparsity, overlap, and worker heterogeneity affect the rate. To the best of our knowledge, this is the first theory for this combination of ingredients. Experiments further show that communication-computation overlap reduces training time and that the delay-corrected merge outperforms naive overwriting.

Poster
LOFT: Low-Rank Orthogonal Fine-Tuning via Task-Aware Support Selection

Lanxin Zhao, Bamdev Mishra, Pratik Kumar Jawanpuria, Lequan Lin, Dai Shi, Junbin Gao, Andi Han

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Orthogonal parameter-efficient fine-tuning adapts pretrained weights through structure-preserving multiplicative transformations, but existing methods often conflate two distinct design choices: the subspace in which adaptation occurs and the transformation applied within that subspace. This paper introduces LOFT, a low-rank orthogonal fine-tuning framework that explicitly separates these two components. By viewing orthogonal adaptation as a multiplicative subspace rotation, LOFT provides a unified formulation that recovers representative orthogonal PEFT methods, including coordinate-, butterfly-, Householder-, and principal-subspace-based variants. More importantly, this perspective exposes support selection as a central design axis rather than a byproduct of a particular parameterization. We develop a first-order analysis showing that useful adaptation supports should be informed by the downstream training signal, motivating practical gradient-informed support selection strategies. Across language understanding, visual transfer, mathematical reasoning, and multilingual out-of-distribution adaptation, LOFT recovers principal-subspace orthogonal adaptation while gradient-informed supports improve the efficiency–performance trade-off under matched parameter, memory, and transform budgets. These results suggest that principled support selection is an important direction for improving orthogonal PEFT.

Poster
LOCU: Löwdin-Orthogonalized Constraint Updates for Multi-Constraint Policy Optimization

Joonyoung Lim, Younghwan Yoo

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We investigate multi-constraint policy optimization in constrained Markov decision processes (CMDPs), where interactions among constraint gradients often yield ill-conditioned update directions, causing numerically fragile steps and unintended cancellation or redundant overlap in constraint corrections. To address this, we propose LOCU, which decouples constraint interactions by applying symmetric L\"owdin orthogonalization to the natural gradients of the reward and constraints under the Fisher–Rao metric. Combined with Fisher-geometric screening and near-collinear compression, LOCU yields a compact reduced space in which the trust region becomes a Euclidean ball and constraints are handled symmetrically through a low-dimensional active-set solve. For infeasible iterates, LOCU construct a Pareto-descent direction that simultaneously reduces violated constraints while preserving satisfied ones within the same reduced formulation. Experiments show that LOCU remains stable under high constraint coupling, narrow feasible regions, and infeasible starts, and generalizes across different cost critic architectures.

Poster
LOCO: Local Light-Aware Object Compositing with Spatially Varying Illumination-Augmented Data

Jinseo Jeong, Hyunsoo Kim, Junseo Koo, Junhyeog Yun, Gunhee Kim, Soo Ye Kim

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In natural scenes, light sources and occlusions from scene geometry create spatially varying illumination, including brightness gradients, cast shadows, and local color shifts that shape how every object appears. A less explored aspect of diffusion-based object compositing is whether an inserted object can adapt to this local illumination at the desired location. The core challenge to achieve this is the scarcity of large-scale training data capturing how object appearance should adapt to location-dependent illumination. We present LOCO, a data augmentation framework for LOcal light-aware object COmpositing that leverages publicly available monocular videos as illumination sources. We treat each video frame as a virtual spotlight anchored at its camera pose, so that viewpoint variation across a video yields diverse light directions. With controllable beam shape, color, and intensity, this design enables large-scale generation of training data for placement-dependent illumination on the fly. We also introduce LOCO-bench, a benchmark of physically captured composites under spatially varying illumination, where the same object is placed at multiple locations within each scene. Experiments on Laval Indoor SV HDR and LOCO-bench show that LOCO outperforms prior methods in local illumination adaptation while preserving object identity.

Poster
LLMs can construct powerful representations and streamline sample-efficient supervised learning

Ilker Demirel, Lawrence Shi, Zeshan Hussain, David Sontag

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As real-world datasets become more complex and heterogeneous, supervised learning is often bottlenecked by input representation design. Modeling multimodal data, such as time-series, free text, and structured records, often requires non-trivial domain expertise. We propose an agentic pipeline to streamline this process. First, an LLM analyzes a small but diverse subset of text-serialized input examples *in-context* to synthesize a *global rubric*, which acts as a programmatic specification for extracting and organizing evidence. This rubric is then used to transform *naive* text-serializations of inputs into a more standardized format for downstream models. We also describe *local rubrics*, which are task-conditioned summaries generated by an LLM. Across 15 clinical tasks from the EHRSHOT benchmark, our rubric-based approaches significantly outperform traditional count-feature models, naive LLM baselines, and a clinical foundation model pretrained on orders of magnitude more data. Beyond performance, rubrics offer operational advantages such as being easy to audit, cost-effectiveness at scale, and facilitating tabular representations.

Poster
LLMs as MDP Designers: A Dependency-Aware Agentic Framework for Automated Robot Policy Generation

Hong Je-Gal, Jinwoo Kim, Chanbin YI, Hyun-Suk Lee

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We investigate the automated generation of executable robot reinforcement learning (RL) policies from natural-language task descriptions. Rather than using large language models (LLMs) as execution-time decision makers, we use them as designers that construct RL pipelines before deployment, including Markov decision process (MDP) formulation and simulator implementation. We identify a phase-wise structure in this problem: MDP formulation is dependency-structured and sequential, whereas simulator implementation becomes modular once the formulation is fixed. Based on this structure, we propose ARPG, a dependency-aware agentic framework that performs sequential MDP modeling, localized verification and correction, and simulator-structured implementation while externalizing intermediate artifacts. ARPG targets a key failure mode of automated policy generation: executable code may still yield non-learnable policies when state, action, reward, and termination artifacts are not semantically aligned. Experiments in Isaac Sim show that ARPG improves modeling correctness, environment executability, and policy-generation success compared with monolithic LLM baselines and off-the-shelf agentic systems. Additional demonstrations on custom robotics, standard RL, and engineering-domain MDPs further suggest that the same modeling pipeline can be reused beyond the main benchmark suite.

Poster
LLMs Show No Signs Of Individuated Metacognition

M. Moran, Mark Whiting

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Confidence-weighted routing, selective abstention, and ensemble weighting all assume that a model's stated confidence is informative about its capability on the question being asked. They presume functional metacognition, the capacity to assess one's own capabilities, without exercising them, relative to other frontier language models. Aggregate calibration is well studied, with mixed results, but the underlying structure of elicited confidence is less well understood. We decompose binary confidence judgements from 20 frontier Large Language Models (LLMs) across six benchmarks using tetrachoric factor analysis paired with pairwise calibration, asking whether two models that differ in confidence also differ in performance. On factual recall and information retrieval benchmarks the cross-model confidence matrix is approximately rank-one and a single dominant factor captures most of the latent variance. Models retrieving facts share an item-level difficulty axis and differ mainly in their decision thresholds along it. Across all benchmarks the relationship between confidence and performance collapses once items that all models agree on are removed. Inter-model pairwise calibration is small even where statistically significant, and what remains shrinks to nothing once base-rate differences along the shared factor are controlled for. Mathematical reasoning is the apparent exception, but this turns out to be a confound where reasoning models answer questions about their confidence by trying to solve them in their chain of thought, bypassing the sub-symbolic self-knowledge we seek to measure. We find no evidence for significant verbalised individuated metacognition in any tested domain. A trivial logistic regression on surface features of the confidence-judgement reasoning text beats the median confidence model's repeatedly sampled judgements on half the benchmarks, evidence that extracting uncertainty from the reasoning trace recovers signal the binary judgement does not.

Poster
LLMs Optimizing LLMs: Automated MegaKernel Generation for Inference Acceleration

Weiqiang Xiong, Shaohui Peng, Wenyi Li, Hao Lu, Qirui Zhou, Congying Ma, Ziming Ye, Zhenyu Yi, Yunji Chen, Qi Guo, Ling Li

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High-performance inference for large models is critical in latency-sensitive applications. Existing inference engines suffer from sequential execution of hundreds of fine-grained kernels, causing kernel launch overheads and redundant memory accesses. A promising solution is fusing multiple kernels into a single large kernel, namely MegaKernel. However, existing MegaKernel implementations are tightly coupled to specific models and GPU architectures and require extensive manual engineering. We propose an LLM-driven framework AutoMegaKernel, which leverages an Instruction-Centric Fusion Abstraction to decompose MegaKernels into tractable fusion instructions, thereby enabling automated generation. Our framework jointly performs fusion strategy reasoning and CUDA code generation while hierarchically verifying correctness. Extensive experiments demonstrate that AutoMegaKernel consistently outperforms state-of-the-art inference engines (up to 5.04$\times$ vLLM and 2.42$\times$ SGLang) and compilers (up to 1.92$\times$ MPK), while supporting a broader range of models (dense, MoE, and VLA) and NVIDIA GPU platforms (Hopper, Ampere, and Ada).

Poster
LLMs Keep Thinking When Told Not To

Dianqiao Lei, Kevin Qinghong Lin, Pan Lu, Philip Torr, James Zou

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Large Language Models (LLMs) increasingly ship with “thinking modes”, yet their counterpart, the “no-thinking” has received far less exploration. In this work, we revisit language model “no-thinking” behavior along the following efforts: **(a) Explore the definition of no-thinking.** Rather than relying on proxies like thinking-mode control, we split each response into pre-answer text and a final answer, scoring both answer-only compliance and the question–pre-answer relevance. **(b) Broad experimental coverage.** We evaluate multiple no-think controls (thinking-mode toggles, prompt instructions, *etc.*) across boolean, multiple-choice, and open-ended tasks, on open-source models with scaled variants, and proprietary models. With extensive experiments, we found that **(i)** Explicit no-think controls do not reliably eliminate visible reasoning-like content. Instead, models exhibit **(ii)** *“thinking inertia”*: residual content is systematically organized by the task's answer space, with boolean verification compressing most easily, multiple-choice tasks forming an intermediate regime, and open-ended tasks remaining the most resistant. **(iii)** We further identify what we call a no-thinking and performance trade-off in open-ended: stronger answer-only constraints on complex tasks either fail to suppress the intermediate payload or succeed by removing computation needed for accuracy. **(iv)** Finally, we show that compressibility depends strongly on the structural support provided by the question itself. Thus, no-think controls are not direct guarantees of no-thinking; they must be evaluated jointly through answer-only success, visible payload, and task accuracy. We hope our work moves LLMs closer to a human-like ability to stop thinking on demand.

Poster
LLMs Improving LLMs: Agentic Discovery for Test-Time Scaling

Tong Zheng, Haolin Liu, Chengsong Huang, Huiwen Bao, Sheng Zhang, Rui Liu, Runpeng(Leo) Dai, Ruibo Chen, Chenxi Liu, Tianyi Xiong, Xidong Wu, Hongming Zhang, Heng Huang

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Test-time scaling (TTS) has become an effective approach for improving large language model performance by allocating additional computation during inference. However, existing TTS strategies are largely hand-crafted: researchers manually design reasoning patterns and tune heuristics by intuition, leaving much of the computation-allocation space unexplored. We propose an environment-driven framework, **AutoTTS**, that changes what researchers design: from individual TTS heuristics to environments where TTS strategies can be discovered automatically. The key to AutoTTS lies in environment construction: the discovery environment must make the control space tractable and provide cheap, frequent feedback for TTS search. As a concrete instantiation, we formulate width--depth TTS as controller synthesis over pre-collected reasoning trajectories and probe signals, where controllers decide when to branch, continue, probe, prune, or stop and can be evaluated cheaply without repeated LLM calls. We further introduce beta parameterization to reduce search-set overfitting and fine-grained execution trace feedback to improve discovery efficiency by helping the agent diagnose why a TTS program fails. Experiments on mathematical reasoning benchmarks show that the discovered strategies improve the overall accuracy--cost tradeoff over strong manually designed baselines. The discovered strategies generalize to held-out benchmarks and model scales, while the entire discovery costs only **$39.9** and **160 minutes**.

Poster
LLM-Enhanced Random Forests in Orthogonal Hyperbolic Subspaces for Tabular Learning

Shengpeng Wang, Yisen Gao, Han Xiang, Lingyun Liu, Ziwei Zhang, Qingyun Sun, Xianxian LI, Xingcheng Fu

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Tabular data is widely applied in critical domains, where tree-based models remain dominant, yet their performance is often constrained by manual heuristic splitting criteria and limited ensemble diversity. While hyperbolic geometry naturally fits the hierarchical topology of tabular data, existing hyperbolic algorithms are hindered by complex Riemannian optimization and the difficulty of defining subtree priors in non-Euclidean spaces. To address these challenges, we propose HOT, a hyperbolic random forest framework based on data decoupling. First, we leverage intrinsic geometric structures and LLM reasoning to guide subtree construction, replacing traditional manual heuristics with geometric-semantic priors. Second, we introduce an orthogonal hyperbolic subspace projection mechanism via tangent space isometry, effectively decoupling feature dependencies and maximizing ensemble diversity. Finally, we establish an end-to-end collaborative training paradigm where gradient residuals from a graph network directly guide the growth of new hyperbolic trees, bypassing expensive iterative optimization. Experiments on 13 benchmark datasets demonstrate that HOT significantly outperforms state-of-the-art baselines in both computational efficiency and predictive performance.

Oral
LLM-Based Multi-Agent Blackboard System for Information Discovery in Data Science

Alireza Salemi, Mihir Parmar, Palash Goyal, Yiwen Song, Jinsung Yoon, Hamed Zamani, Tomas Pfister, Hamid Palangi

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Advances in large language models (LLMs) have created new opportunities in data science, but their deployment is often limited by the challenge of finding relevant data in large data lakes. Existing methods struggle with this: both single- and multi-agent systems are quickly overwhelmed by large, heterogeneous files, and master–slave multi-agent systems rely on a rigid central controller that requires precise knowledge of each sub-agent’s capabilities, which is not possible in large-scale settings where the main agent lacks full observability over sub-agents’ knowledge and competencies. We propose a novel multi-agent paradigm inspired by the blackboard architecture for traditional AI models. In our framework, a central agent posts requests to a shared blackboard, and autonomous subordinate agents--either responsible for a partition of the data lake or retrieval from web--volunteer to respond based on their capabilities. This design improves scalability and flexibility by removing the need for a central coordinator to know each agent’s expertise or internal knowledge. We evaluate the approach on three benchmarks that require data discovery: KramaBench and modified versions of DSBench and DA-Code. Results show that the blackboard architecture substantially outperforms strong baselines, achieving 13%–57% relative improvements in end-to-end success and up to a 9% relative gain in data discovery F1 over the best baseline.

Poster
LLM-AutoSciLab: Closed-Loop Scientific Law Discovery via Active Experimentation with LLMs

Sanchit Kabra, Nikhil Abhyankar, Saaketh Desai, Prasad Iyer, Chandan Reddy

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Scientific discovery is a closed-loop process in which hypotheses guide data acquisition, and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish among them or refine them, and updates its state based on the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench-Chem (57 enzyme-kinetics domains) and ActiveSciBench-GRN (45 gene-regulatory-network tasks), benchmarks that model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy and 31.1% exact graph recovery, respectively. Moreover, hypothesis-guided experimentation is 2x--5x more sample-efficient than the strongest competing baselines.

Poster