new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Aug 21

AutoLLMResearch: Training Research Agents for Automating LLM Experiment Configuration -- Learning from Cheap, Optimizing Expensive

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.

PhotoFlow: Agentic 3D Virtual Photography Missions

Virtual photography asks an agent to enter a prepared 3D scene with no preselected camera pose or reference image, infer a suitable shot from scene information and a language intent, choose executable camera parameters, and render the final photograph. Recent progress in vision-language models makes this kind of spatial agent increasingly plausible, but the task stresses two capabilities that remain hard to evaluate together: complex 3D spatial understanding and abstract aesthetic judgment. We introduce PhotoFlow, a Director-Reviewer-Reflector agent for closed-loop camera search. The Director builds a soft photographic blueprint and proposes diverse candidate cameras; the Reviewer combines rule checks, visual critique, and pairwise incumbent selection; and the Reflector converts failures into region memory, dead-zone suppression, and high-explore relocation. We also introduce VPhotoBench, a benchmark of 47 open-license Blender scenes and 141 language-conditioned photography missions spanning subject placement, relational composition, and atmosphere/style. On held-out experiments, PhotoFlow achieves the strongest external quality-alignment composite and success rate among one-shot prediction, single-chain reflection, anchor-bank selection, and random search under a six-round rendering budget. To our knowledge, this is the first work to make language-conditioned virtual photography in arbitrary Blender scenes an executable agent task, and our results show that an LLM-centered spatial agent can already produce strong photographs in a setting designed to challenge both 3D reasoning and aesthetic choice.

ChiroEcho: extending automated bat vocalisation classification beyond the learned taxonomy

Bats are key indicators of ecosystem health and are protected throughout Europe, making reliable population monitoring a conservation priority. Their cryptic nocturnal lifestyle makes passive acoustic monitoring essential, yet automated identification remains difficult as echolocation calls vary with behaviour and environment and overlap among species. We present a deep learning framework that jointly predicts species and genus and combines genus predictions with geographic species distributions at inference. When only one species of a predicted genus occurs in a region, the framework can resolve species absent from the learned taxonomy. This reframes geographic information as a means of extending, rather than constraining, a classifier's effective taxonomy. Using recordings spanning 35 European bat species, we evaluate closed-set classification, examine the instability of performance estimates for sparsely represented species, and conduct a controlled held-out proof-of-principle experiment. The rare-species analysis shows how limited evaluation data can obscure species-level performance, while the held-out experiment shows that genus predictions and location can recover labels unavailable to the species head. Geographic resolution extends operational coverage from 35 to 41 of the 48 native European bat species, increasing coverage from 73% to 85%. To our knowledge, this is the broadest operational coverage reported for automated European bat classification. More broadly, the bat framework provides proof of principle for resolving unseen fine-grained classes by combining coarse predictions with transparent external constraints.

  • 7 authors
·
Aug 17

2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision

Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties. However, accurately interpreting 2D NMR data remains labor-intensive and error-prone, requiring highly trained domain experts, especially for complex molecules. Machine Learning (ML) holds significant potential in 2D NMR analysis by learning molecular representations and recognizing complex patterns from data. However, progress has been limited by the lack of large-scale and high-quality annotated datasets. In this work, we introduce 2DNMRGym, the first annotated experimental dataset designed for ML-based molecular representation learning in 2D NMR. It includes over 22,000 HSQC spectra, along with the corresponding molecular graphs and SMILES strings. Uniquely, 2DNMRGym adopts a surrogate supervision setup: models are trained using algorithm-generated annotations derived from a previously validated method and evaluated on a held-out set of human-annotated gold-standard labels. This enables rigorous assessment of a model's ability to generalize from imperfect supervision to expert-level interpretation. We provide benchmark results using a series of 2D and 3D GNN and GNN transformer models, establishing a strong foundation for future work. 2DNMRGym supports scalable model training and introduces a chemically meaningful benchmark for evaluating atom-level molecular representations in NMR-guided structural tasks. Our data and code is open-source and available on Huggingface and Github.

  • 3 authors
·
May 16, 2025

TeX-1500: A Paired Real-World LWIR Hyperspectral Dataset and Benchmark for Temperature-Emissivity-Texture Decomposition

Temperature-emissivity-texture (TeX) decomposition seeks to recover object heat state, material spectral response, and visible-like geometric texture from long-wave infrared hyperspectral imaging (LWIR HSI). Existing TeX pipelines are mainly scene-specific inverse solvers, and the lack of paired LWIR HSI-TeX supervision has limited learning-based decomposition. To address this gap, we introduce TeX-1500, a large-scale paired LWIR HSI-TeX dataset and benchmark for supervised HSI-to-TeX decomposition. TeX-1500 contains 1,522 calibrated real-scene pairs from DARPA Invisible Headlights (DARPA IH) pushbroom imagery and our FTIR acquisitions, covering five locations, four seasons, diverse acquisition times, heterogeneous wavelength layouts, and two sensor families. Each sample stores a calibrated valid-band radiance cube, calibrated wavelength positions, and aligned temperature, emissivity, and texture supervision constructed through a consistent restoration and TeX-construction protocol. We further provide TeX-UNet, a simple wavelength-aware baseline that maps calibrated HSI bands and wavelength positions to TeX fields. Experiments on the held-out DARPA IH pushbroom scenes and zero-/few-shot transfer to FTIR scenes show that TeX-1500 provides usable paired supervision and a measurable benchmark for data-driven physical-property-centered thermal perception.

  • 6 authors
·
Jun 1

AHD Agent: Agentic Reinforcement Learning for Automatic Heuristic Design

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e., LLM-AHD), can autonomously discover high-performing heuristics. However, existing LLM-AHD frameworks typically treat LLMs as passive generators within fixed workflows, where the model generates heuristics from manually designed, limited context. Such context may fail to capture state-dependent information (e.g., specific failure modes), leading to inefficient trial-and-error exploration. To overcome these limitations, we propose AHD Agent, a novel tool-integrated, multi-turn framework that empowers LLMs to proactively decide whether to generate heuristics or invoke tools to retrieve targeted evidence from the solving environment. To effectively train such a dynamic decision-making agent, we introduce an agentic reinforcement learning (RL) system, which leverages a novel environment synthesis pipeline to optimize a compact model's generalizable AHD capabilities. Experiments across eight diverse domains, including four held-out tasks, demonstrate that our 4B-parameter agent matches or surpasses state-of-the-art baselines using much larger models, while requiring significantly fewer evaluations. Model and inference scaling analysis further reveals that AHD Agent offers an effective trajectory toward truly autonomous heuristic design.

  • 4 authors
·
May 8

RLVR Datasets and Where to Find Them: Tracing Data Lineage for Better Training Data

The proliferation of Reinforcement Learning from Verifiable Rewards (RLVR) datasets has exacerbated provenance collapse due to unclear lineage among existing datasets. To bridge this fragmented RLVR data landscape, we propose Atomic-source Tracing via Lineage-Aware Search (ATLAS), a systematic framework for tracing RLVR datasets back to their atomic sources, attributing over 99.7% of 1.45M instances to 20 atomic sources. Our analysis reveals that most RLVR datasets are variants of a small set of shared upstream sources, with few introducing genuinely new data, and many facing data contamination risks. These findings naturally motivate us to curate a new RLVR dataset, DAPO++, and to benchmark existing datasets from a lineage-aware perspective. To this end, we propose Source-level Counterfactual Attribution (SCA) as a guiding principle to curate a decontaminated training dataset with concentrated learning signals. Essentially, SCA measures a sample's marginal utility by comparing per-atomic-source RL checkpoints against a shared base model. Building upon these attribution signals, we further design a composite dataset quality score Q that strongly correlates with downstream RLVR performance. Experiments on Qwen3 series models verify that DAPO++ consistently improves performance on held-out benchmarks, while Q reliably predicts downstream RLVR training effectiveness. Our code and data is available at https://github.com/Celine-hxy/ATLAS.

  • 8 authors
·
May 25

Learning to Commit: Generating Organic Pull Requests via Online Repository Memory

Large language model (LLM)-based coding agents achieve impressive results on controlled benchmarks yet routinely produce pull requests that real maintainers reject. The root cause is not functional incorrectness but a lack of organicity: generated code ignores project-specific conventions, duplicates functionality already provided by internal APIs, and violates implicit architectural constraints accumulated over years of development. Simply exposing an agent to the latest repository snapshot is not enough: the snapshot reveals the final state of the codebase, but not the repository-specific change patterns by which that state was reached. We introduce Learning to Commit, a framework that closes this gap through Online Repository Memory. Given a repository with a strict chronological split, the agent performs supervised contrastive reflection on earlier commits: it blindly attempts to resolve each historical issue, compares its prediction against the oracle diff, and distils the gap into a continuously growing set of skills-reusable patterns capturing coding style, internal API usage, and architectural invariants. When a new PR description arrives, the agent conditions its generation on these accumulated skills, producing changes grounded in the project's own evolution rather than generic pretraining priors. Evaluation is conducted on genuinely future, merged pull requests that could not have been seen during the skill-building phase, and spans multiple dimensions including functional correctness, code-style consistency, internal API reuse rate, and modified-region plausibility. Experiments on an expert-maintained repository with rich commit history show that Online Repository Memory effectively improves organicity scores on held-out future tasks.

  • 5 authors
·
Mar 27 2

Glider: Global and Local Instruction-Driven Expert Router

The availability of performant pre-trained models has led to a proliferation of fine-tuned expert models that are specialized to particular domains. This has enabled the creation of powerful and adaptive routing-based "Model MoErging" methods with the goal of using expert modules to create an aggregate system with improved performance or generalization. However, existing MoErging methods often prioritize generalization to unseen tasks at the expense of performance on held-in tasks, which limits its practical applicability in real-world deployment scenarios. We observe that current token-level routing mechanisms neglect the global semantic context of the input task. This token-wise independence hinders effective expert selection for held-in tasks, as routing decisions fail to incorporate the semantic properties of the task. To address this, we propose, Global and Local Instruction Driven Expert Router (GLIDER) that integrates a multi-scale routing mechanism, encompassing a semantic global router and a learned local router. The global router leverages LLM's advanced reasoning capabilities for semantic-related contexts to enhance expert selection. Given the input query and LLM, the router generates semantic task instructions that guide the retrieval of the most relevant experts across all layers. This global guidance is complemented by a local router that facilitates token-level routing decisions within each module, enabling finer control and enhanced performance on unseen tasks. Our experiments using T5-based models for T0 and FLAN tasks demonstrate that GLIDER achieves substantially improved held-in performance while maintaining strong generalization on held-out tasks. We also perform ablations experiments to dive deeper into the components of GLIDER. Our experiments highlight the importance of our multi-scale routing that leverages LLM-driven semantic reasoning for MoErging methods.

  • 7 authors
·
Oct 9, 2024

Randomness, Not Representation: The Unreliability of Evaluating Cultural Alignment in LLMs

Research on the 'cultural alignment' of Large Language Models (LLMs) has emerged in response to growing interest in understanding representation across diverse stakeholders. Current approaches to evaluating cultural alignment borrow social science methodologies but often overlook systematic robustness checks. Here, we identify and test three assumptions behind current evaluation methods: (1) Stability: that cultural alignment is a property of LLMs rather than an artifact of evaluation design, (2) Extrapolability: that alignment with one culture on a narrow set of issues predicts alignment with that culture on others, and (3) Steerability: that LLMs can be reliably prompted to represent specific cultural perspectives. Through experiments examining both explicit and implicit preferences of leading LLMs, we find a high level of instability across presentation formats, incoherence between evaluated versus held-out cultural dimensions, and erratic behavior under prompt steering. We show that these inconsistencies can cause the results of an evaluation to be very sensitive to minor variations in methodology. Finally, we demonstrate in a case study on evaluation design that narrow experiments and a selective assessment of evidence can be used to paint an incomplete picture of LLMs' cultural alignment properties. Overall, these results highlight significant limitations of current approaches for evaluating the cultural alignment of LLMs.

  • 3 authors
·
Mar 11, 2025

Zero-shot Audio Source Separation through Query-based Learning from Weakly-labeled Data

Deep learning techniques for separating audio into different sound sources face several challenges. Standard architectures require training separate models for different types of audio sources. Although some universal separators employ a single model to target multiple sources, they have difficulty generalizing to unseen sources. In this paper, we propose a three-component pipeline to train a universal audio source separator from a large, but weakly-labeled dataset: AudioSet. First, we propose a transformer-based sound event detection system for processing weakly-labeled training data. Second, we devise a query-based audio separation model that leverages this data for model training. Third, we design a latent embedding processor to encode queries that specify audio targets for separation, allowing for zero-shot generalization. Our approach uses a single model for source separation of multiple sound types, and relies solely on weakly-labeled data for training. In addition, the proposed audio separator can be used in a zero-shot setting, learning to separate types of audio sources that were never seen in training. To evaluate the separation performance, we test our model on MUSDB18, while training on the disjoint AudioSet. We further verify the zero-shot performance by conducting another experiment on audio source types that are held-out from training. The model achieves comparable Source-to-Distortion Ratio (SDR) performance to current supervised models in both cases.

  • 6 authors
·
Dec 15, 2021

Layer-Targeted Multilingual Knowledge Erasure in Large Language Models

Recent work has demonstrated that machine unlearning in Large Language Models (LLMs) fails to generalize across languages: knowledge erased in one language frequently remains accessible through others. However, the underlying cause of this failure and a principled solution remain open. In this work, we identify intervention depth as the key factor determining multilingual generalization. Through systematic layer-wise experiments, we characterize two distinct failure modes: shallow-layer interventions achieve erasure but collapse multilingual capabilities in held-out languages, while deep-layer interventions preserve utility but fail to erase target knowledge even in source languages. These findings reveal that the choice of intervention layer is not a free parameter; it fundamentally determines whether multilingual unlearning succeeds. We propose MUTE (Multilingual Unlearning via Targeted Erasure), a framework that uses Centered Kernel Alignment (CKA) and Linguistic Regions Development Score (LRDS) to identify intermediate, language-agnostic layers where cross-lingual representations converge. By restricting unlearning updates to these layers, MUTE achieves robust multilingual knowledge erasure while optimizing on only a small set of source languages. Extensive experiments across three LLM architectures and three unlearning algorithms validate our approach, with mechanistic analysis via Logit Lens probing confirming genuine knowledge removal rather than output-level suppression.

  • 3 authors
·
Feb 25

Beyond Hard Writes and Rigid Preservation: Soft Recursive Least-Squares for Lifelong LLM Editing

Model editing updates a pre-trained LLM with new facts or rules without re-training, while preserving unrelated behavior. In real deployment, edits arrive as long streams, and existing editors often face a plasticity-stability dilemma: locate-then-edit "hard writes" can accumulate interference over time, while null-space-style "hard preservation" preserves only what is explicitly constrained, so past edits can be overwritten and unconstrained behaviors may deviate, degrading general capabilities in the many-edits regime. We propose RLSEdit, a recursive least-squares editor for long sequential editing. RLSEdit formulates editing as an online quadratic optimization with soft constraints, minimizing a cumulative key-value fitting objective with two regularizers that control for both deviation from the pre-trained weights and from a designated anchor mapping. The resulting update admits an efficient online recursion via the Woodbury identity, with per-edit cost independent of history length and scaling only with the current edit size. We further provide deviation bounds and an asymptotic characterization of the adherence-preservation trade-off in the many-edits regime. Experiments on multiple model families demonstrate stable scaling to 10K edits, outperforming strong baselines in both edit success and holistic stability -- crucially retaining early edits, and preserving general capabilities on GLUE and held-out reasoning/code benchmarks.

  • 7 authors
·
Jan 22

Cost-Efficient Estimation of General Abilities Across Benchmarks

Thousands of diverse benchmarks have been developed to measure the quality of large language models (LLMs). Yet prior work has demonstrated that LLM performance is often sufficiently explained by a small set of latent factors, or abilities. This suggests the potential for more efficient and principled benchmarking, but it remains difficult to compare the quality of different methods. Motivated by predictive validity, we argue that the quality of a benchmarking framework should be grounded in how efficiently it enables the prediction of model performance on unseen tasks. To analyze this objective, we collect the "Wide-scale Item Level Dataset" (WILD), a dataset of item-model response pairs, comprising evaluations of 65 models on 109,564 unique items spanning 163 tasks drawn from 27 datasets. This dataset enables the first analysis of how different techniques can predict a model's performance on a large, diverse collection of unseen tasks under different budget constraints. We demonstrate that combining a modified multidimensional item response theory (IRT) model with adaptive item selection driven by optimal experimental design can predict performance on 112 held-out benchmark tasks with a mean absolute error (MAE) of less than 7%, and can do so after observing only 16 items. We further demonstrate that incorporating cost-aware discount factors into our selection criteria can reduce the total tokens needed to reach 7% MAE from 141,000 tokens to only 22,000, an 85% reduction in evaluation cost.

  • 5 authors
·
Mar 31

From Residuals to Reasons: LLM-Guided Mechanism Inference from Tabular Data

A persistent challenge in machine learning for scientific applications is jointly achieving prediction and understanding. Statistical models excel on structured data but operate as black boxes, while existing interpretability methods are largely inspective: they answer "which features matter?" but do not articulate how features interact or refine explanations iteratively alongside human understanding. Asking an LLM to predict the target directly forces it to search the entire output space; we instead anchor predictions with a base model and ask the LLM the narrower question of what that model is missing. We introduce Multi-Agent Residual In-Context Learning (MARICL), an agentic framework in which LLM agents analyze where a base-model fails, hypothesize missing structure from high-residual examples provided in context, and produce explicit correction terms refined through multi-turn textual gradient optimization. Across nine benchmarks spanning scientific, biomedical, socioeconomic, and synthetic settings, MARICL improves consistently over its base model on all datasets. To test whether these corrections reflect real structure or batch-specific noise, we freeze formulas learned on one experimental batch of the Cell-Free Protein dataset and apply them (with no retraining and no further LLM calls) to held-out batches. Within the same reagent protocol, the frozen formulas improve predictions in over 92% of cases; across a different protocol, they fail systematically. The success boundary aligns with the biochemistry, not the batch count; direct evidence of mechanistic generalization.

  • 2 authors
·
May 20 1

Generalization in Adaptive Data Analysis and Holdout Reuse

Overfitting is the bane of data analysts, even when data are plentiful. Formal approaches to understanding this problem focus on statistical inference and generalization of individual analysis procedures. Yet the practice of data analysis is an inherently interactive and adaptive process: new analyses and hypotheses are proposed after seeing the results of previous ones, parameters are tuned on the basis of obtained results, and datasets are shared and reused. An investigation of this gap has recently been initiated by the authors in (Dwork et al., 2014), where we focused on the problem of estimating expectations of adaptively chosen functions. In this paper, we give a simple and practical method for reusing a holdout (or testing) set to validate the accuracy of hypotheses produced by a learning algorithm operating on a training set. Reusing a holdout set adaptively multiple times can easily lead to overfitting to the holdout set itself. We give an algorithm that enables the validation of a large number of adaptively chosen hypotheses, while provably avoiding overfitting. We illustrate the advantages of our algorithm over the standard use of the holdout set via a simple synthetic experiment. We also formalize and address the general problem of data reuse in adaptive data analysis. We show how the differential-privacy based approach given in (Dwork et al., 2014) is applicable much more broadly to adaptive data analysis. We then show that a simple approach based on description length can also be used to give guarantees of statistical validity in adaptive settings. Finally, we demonstrate that these incomparable approaches can be unified via the notion of approximate max-information that we introduce.

  • 6 authors
·
Sep 24, 2015