Large Language

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36 papers in the last 28 days · 0.6% of indexed attention

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Period ending 2026-09-21

16 new papers

A weekly snapshot of new work published in Large Language.

Period ending 2026-09-14

4 new papers

A weekly snapshot of new work published in Large Language.

Period ending 2026-09-07

14 new papers

A weekly snapshot of new work published in Large Language.

417 papers

Latest in Large Language

Apr 19, 2026cs.AI

STRIDE: Strategic Iterative Decision-Making for Retrieval-Augmented Multi-Hop Question Answering

Multi-hop question answering (MHQA) enables accurate answers to complex queries by retrieving and reasoning over evidence dispersed across multiple documents. Existing MHQA approaches mainly rely on iterative retrieval-augmented generation, which suffer from the following two major issues. 1) Existing methods prematurely commit to surface-level entities rather than underlying reasoning structures, making question decomposition highly vulnerable to lexical ambiguity. 2) Existing methods overlook the logical dependencies among reasoning steps, resulting in uncoordinated execution. To address these issues, we propose STRIDE, a framework that separates strategic planning, dynamic control, and grounded execution. At its core, a Meta-Planner first constructs an entity-agnostic reasoning skeleton to capture the abstract logic of the query, thereby deferring entity grounding until after the reasoning structure is established, which mitigates disambiguation errors caused by premature lexical commitment. A Supervisor then orchestrates sub-question execution in a dependency-aware manner, enabling efficient parallelization where possible and sequential coordination when necessary. By dynamically deciding whether to retrieve new evidence or infer from existing facts, it avoids redundant queries and error propagation, while fusing cross-branch information and reformulating failed queries to enhance robustness. Grounded fact extraction and logical inference are delegated to specialized execution modules, ensuring faithfulness through explicit separation of retrieval and reasoning. We further propose STRIDE-FT, a modular fine-tuning framework that uses self-generated execution trajectories from STRIDE, requiring neither human annotations nor stronger teacher models. Experiments show that STRIDE achieves robust and accurate reasoning, while STRIDE-FT effectively enhances open-source LLMs.
Wei Chen, Lili Zhao, Zhi Zheng +2
Apr 18, 2026cs.CR

Systematic Capability Benchmarking of Frontier Large Language Models for Offensive Cyber Tasks

We present, to our knowledge, the most comprehensive cross-model evaluation of LLM agents on offensive cybersecurity tasks, benchmarking 10 frontier models from 7 providers on all 200 challenges of the NYU CTF Bench. Building on the D-CIPHER multi-agent framework, we extend it with multi-provider backend support, a custom Kali Linux environment with over 100 pre-installed penetration testing tools, and runtime tool-discovery agents. Through a controlled factorial study, we find that the Kali Linux environment yields a +9.5 percentage-point improvement over Ubuntu, while auto-prompting and category-specific tips often degrade performance in well-equipped environments. Among models, Claude 4.5 Opus achieves the highest solve rate (59%), followed by Gemini 3 Pro (52%), with Gemini 3 Flash offering the best cost-efficiency at $0.05 per solve. Asymmetric planner/executor model assignments provide no meaningful benefit while coherent same-model configurations consistently outperform mixed-tier pairings. Our results indicate that environment tooling and model selection emerge as the strongest drivers of performance, whereas prompt engineering interventions show diminishing or negative returns in well-equipped environments. Reported performance reflects both model reasoning ability and compatibility with agent tooling and API integration.
Tyler H. Merves, Michael H. Conaway, Joseph M. Escobar +2
Apr 18, 2026cs.AR

Configuration Over Selection: Hyperparameter Sensitivity Exceeds Model Differences in Open-Source LLMs for RTL Generation

Benchmarking of open-source LLMs for hardware design focuses on which LLMs to use, while treating inference-time decoding configuration as a secondary concern. This work shows that it matters more how an LLM is configured than which model is selected. Benchmarking 26 open-source LLMs on VerilogEval and RTLLM with synthesis-in-the-loop evaluation, the study first maps the current capability landscape and then conducts an extensive 108-configuration hyperparameter sweep on three prominent models. The sweep reveals absolute pass-rate gaps of up to 25.5% between the best and worst settings for the same LLM, which is 5x larger than the average spread observed across various model families under their respective default configurations. Ranking all configurations by Spearman's ρρ across the two benchmark suites yields near-zero correlation, demonstrating that optimal configurations do not transfer. These results show that benchmarking conducted under default hyperparameters confounds model capabilities with configuration effects. Realizing the full potential of open-source LLMs for RTL generation requires architecture and benchmark aware hyperparameter selection, as enabled by the proposed methodology.
Minghao Shao, Zeng Wang, Weimin Fu +5
Apr 18, 2026cs.IR

RLM-on-KG: Heuristics First, LLMs When Needed: Adaptive Retrieval Control over Mention Graphs for Scattered Evidence

When does an LLM controller outperform rule-based traversal for knowledge graph exploration? We study this question through RLM-on-KG, a retrieval system that treats an LLM as an autonomous navigator over an RDF-encoded mention graph for grounded question answering. Unlike GraphRAG pipelines that rely on offline LLM indexing, RLM-on-KG performs entity-first, multi-hop exploration at query time using deterministic graph construction and a fixed tool set. Our central finding is a conditional advantage: the value of LLM control depends on evidence scatter and tool-calling sophistication. The paper's core claim is LLM control versus heuristic traversal, not a generic win over GraphRAG. On GraphRAG-Bench Novel (519 questions), Gemini 2.0 Flash achieves +2.47 pp F1 over a rule-based heuristic baseline (p < 0.0001), but only +0.16 pp over a GraphRAG-local variant (not significant). With a stronger controller, Claude Haiku 4.5, the gain over heuristic grows to +4.37 pp (p < 0.001) and extends to a +2.42 pp significant improvement over GraphRAG-local (p < 0.001). The gain is largest when gold evidence is scattered across 6-10 chunks (+3.21 pp) and smallest for concentrated evidence (+1.85 pp). Cross-scale validation on MuSiQue confirms that the LLM-over-heuristic advantage transfers, with expected attenuation on smaller per-question graphs. The core architectural insight is the separation of candidate discovery from ranking: the LLM adds value through exploration breadth, while final evidence selection is best handled by pure vector re-ranking. Beyond retrieval, exploration traces provide a proposed stress-test harness for structured data quality, yielding diagnostics for coverage, connectivity, provenance, and queryability.
Andrea Volpini, Elie Raad
Apr 18, 2026cs.LG

D-QRELO: Training- and Data-Free Delta Compression for Large Language Models via Quantization and Residual Low-Rank Approximation

Supervised Fine-Tuning (SFT) accelerates taskspecific large language models (LLMs) development, but the resulting proliferation of finetuned models incurs substantial memory overhead. Delta compression addresses this by retaining a single pre-trained LLM with multiple compressed delta weights. However, existing methods fail on models fine-tuned with largescale datasets. We find that larger SFT data scale amplifies delta parameter magnitude, singular values, and entropy, exacerbating compression errors. To tackle this, we propose DQRELO (Delta Compression via Quantization and Residual Low-Rank), a novel training- and data-free delta compression method. It combines coarse-grained one-bit quantization to capture the dominant structure of the delta, followed by compensated residual low-rank approximation to recover fine-grained details from the smaller residual error. Experiments on various LLMs spanning dense and MoE architectures across multiple domains under this challenging setting demonstrate that DQRELO outperforms existing methods. Moreover, we establish key design principles for delta compression through extensive empirical analysis, demonstrating how task difficulty, architecture, and layer positioning create predictable patterns that can guide optimal compression strategies in production systems.
Junlin Li, Shuangyong Song, Guodong Du +6
Apr 18, 2026cs.LG

SinkRouter: Sink-Aware Routing for Efficient Long-Context Decoding in Large Language and Multimodal Models

In long-context decoding for LLMs and LMMs, attention becomes increasingly memory-bound because each decoding step must load a large amount of KV-cache data from GPU memory. Existing acceleration strategies often trade efficiency for accuracy by relying on heuristic pruning that may discard useful information. At a deeper level, they also tend to indiscriminately preserve all high-scoring tokens, treat early tokens as indispensable anchors, or rely on heuristic head routing, reflecting an insufficient mechanistic understanding of the attention sink phenomenon. In this paper, we show that the attention sink phenomenon corresponds to a stable, reachable, and error-controllable fixed point constructed during training. Based on this insight, we propose SinkRouter, a training-free selective routing framework that detects the sink signal and skips computations that would otherwise produce near-zero output. To translate this mechanism into real-world acceleration, we develop a hardware-aware Triton kernel with block-level branching and Split-K parallelism. We conduct extensive evaluations on a diverse suite of long-context benchmarks, including LongBench, InfiniteBench, CVBench, MileBench, and MMVP, using both text-only and multimodal backbones such as Llama-3.1-8B, Llama-3.1-70B, Yi-9B-200K, LLaVA-1.5-7B, and LLaVA-1.5-13B. Across these settings, SinkRouter consistently improves decoding efficiency while maintaining competitive accuracy, and reaches 2.03x speedup with a 512K context.
Junnan Liu, Xinyan Liu, Peifeng Gao +4
Apr 18, 2026cs.CL

DART: Mitigating Harm Drift in Difference-Aware LLMs via Distill-Audit-Repair Training

Large language models (LLMs) tuned for safety often avoid acknowledging demographic differences, even when such acknowledgment is factually correct (e.g., ancestry-based disease incidence) or contextually justified (e.g., religious hiring preferences). This identity-blindness yields incorrect responses, unnecessary refusals, or generic "equal-treatment" defaults. We study this via difference-awareness classification: given a question involving demographic groups, the task is not to answer directly, but to classify whether a correct answer requires recognizing group differences (yes) or whether groups should be treated identically (no). Crucially, fine-tuning for accuracy triggers harm drift: model-generated explanations become increasingly harmful as decision accuracy improves, whether by elaborating harmful content, introducing problematic assumptions, or failing to flag harms the baseline identified. To mitigate this, we introduce DART (Distill--Audit--Repair Training), which distills label-conditioned reasoning from a teacher, audits outputs for harm drift cases relative to baseline, and repairs problematic cases via severity-weighted fine-tuning. On eight benchmarks, DART improves Llama-3-8B-Instruct accuracy from 39.0% to 68.8%, with largest gains on equal-treatment prompts (11.3% -> 72.6%), while reducing harm drift cases by 72.6%. It also transfers to 280 open-ended real-world queries across medical, legal, policy, and educational domains, improving difference-appropriate responses from 39.8% to 77.5% while reducing refusals from 34.3% to 3.0%. Our results demonstrate that accuracy and safety need not conflict when explicit detection and repair mechanisms are in place.
Ziwen Pan, Zihan Liang, Jad Kabbara +1
Apr 17, 2026cs.CV

Reducing Peak Memory Usage for Modern Multimodal Large Language Model Pipelines

Multimodal large language models (MLLMs) have recently demonstrated strong capabilities in understanding and generating responses from diverse visual inputs, including high-resolution images and long video sequences. As these models scale to richer visual representations, inference increasingly relies on storing large numbers of vision tokens in the key-value (KV) cache, making memory consumption a central bottleneck. Existing methods address this issue by identifying redundancy in vision tokens and compressing the cache, but such compression is typically applied only after all inputs are processed, resulting in high peak memory usage during the prefill stage. In this work, we show that MLLMs exhibit inherent structural regularities and representational redundancy that can be exploited to control memory growth throughout inference. Based on this insight, we propose a sequential input-compression mechanism that enforces a fixed memory budget by performing structure-aware key-value cache compression during the prefill process. This approach substantially reduces peak memory usage while maintaining generative performance with only minimal degradation, enabling more practical and memory-efficient multimodal inference.
Junwan Kim, Hyunkyung Bae
Apr 17, 2026cs.CV

Agentic Large Language Models for Training-Free Neuro-Radiological Image Analysis

State-of-the-art large language models (LLMs) show high performance in general visual question answering. However, a fundamental limitation remains: current architectures lack the native 3D spatial reasoning required to directly analyze volumetric medical imaging, such as CT or MRI. Emerging agentic AI offers a new solution, eliminating the need for intrinsic 3D processing by enabling LLMs to orchestrate and leverage specialized external tools. Yet, the feasibility of such agentic frameworks in complex, multi-step radiological workflows remains underexplored. In this work, we present a training-free agentic pipeline for automated brain MRI analysis. Validating our methodology on several LLMs (GPT-5.4, Gemini 3.1 Pro, Claude Sonnet 4.6) with off-the-shelf domain-specific tools, our system autonomously executes complex end-to-end workflows, including preprocessing (skull stripping, registration), pathology segmentation (glioma, meningioma, metastases), and volumetric reasoning. We evaluate our framework across increasingly complex radiological tasks, from single-scan tumor and anatomy analysis to longitudinal response assessment requiring multi-timepoint comparisons. We analyze the impact of architectural design by comparing single-agent models against multi-agent "domain-expert" collaborations. To support rigorous evaluation of future agentic systems, we release a benchmark dataset of image-prompt-answer tuples derived from public data. Our results demonstrate that agentic AI can solve highly neuro-radiological image analysis tasks through tool use without the need for training or fine-tuning.
Ayhan Can Erdur, Daniel Scholz, Jiazhen Pan +3
Apr 17, 2026cs.LG

FedLLM: A Privacy-Preserving Federated Large Language Model for Explainable Traffic Flow Prediction

Traffic prediction plays a central role in intelligent transportation systems (ITS) by supporting real-time decision-making, congestion management, and long-term planning. However, many existing approaches face practical limitations. Most spatio-temporal models are trained on centralized data, rely on numerical representations, and offer limited explainability. Recent Large Language Model (LLM) methods improve reasoning capabilities but typically assume centralized data availability and do not fully capture the distributed and heterogeneous nature of real-world traffic systems. To address these challenges, this study proposes FedLLM (Federated LLM), a privacy-preserving and distributed framework for explainable multi-horizon short-term traffic flow prediction (15-60 minutes). The framework introduces four key contributions: 1) a Composite Selection Score (CSS) for data-driven freeway selection that captures structural diversity across traffic regions 2) a domain-adapted LLM fine-tuned on structured traffic prompts encoding spatial, temporal, and statistical context 3) FedLLM framework, that enables collaborative training across heterogeneous clients while exchanging only lightweight LoRA adapter parameters, 4) a structured prompt representation that supports contextual reasoning and cross-region generalization. The FedLLM design allows each client to learn from local traffic patterns while contributing to a shared global model through efficient parameter exchange, reducing communication overhead and keeping data private. This setup supports learning under non-IID traffic distributions. Experimental results show that FedLLM achieves improved predictive performance over centralized baselines, while producing structured and explainable outputs. These findings highlight the potential of combining FL with domain-adapted LLMs for scalable, privacy-aware, and explainable traffic prediction.
Seerat Kaur, Sukhjit Singh Sehra, Dariush Ebrahimi
Apr 17, 2026cs.CL

Can LLMs Understand the Impact of Trauma? Costs and Benefits of LLMs Coding the Interviews of Firearm Violence Survivors

Firearm violence is a pressing public health issue, yet research into survivors' lived experiences remains underfunded and difficult to scale. Qualitative research, including in-depth interviews, is a valuable tool for understanding the personal and societal consequences of community firearm violence and designing effective interventions. However, manually analyzing these narratives through thematic analysis and inductive coding is time-consuming and labor-intensive. Recent advancements in large language models (LLMs) have opened the door to automating this process, though concerns remain about whether these models can accurately and ethically capture the experiences of vulnerable populations. In this study, we assess the use of open-source LLMs to inductively code interviews with 21 Black men who have survived community firearm violence. Our results demonstrate that while some configurations of LLMs can identify important codes, overall relevance remains low and is highly sensitive to data processing. Furthermore, LLM guardrails lead to substantial narrative erasure. These findings highlight both the potential and limitations of LLM-assisted qualitative coding and underscore the ethical challenges of applying AI in research involving marginalized communities.
Jessica H. Zhu, Shayla Stringfield, Vahe Zaprosyan +3
Apr 17, 2026cs.CV

From Articles to Canopies: Knowledge-Driven Pseudo-Labelling for Tree Species Classification using LLM Experts

Hyperspectral tree species classification is challenging due to limited and imbalanced class labels, spectral mixing (overlapping light signatures from multiple species), and ecological heterogeneity (variability among ecological systems). Addressing these challenges requires methods that integrate biological and structural characteristics of vegetation, such as canopy architecture and interspecific interactions, rather than relying solely on spectral signatures. This paper presents a biologically informed, semi-supervised deep learning method that integrates multi-sensor Earth observation data, specifically hyperspectral imaging (HSI) and airborne laser scanning (ALS), with expert, ecological knowledge. The approach relies on biologically inspired pseudo-labelling over a precomputed canopy graph, yielding accurate classification at low training cost. In addition, ecological priors on species cohabitation are automatically derived from reliable sources using large language models (LLMs) and encoded as a cohabitation matrix with likelihoods of species occurring together. These priors are incorporated into the pseudo-labelling strategy, effectively introducing expert knowledge into the model. Experiments on a real-world forest dataset demonstrate 5.6% improvement over the best reference method. Expert evaluation of cohabitation priors reveals high accuracy with differences no larger than 15%.
Michał Romaszewski, Dominik Kopeć, Michał Cholewa +6
Apr 17, 2026cs.CL

FD-NL2SQL: Feedback-Driven Clinical NL2SQL that Improves with Use

Clinicians exploring oncology trial repositories often need ad-hoc, multi-constraint queries over biomarkers, endpoints, interventions, and time, yet writing SQL requires schema expertise. We demo FD-NL2SQL, a feedback-driven clinical NL2SQL assistant for SQLite-based oncology databases. Given a natural-language question, a schema-aware LLM decomposes it into predicate-level sub-questions, retrieves semantically similar expert-verified NL2SQL exemplars via sentence embeddings, and synthesizes executable SQL conditioned on the decomposition, retrieved exemplars, and schema, with post-processing validity checks. To improve with use, FD-NL2SQL incorporates two update signals: (i) clinician edits of generated SQL are approved and added to the exemplar bank; and (ii) lightweight logic-based SQL augmentation applies a single atomic mutation (e.g., operator or column change), retaining variants only if they return non-empty results. A second LLM generates the corresponding natural-language question and predicate decomposition for accepted variants, automatically expanding the exemplar bank without additional annotation. The demo interface exposes decomposition, retrieval, synthesis, and execution results to support interactive refinement and continuous improvement.
Suparno Roy Chowdhury, Tejas Anvekar, Manan Roy Choudhury +5
Apr 16, 2026cs.CY

LLMbench: A Comparative Close Reading Workbench for Large Language Models

LLMbench is a browser-based workbench for the comparative close reading of large language model (LLM) outputs. Where existing tools for LLM comparison, such as Google PAIR's LLM Comparator are engineered for quantitative evaluation and user-rating metrics, LLMbench is oriented towards the hermeneutic practices of the digital humanities. Two model responses to the same prompt are side by side in annotatable panels with four analytical overlays (Probabilities for token-level log-probability inspection, Differences for word-level diff across the two panels, Tone for Hyland-style metadiscourse analysis, and Structure for sentence-level parsing with discourse connective highlighting), alongside five analytical modes, Stochastic Variation, Temperature Gradient, Prompt Sensitivity, Token Probabilities, and Cross-Model Divergence, that make the probabilistic structure of generated text legible at the token level. The tool treats the generated text as a research object in its own right from a probability distribution, a text that could have been otherwise, and provides visualisations including continuous heatmaps, entropy sparklines, pixel maps, and three-dimensional probability terrains, that show the counterfactual history from which each word emerged. This paper describes the tool's architecture, its six modes, and its design rationale, and argues that log-probability data, currently underused in humanistic and social-scientific readings of AI, is an important resource for a critical studies of generative AI models.
David M. Berry
Apr 16, 2026cs.LG

Evaluating LLM Simulators as Differentially Private Data Generators

LLM-based simulators offer a promising path for generating complex synthetic data where traditional differentially private (DP) methods struggle with high-dimensional user profiles. But can LLMs faithfully reproduce statistical distributions from DP-protected inputs? We evaluate this using PersonaLedger, an agentic financial simulator, seeded with DP synthetic personas derived from real user statistics. We find that PersonaLedger achieves promising fraud detection utility (AUC 0.70 at epsilon=1) but exhibits significant distribution drift due to systematic LLM biases--learned priors overriding input statistics for temporal and demographic features. These failure modes must be addressed before LLM-based methods can handle the richer user representations where they might otherwise excel.
Nassima M. Bouzid, Dehao Yuan, Nam H. Nguyen +1
Apr 16, 2026cs.CL

Blinded Multi-Rater Comparative Evaluation of a Large Language Model and Clinician-Authored Responses in CGM-Informed Diabetes Counseling

Continuous glucose monitoring (CGM) is central to diabetes care, but explaining CGM patterns clearly and empathetically remains time-intensive. Evidence for retrieval-grounded large language model (LLM) systems in CGM-informed counseling remains limited. To evaluate whether a retrieval-grounded LLM-based conversational agent (CA) could support patient understanding of CGM data and preparation for routine diabetes consultations. We developed a retrieval-grounded LLM-based CA for CGM interpretation and diabetes counseling support. The system generated plain-language responses while avoiding individualized therapeutic advice. Twelve CGM-informed cases were constructed from publicly available datasets. Between Oct 2025 and Feb 2026, 6 senior UK diabetes clinicians each reviewed 2 assigned cases and answered 24 questions. In a blinded multi-rater evaluation, each CA-generated and clinician-authored response was independently rated by 3 clinicians on 6 quality dimensions. Safety flags and perceived source labels were also recorded. Primary analyses used linear mixed-effects models. A total of 288 unique responses (144 CA and 144 clinician) generated 864 ratings. The CA received higher quality scores than clinician responses (mean 4.37 vs 3.58), with an estimated mean difference of 0.782 points (95% CI 0.692-0.872; P<.001). The largest differences were for empathy (1.062, 95% CI 0.948-1.177) and actionability (0.992, 95% CI 0.877-1.106). Safety flag distributions were similar, with major concerns rare in both groups (3/432, 0.7% each). Retrieval-grounded LLM systems may have value as adjunct tools for CGM review, patient education, and preconsultation preparation. However, these findings do not support autonomous therapeutic decision-making or unsupervised real-world use.
Zhijun Guo, Alvina Lai, Emmanouil Korakas +6
Apr 16, 2026cs.AI

Discovering Novel LLM Experts via Task-Capability Coevolution

Frontier model developers aim to train models continually to possess emergent, diverse capabilities. To extend capabilities, the current pre-training and post-training paradigm requires manually starting training runs with static datasets or reward functions every time. Addressing this limitation, our work pursues the insight that open-endedness (via the coevolution of models and tasks) can discover models with increasingly novel skills in a single run. We introduce a new model development framework that extends coevolution to large language model (LLM) discovery, open-ended \textit{Assessment Coevolving with Diverse Capabilities} (AC/DC). AC/DC evolves both LLMs via model merging and natural language tasks via synthetic data generation. AC/DC discovers growing archives of LLMs that surpass the capabilities of larger LLMs while taking up less GPU memory. In particular, our LLM populations achieve a broader Coverage of expertise than other curated models or baselines on downstream benchmarks, without \textit{any} explicit benchmark optimization. Furthermore, AC/DC improves Coverage over time, continually innovates on tasks and models, and improves performance in multi-agent best-of-N selection. Our findings highlight the potential of coevolution as a means of discovering broader sets of capabilities from base LLMs. Overall, AC/DC brings us one step closer to a profoundly new paradigm of LLM development, where continual improvements to the diversity of model capabilities can be accelerated by leveraging existing models as stepping stones to increasingly powerful models.
Andrew Dai, Boris Meinardus, Ciaran Regan +2
Apr 13, 2026cs.CL

Robust Explanations for User Trust in Enterprise NLP Systems

Robust explanations are increasingly required for user trust in enterprise NLP, yet pre-deployment validation is difficult in the common case of black-box deployment (API-only access) where representation-based explainers are infeasible and existing studies provide limited guidance on whether explanations remain stable under real user noise, especially when organizations migrate from encoder classifiers to decoder LLMs. To close this gap, we propose a unified black-box robustness evaluation framework for token-level explanations based on leave-one-out occlusion, and operationalize explanation robustness with top-token flip rate under realistic perturbations (swap, deletion, shuffling, and back-translation) at multiple severity levels. Using this protocol, we conduct a systematic cross-architecture comparison across three benchmark datasets and six models spanning encoder and decoder families (BERT, RoBERTa, Qwen 7B/14B, Llama 8B/70B; 64,800 cases). We find that decoder LLMs produce substantially more stable explanations than encoder baselines (73% lower flip rates on average), and that stability improves with model scale (44% gain from 7B to 70B). Finally, we relate robustness improvements to inference cost, yielding a practical cost-robustness tradeoff curve that supports model and explanation selection prior to deployment in compliance-sensitive applications.
Guilin Zhang, Kai Zhao, Jeffrey Friedman +3
Apr 1, 2026cs.PL

Executing as You Generate: Hiding Execution Latency in LLM Code Interpreters

Current LLM systems are increasingly equipped with a code interpreter that executes generated code to obtain results. This works serially: the model first generates the complete code, then an interpreter executes it. This sequential workflow leaves the executor idle during generation and the generator idle during execution, resulting in unnecessary end-to-end latency. Our key observation is that an LLM, unlike a human developer, emits code tokens left to right and does not backtrack over what it has already written. This makes it possible to start executing a piece of code while later tokens are still being generated. We formalize this parallel execution paradigm, modeling it as a three-stage pipeline of generation, detection, and execution, and derive closed-form latency bounds that characterize its speedup potential and operating regimes. We then present EAGER, a concrete implementation featuring AST-based chunking, dynamic batching with gated execution, and early error interruption. We evaluate EAGER across four benchmarks, seven LLMs, and three execution environments. The overlap mechanism hides almost all execution behind generation, reducing the non-overlapped portion of execution time by up to 99.8% and cutting end-to-end latency by up to 37.3% on error-free runs.
Zhensu Sun, Zhihao Lin, Zhi Chen +4
Mar 29, 2026cs.CL

Over-Refusal and Representation Subspaces: A Mechanistic Analysis of Task-Conditioned Refusal in Aligned LLMs

Aligned language models that are trained to refuse harmful requests also exhibit over-refusal: they decline safe instructions that seemingly resemble harmful instructions. A natural approach is to ablate the global refusal direction, steering the hidden-state vectors away or towards the harmful-refusal examples, but this corrects over-refusal only incidentally while disrupting the broader refusal mechanism. In this work, we analyse the representational geometry of both refusal types to understand why this happens. We show that harmful-refusal directions are task-agnostic and can be captured by a single global vector, whereas over-refusal directions are task-dependent: they reside within the benign task-representation clusters, vary across tasks, and span a higher-dimensional subspace. Linear probing suggests that the two refusal types are representationally distinct from the early transformer layers. These findings provide a mechanistic explanation of why global direction ablation alone cannot address over-refusal, and establish that task-specific geometric interventions are necessary.
Utsav Maskey, Mark Dras, Usman Naseem
Mar 20, 2026cs.CL

Policies Permitting LLM Use for Polishing Peer Reviews Are Currently Not Enforceable

A number of scientific conferences and journals have recently enacted policies that prohibit LLM usage by peer reviewers, except for polishing, paraphrasing, and grammar correction of otherwise human-written reviews. But, are these policies enforceable? To answer this question, we assemble a dataset of peer reviews simulating multiple levels of human-AI collaboration, and evaluate five state-of-the-art detectors, including two commercial systems. Our analysis shows that all detectors misclassify a non-trivial fraction of LLM-polished reviews as AI-generated, thereby risking false accusations of academic misconduct. We further investigate whether peer-review-specific signals, including access to the paper manuscript and the constrained domain of scientific writing, can be leveraged to improve detection. While incorporating such signals yields measurable gains in some settings, we identify limitations in each approach and find that none meets the accuracy standards required for identifying AI use in peer reviews. Importantly, our results suggest that recent public estimates of AI use in peer reviews through the use of AI-text detectors should be interpreted with caution, as current detectors misclassify mixed reviews (collaborative human-AI outputs) as fully AI generated, potentially overstating the extent of policy violations.
Rounak Saha, Gurusha Juneja, Dayita Chaudhuri +3
Mar 13, 2026cs.SE

Design-Specification Tiling for ICL-based CAD Code Generation

Large language models~(LLMs) have demonstrated remarkable capabilities in code generation, yet their performance remains limited on domain-specific tasks such as Computer-Aided Design~(CAD) code generation, largely due to the scarcity of high-quality training data. In-Context Learning~(ICL) provides a training-free alternative by prompting LLMs with task-specific exemplars, but its effectiveness critically depends on how exemplars are selected. Existing selection strategies mainly rely on similarity or point-wise diversity, often overlooking the compositional nature of CAD design specifications, where a query may involve multiple functional requirements, geometric constraints, and design primitives. As a result, selected exemplars can be individually relevant but collectively redundant, providing insufficient coverage for complex design requirements. In this work, we propose \emph{knowledge sufficiency} as a principled objective for exemplar selection, aiming to select a compact set of exemplars that maximally satisfies the requirements contained in a target design specification. To instantiate this objective, we introduce \emph{Design-Specification Tiling~(DST)}, which estimates knowledge sufficiency through a surrogate tiling ratio by decomposing design specifications into multi-granular components and measuring the proportion of query components covered by selected exemplars. We further show that optimizing this objective can be formulated as a submodular maximization problem, and develop a polynomial-time greedy algorithm tailored to this setting with a (1−1/e)(1-1/e)-approximation guarantee. Extensive experiments across multiple LLMs demonstrate that DST substantially improves CAD code generation quality and consistently outperforms existing ICL exemplar selection strategies, highlighting the importance of requirement-level knowledge coverage for domain-specific code generation.
Yali Du, San-Zhuo Xi, Hui Sun +1
Mar 4, 2026cs.CL

ErrorLLM: Modeling SQL Errors for Text-to-SQL Refinement

Despite the remarkable performance of large language models (LLMs) in text-to-SQL (SQL generation), correctly producing SQL queries remains challenging during initial generation. The SQL refinement task is subsequently introduced to correct syntactic and semantic errors in generated SQL queries. However, existing paradigms face two major limitations: (i) self-debugging becomes increasingly ineffective as modern LLMs rarely produce explicit execution errors that can trigger debugging signals; (ii) self-correction exhibits low detection precision due to the lack of explicit error modeling grounded in the question and schema, and suffers from severe hallucination that frequently corrupts correct SQLs. In this paper, we propose ErrorLLM, a framework that explicitly models text-to-SQL Errors within a dedicated LLM for text-to-SQL refinement. Specifically, we represent the user question and database schema as structural features, employ static detection to identify execution failures and surface mismatches, and extend ErrorLLM's semantic space with dedicated error tokens that capture categorized implicit semantic error types. Through a well-designed training strategy, we explicitly model these errors with structural representations, enabling the LLM to detect complex implicit errors by predicting dedicated error tokens. Guided by the detected errors, we perform error-guided refinement on the SQL structure by prompting LLMs. Extensive experiments demonstrate that ErrorLLM achieves the most significant improvements over backbone initial generation. Further analysis reveals that detection quality directly determines refinement effectiveness, and ErrorLLM addresses both sides by high detection F1 score while maintain refinement effectiveness.
Zijin Hong, Hao Chen, Zheng Yuan +6
Mar 3, 2026cs.LG

ParEVO: Synthesizing Code for Irregular Data: High-Performance Parallelism through Agentic Evolution

The transition from sequential to parallel computing is essential for modern high-performance applications but is hindered by the steep learning curve of concurrent programming. This challenge is magnified for irregular data structures (such as sparse graphs, unbalanced trees, and non-uniform meshes) where static scheduling fails and data dependencies are unpredictable. Current Large Language Models (LLMs) often fail catastrophically on these tasks, generating code plagued by subtle race conditions, deadlocks, and sub-optimal scaling. We bridge this gap with ParEVO, a framework designed to synthesize high-performance parallel algorithms for irregular data. Our contributions include: (1) The Parlay-Instruct Corpus, a curated dataset of 13,820 tasks synthesized via a "Critic-Refine" pipeline that explicitly filters for empirically performant algorithms that effectively utilize Work-Span parallel primitives; (2) specialized DeepSeek, Qwen, and Gemini models fine-tuned to align probabilistic generation with the rigorous semantics of the ParlayLib library; and (3) an Evolutionary Coding Agent (ECA) that improves the "last mile" of correctness by iteratively repairing code using feedback from compilers, dynamic race detectors, and performance profilers. On the ParEval benchmark, ParEVO achieves an average 106x speedup (with a maximum of 1103x) across the suite, and a robust 13.6x speedup specifically on complex irregular graph problems, outperforming state-of-the-art commercial models. Furthermore, our evolutionary approach matches state-of-the-art expert human baselines, achieving up to a 4.1x speedup on specific highly-irregular kernels. Source code and datasets are available at https://github.com/WildAlg/ParEVO.
Liu Yang, Zeyu Nie, Andrew Liu +4
Feb 27, 2026cs.DC

Data Driven Optimization of GPU efficiency for Distributed LLM-Adapter Serving

Large Language Model (LLM) adapters enable low-cost model specialization, but introduce complex caching and scheduling challenges in distributed serving systems where hundreds of adapters must be hosted concurrently. While prior work has largely focused on latency and throughput optimization, minimizing GPU resource requirements through near-peak utilization remains largely underexplored. This paper presents a data-driven pipeline that, for a given workload, computes an adapter placement that serves the workload with the minimum number of GPUs while avoiding request starvation and GPU memory errors. To that end, the approach identifies the maximum feasible throughput attainable on each GPU by leveraging accurate performance predictions learned from real serving behavior. The proposed pipeline integrates three components: (i) a Digital Twin (DT) tailored to LLM-adapter serving, (ii) a distilled machine learning (ML) model trained on DT-generated data, and (iii) a greedy placement algorithm that exploits ML-based performance estimates to maximize GPU efficiency. The DT emulates real system dynamics with high fidelity, achieving below 5% throughput estimation error while executing up to 90x faster than full LLM benchmarking across both predictable and unpredictable workloads. The learned ML models further accelerate performance estimation with marginal accuracy degradation, enabling scalable optimization. Experimental results demonstrate that the pipeline substantially improves GPU efficiency, reducing the number of GPUs required to sustain target workloads by 60% on average across the evaluated scenarios. Beyond GPU efficiency, the pipeline can be adapted to alternative objectives, such as latency minimization, highlighting its versatility for future large-scale LLM serving infrastructures.
Ferran Agullo, Joan Oliveras, Chen Wang +5
Feb 2, 2026cs.CL

There Is More to Refusal in Large Language Models than a Single Direction

Prior work argues that refusal in large language models is mediated by a single direction, enabling steering and abliteration. We show that this account is incomplete: across diverse refusal and non-compliance categories, refusal behaviors correspond to geometrically distinct directions in activation space. Yet activation steering along any refusal-related direction produces nearly identical refusal--over-refusal trade-offs, acting as a shared one-dimensional control knob. Thus, different directions primarily affect not whether the model refuses, but how it refuses. Using sparse autoencoders, we uncover a structured internal representation of refusal: a reusable core of shared refusal latents supplemented by style- and domain-specific latents. Linear interventions collapse this structure into uniform behavioral control, flattening mechanistic differences across refusal types. Our results reconcile the apparent simplicity of refusal steering with the diversity of refusal behaviors, and clarify the limits of linear interpretability for aligned model behavior.
Faaiz Joad, Majd Hawasly, Sabri Boughorbel +2
Feb 2, 2026cs.LG

Learning to Route and Schedule LLMs from User Retrials via Contextual Queueing Bandits

Explosive demands for LLMs often cause user queries to accumulate in server queues, requiring efficient routing (query-LLM matching) and scheduling (query prioritization) mechanisms. Several online algorithms are being deployed, but they overlook the following two key challenges inherent to conversational LLM services: (1) unsatisfied users may retry queries, increasing the server backlog, and (2) requests for explicit" feedback, such as ratings, degrade user experiences. In this paper, we develop a joint routing and scheduling algorithm that leverages implicit" feedback inferred from user retrial behaviors. The key idea is to propose and study the framework of contextual queueing bandits with multinomial logit feedback (CQB-MNL). CQB-MNL models query retrials, as well as context-based learning for user preferences over LLMs. Our algorithm, anytime CQB (ACQB), achieves efficient learning while maintaining queue stability by combining Thompson sampling with forced exploration at a decaying rate. We show that ACQB simultaneously achieves a cumulative regret of O~(t)\widetilde{\mathcal{O}}(\sqrt{t}) for routing and a queue length regret of O~(t−1/4)\widetilde{\mathcal{O}}(t^{-1/4}) for any large tt. For experiments, we refine query embeddings via contrastive learning while adopting a disjoint parameter model to learn LLM-specific parameters. Experiments on synthetic data, offline routing datasets (SPROUT, EmbedLLM, and RouterBench), and real user conversation logs (WildChat-1M) confirm that our methods improve routing, scheduling, and queue stability against strong online and offline-trained baselines.
Seoungbin Bae, Junyoung Son, Dabeen Lee
Jan 30, 2026cs.NI

Toward Non-Expert Customized Congestion Control: Large Language Model-Assisted CCA Code Generation with eBPF Deployment

General-purpose congestion control algorithms (CCAs) are designed to achieve general congestion control goals, but they may not meet the specific requirements of certain users. Customized CCAs can meet certain users' specific requirements; however, non-expert users often lack the expertise to implement them. In this paper, we present an exploratory non-expert customized CCA framework, named NECC, which enables non-expert users to easily model, implement, and deploy their customized CCAs by leveraging Large Language Models and the Berkeley Packet Filter (BPF) interface. To the best of our knowledge, we are the first to address the customized CCA implementation problem. Our evaluations using real-world CCAs show that the performance of NECC is very promising, and we discuss the insights that we find and possible future research directions.
Mingrui Zhang, Hamid Bagheri, Lisong Xu
Jan 23, 2026cs.CL

Strategies for Span Labeling with Large Language Models

Large language models (LLMs) are increasingly used for text analysis tasks, such as named entity recognition or error detection. Unlike encoder-based models, however, generative architectures lack an explicit mechanism to refer to specific parts of their input. This leads to a variety of ad-hoc prompting strategies for span labeling, often with inconsistent results. In this paper, we categorize these strategies into three families: tagging the input text, indexing numerical positions of spans, and matching span content. To address the limitations of content matching, we introduce LogitMatch, a new constrained decoding method that forces the model's output to align with valid input spans. We evaluate all methods across four diverse tasks. We find that while tagging remains a robust baseline, LogitMatch improves upon competitive matching-based methods by eliminating span matching issues and outperforms other strategies in some setups.
Danil Semin, Ondřej Dušek, Zdeněk Kasner
Jan 20, 2026cs.SE

SWE-Tester: Training Open-Source LLMs for Issue Reproduction in Real-World Repositories

Software testing is crucial for ensuring the correctness and reliability of software systems. Automated generation of issue reproduction tests from natural language issue descriptions enhances developer productivity by simplifying root cause analysis, promotes test-driven development -- "test first, write code later", and can be used for improving the effectiveness of automated issue resolution systems like coding agents. Existing methods proposed for this task predominantly rely on closed-source LLMs, with limited exploration of open models. To address this, we propose SWE-Tester -- a novel pipeline for training open-source LLMs to generate issue reproduction tests. First, we curate a high-quality training dataset of 41K instances from 2.6K open-source GitHub repositories and use it to train LLMs of varying sizes and families. The fine-tuned models achieve absolute improvements of up to 10% in success rate and 21% in change coverage on SWT-Bench Verified. Further analysis shows consistent improvements with increased inference-time compute, more data, and larger models. These results highlight the effectiveness of our framework for advancing open-source LLMs in this domain.
Aditya Bharat Soni, Rajat Ghosh, Vaishnavi Bhargava +2
Jan 12, 2026cs.LG

ARCQuant: Boosting NVFP4 Quantization with Augmented Residual Channels for LLMs

The emergence of fine-grained numerical formats like NVFP4 presents new opportunities for efficient Large Language Model (LLM) inference. However, it is difficult to adapt existing Post-Training Quantization (PTQ) strategies to these formats: rotation-based methods compromise fine-grained block isolation; smoothing techniques struggle with significant 4-bit quantization errors; and mixed-precision approaches often conflict with hardware constraints on unified-precision computation. To address these challenges, we propose ARCQuant, a framework that boosts NVFP4 performance via Augmented Residual Channels. Distinct from methods that compromise block isolation or hardware uniformity, ARCQuant maintains a strictly unified NVFP4 format by augmenting the activation matrix with quantized residual channels. This design integrates the error compensation process directly into the matrix reduction dimension, enabling the use of standard, highly optimized GEMM kernels with minimal overhead. Theoretical analysis confirms that the worst-case error bound of our dual-stage NVFP4 quantization is comparable to that of standard 8-bit formats such as MXFP8. Extensive experiments on LLaMA and Qwen models demonstrate that ARCQuant achieves state-of-the-art accuracy, comparable to full-precision baselines in perplexity and downstream tasks. Furthermore, deployment on RTX 5090 and RTX PRO 6000 GPUs confirms practical benefits, achieving up to 3x speedup over FP16. Our code is available at https://github.com/actypedef/ARCQuant.
Haoqian Meng, Yilun Luo, Yafei Zhao +3
Jan 10, 2026cs.AI

Do Implicit Personalization and Explicit Styles Conflict? PsPLUG: A Lightweight Plug-in for Balancing Personalization and Style in Customized LLMs

Personalized large language models are often expected to follow explicit style instructions, yet we find that such instructions can undermine the user-specific characteristics that personalization methods aim to preserve. We call this failure mode personalization collapse: explicit style control can conflict with implicit user preferences. To address this challenge, we propose PsPLUG, a lightweight plug-in that learns a user-specific residual after accounting for the requested style. PsPLUG also allows us to tune personalization strength at inference time. Our experiments show that explicit style instructions can diminish personalization in existing methods, whereas PsPLUG better preserves user preferences while providing precise control over the balance between personalization and style adherence.
Yutong Song, Jiang Wu, Shaofan Yuan +5
Dec 10, 2025cs.CY

Enhancing Large Language Model-Based Systems for End-to-End Circuit Analysis Problem Solving

LLMs have shown strong performance in data-rich domains such as programming, but their reliability in engineering tasks remains limited. Circuit analysis is particularly challenging because it requires both multimodal understanding and precise mathematical reasoning. This paper presents an enhanced end-to-end circuit problem-solving framework using Gemini 2.5 Pro as the backbone model for scalable engineering-education applications. We systematically evaluate Gemini 2.5 Pro on undergraduate circuit-analysis problems and identify two major failure modes: circuit-recognition hallucinations, especially source-polarity errors, and reasoning-process hallucinations, such as incorrect current-direction assumptions. To reduce recognition errors, we integrate a fine-tuned YOLO detector with OpenCV-based processing to isolate voltage and current sources for polarity re-identification. To mitigate reasoning errors, we introduce an ngspice-driven verification loop that supports iterative refinement with optional human feedback. On 83 problems, the proposed pipeline achieves 97.59% accuracy, compared with 79.52% for baseline Gemini. Across four hand-drawn diagram variations, accuracy improves from 60.61%--71.21% to 89.39%--92.42%, with statistically significant gains (p<0.005). On 43 problems from a different textbook, accuracy increases from 58.14% to 83.72%, further supporting cross-textbook generalizability. Error analysis shows that circuit recognition remains the dominant source of residual failures, particularly under varying diagram representations. Overall, the framework substantially improves the robustness, scalability, and generalizability of LLM-based circuit problem solving for engineering education and practical circuit analysis.
Liangliang Chen, Weiyu Sun, Huiru Xie +2
Nov 19, 2025cs.CV

A Comprehensive Study on Visual Token Redundancy for Discrete Diffusion-based Multimodal Large Language Models

Discrete diffusion-based multimodal large language models (dMLLMs) have emerged as a promising alternative to autoregressive MLLMs thanks to their advantages in parallel decoding and bidirectional context modeling, but most existing dMLLMs incur significant computational overhead during inference due to the full-sequence attention computation in each denoising step. Pioneering studies attempt to resolve this issue from a modality-agnostic perspective via key-value cache optimization or efficient sampling but most of them overlook modality-specific visual token redundancy. In this work, we conduct a comprehensive study on how visual token redundancy evolves with different dMLLM architectures and tasks and how visual token pruning affects dMLLM responses and efficiency. Specifically, our study reveals that visual redundancy emerges only in from-scratch dMLLMs while handling long-answer tasks. In addition, we validate that visual token pruning introduces non-negligible information loss in dMLLMs and only from-scratch dMLLMs can recover the lost information progressively during late denoising steps. Furthermore, our study shows that layer-skipping is promising for accelerating AR-to-diffusion dMLLMs, whereas progressive or late-step pruning is more effective for from-scratch dMLLMs. Overall, this work offers a new perspective on efficiency optimization for dMLLMs, greatly advancing their applicability across various multimodal understanding tasks. The code is available at: https://github.com/Yrdal3910/dMLLM-Visual-Token-Redundancy-Analysis.
Duo Li, Zuhao Yang, Xiaoqin Zhang +2
Nov 13, 2025cs.DC

Scalable Synthesis of distributed LLM workloads through Symbolic Tensor Graphs

Optimizing the performance of large language models (LLMs) on large-scale AI training and inference systems requires a scalable and expressive mechanism to model distributed workload execution. Such modeling is essential for pre-deployment system-level optimizations (e.g., parallelization strategies) and hardware design-space explorations. While recent efforts have proposed collecting execution traces from real systems, access to large-scale infrastructure remains limited to major cloud providers. Moreover, traces capturing execution on a specific platform cannot be easily adapted to study alternate software and/or hardware configurations, especially at scale. We introduce STAGE, a framework that synthesizes high-fidelity execution graphs to accurately model distributed AI workloads (including LLMs and MoEs). STAGE supports a comprehensive set of parallelization strategies, allowing users to systematically explore a wide spectrum of model architectures and system configurations. STAGE demonstrates its scalability by synthesizing high-fidelity LLM traces spanning over 128K GPUs, while preserving tensorlevel accuracy in compute, memory, and communication. STAGE is publicy available at https://github.com/astra-sim/stage
Changhai Man, Joongun Park, Hanjiang Wu +3
Oct 16, 2025cs.AI

Compositional Machine Design as Program Synthesis with LLMs

Large language models (LLMs) have shown strong abilities in writing and revising programs, yet many program-synthesis benchmarks still evaluate programs in symbolic or digital environments. We introduce compositional machine design, a physically grounded form of program synthesis where machines are written as programs that compose standardized parts, and success is determined by simulated physical behavior. To study this problem, we present BesiegeField, a testbed built on the machine-building game Besiege. In BesiegeField, LLM agents generate machine programs from textual functional demands, execute the resulting machines in simulation, and receive rewards and state feedback. We benchmark LLM agents across representative machine-design tasks under single-agent generation, iterative editing, and hierarchical workflows. Strong models recover task-relevant structures and sometimes achieve nontrivial physical performance, but often struggle with spatially precise assembly, mechanism-level planning, and translating feedback into useful structural edits. We further finetune Qwen2.5-14B, an open-source LLM, with reinforcement learning from simulation-derived rewards. We find that, under a fixed generation budget, RL improves the best machine discovered. We additionally evaluate human performance to provide a reference point for task difficulty. These results establish compositional machine design as a testbed for studying LLM agents that synthesize executable machine programs and improve them through physical feedback.
Wenqian Zhang, Yangyi Huang, Weiyang Liu +1
Oct 1, 2025cs.CL

Verbalized Sampling: How to Mitigate Mode Collapse and Unlock LLM Diversity

Post-training alignment often reduces LLM diversity, leading to a phenomenon known as mode collapse. Unlike prior work that attributes this effect to algorithmic limitations, we identify a fundamental, pervasive data-level driver: typicality bias in preference data, whereby annotators systematically favor familiar text as a result of well-established findings in cognitive psychology. We formalize this bias theoretically, verify it on preference datasets empirically, and show that it plays a central role in mode collapse. Motivated by this analysis, we introduce Verbalized Sampling, a simple, training-free prompting strategy to circumvent mode collapse. VS prompts the model to verbalize a probability distribution over a set of responses (e.g., "Generate 5 jokes about coffee and their corresponding probabilities"). Comprehensive experiments show that VS significantly improves performance across creative writing (poems, stories, jokes), dialogue simulation, open-ended QA, and synthetic data generation, without sacrificing factual accuracy and safety. For instance, in creative writing, VS increases diversity by 1.6-2.1x over direct prompting. We further observe an emergent trend that more capable models benefit more from VS. In sum, our work provides a new data-centric perspective on mode collapse and a practical inference-time remedy that helps unlock pre-trained generative diversity.
Jiayi Zhang, Simon Yu, Derek Chong +4
Sep 25, 2025cs.LG

Ranking Before Serving: Low-Latency LLM Serving via Pairwise Learning-to-Rank

Efficient scheduling of large language model (LLM) inference tasks is critical for achieving low latency and high throughput, a challenge that is becoming increasingly acute with the rise of reasoning-capable LLMs whose generation lengths are highly variable. Traditional strategies like First Come, First-Serve (FCFS) often suffer from Head-of-Line (HOL) blocking, where long-running tasks delay shorter ones queued behind them. In this paper, we introduce PARS, a prompt-aware LLM task scheduler that mitigates HOL blocking by approximating shortest-job-first (SJF) scheduling through pairwise ranking with a margin ranking loss. PARS effectively predicts response-length-based task ordering directly from prompts, thereby optimizing scheduling decisions with minimal overhead. In addition, it integrates seamlessly with vLLM, a state-of-the-art LLM serving system, for the research community. Extensive experiments across multiple LLM models and real-world inference use cases, including chat, math, and code generation, demonstrate that PARS significantly reduces latency by up to 15.7x compared to the vLLM default scheduler. Cross-model evaluations demonstrate that our design generalizes effectively, allowing effective scheduling across diverse LLMs without requiring model-specific retraining.
Yiheng Tao, Yihe Zhang, Matthew Dearing +4
Sep 24, 2025cs.SE

Benchmarking Web API Integration Code Generation

API integration is a cornerstone of our digital infrastructure, enabling software systems to connect and interact. However, as shown by many studies, writing or generating correct code to invoke APIs, particularly web APIs, is challenging. Although large language models (LLMs) have become popular in software development, their effectiveness in automating the generation of web API integration code remains unexplored. In order to address this, we present WAPIIBench, a dataset and evaluation pipeline designed to assess the ability of LLMs to generate web API invocation code. Our experiments with several open-source LLMs reveal that generating API invocations poses a significant challenge, resulting in hallucinated endpoints, incorrect argument usage, and other errors. None of the evaluated open-source models was able to solve more than 40% of the tasks.
Daniel Maninger, Leon Chemnitz, Amir Molzam Sharifloo +2
Sep 5, 2025cs.DC

VoltanaLLM: Energy-Efficient and SLO-Aware Disaggregated LLM Serving via Adaptive Frequency Control and State-Space Routing

The energy cost of Large Language Model (LLM) inference is rapidly becoming a barrier to sustainable and scalable deployment. Although modern serving architectures expose distinct prefill and decode behaviors, existing systems fail to exploit these phase differences for energy-efficient serving under strict latency SLOs. This paper introduces VoltanaLLM, the first system that explicitly targets and reduces the energy bloat in modern prefill-decode (P/D) disaggregated LLM serving. Guided by a control-theory perspective, VoltanaLLM separates two levers: per-instance operating-point selection (GPU frequency per iteration) and system-level state-space routing of requests. We empirically observe that LLM inference exhibits a U-shaped energy-frequency curve creating "sweet spots" that depend on phase behavior and load. VoltanaLLM exploits this by combining phase-specific, iteration-level frequency selection driven by a lightweight, online-adaptive latency predictor, with a decode state-space guided router that avoids architectural granularity-induced inefficiencies, all while meeting desired SLOs. We implement VoltanaLLM using SGLang and evaluate it across multiple models and real-world workloads. Our results show VoltanaLLM reduces end-to-end energy by up to 36.3% versus a static max-frequency baseline while maintaining high SLO attainment, and generalizes to newer GPUs. These results point to sustainable LLM serving via phase-aware, iteration-level frequency selection coupled with architecture-aware routing. Source code is available in https://github.com/Supercomputing-System-AI-Lab/VoltanaLLM.
Jiahuan Yu, Aryan Taneja, Junfeng Lin +1
Jul 24, 2025cs.LG

Squeeze10-LLM: Squeezing LLMs' Weights by 10 Times via a Staged Mixed-Precision Quantization Method

Deploying large language models (LLMs) is challenging due to their massive parameters and high computational costs. Ultra low-bit quantization can significantly reduce storage and accelerate inference, but extreme compression (i.e., mean bit-width <= 2) often leads to severe performance degradation. To address this, we propose Squeeze10-LLM, effectively "squeezing" 16-bit LLMs' weights by 10 times. Specifically, Squeeze10-LLM is a staged mixed-precision post-training quantization (PTQ) framework and achieves an average of 1.6 bits per weight by quantizing 80% of the weights to 1 bit and 20% to 4 bits. We introduce Squeeze10LLM with two key innovations: Post-Binarization Activation Robustness (PBAR) and Full Information Activation Supervision (FIAS). PBAR is a refined weight significance metric that accounts for the impact of quantization on activations, improving accuracy in low-bit settings. FIAS is a strategy that preserves full activation information during quantization to mitigate cumulative error propagation across layers. Experiments on LLaMA and LLaMA2 show that Squeeze10-LLM achieves state-of-the-art performance for sub-2bit weight-only quantization, improving average accuracy from 43% to 56% on six zero-shot classification tasks--a significant boost over existing PTQ methods.
Qingcheng Zhu, Yangyang Ren, Linlin Yang +6
Jul 14, 2025cs.LG

FusionFactory: Fusing LLM Capabilities with Multi-LLM Log Data

The rapid advancement of large language models (LLMs) has created a diverse landscape of models, each excelling at different tasks. This diversity drives researchers to employ multiple LLMs in practice, leaving behind valuable multi-LLM log data. This naturally leads to the question of whether such logs can be fully leveraged to fuse LLMs' complementary capabilities. Although prior work has explored various strategies for integrating multiple LLMs, we argue that practical fusion must meet two essential requirements: (1) compatibility with real-world serving scenarios (e.g., local and API-based serving), and (2) flexibility to operate at different stages of the LLM pipeline to meet varied user needs (e.g., fine-tuning and inference stages). To this end, we introduce LLMFusionBench, a large-scale benchmark for LLM fusion that spans 14 tasks across five domains, with responses from 20 open-source LLMs (8B--671B) totaling 103M tokens. Building on LLMFusionBench, we propose FusionFactory, a systematic framework with three elaborated levels: (1) query-level fusion via tailored LLM routers, (2) thought-level fusion leveraging retrieved abstract reasoning templates, and (3) model-level fusion via distillation from top-ranked responses. Experiments show that FusionFactory consistently outperforms the best individual LLM across all 14 benchmarks, with the optimal fusion configuration varying across benchmarks, highlighting the promise of multi-LLM log data as a practical foundation for fusing diverse LLM capabilities.
Tao Feng, Haozhen Zhang, Zijie Lei +5
Jul 5, 2025cs.AI

A Technical Survey of Reinforcement Learning Techniques for Large Language Models

This survey offers a comprehensive foundation on the integration of RL with language models, highlighting prominent algorithms such as Proximal Policy Optimization (PPO), Q-Learning, and Actor-Critic methods. Additionally, it provides an extensive technical overview of RL techniques specifically tailored for LLMs, including foundational methods like Reinforcement Learning from Human Feedback (RLHF) and AI Feedback (RLAIF), as well as advanced strategies such as Direct Preference Optimization (DPO) and Group Relative Policy Optimization (GRPO). We systematically analyze their applications across domains, i.e., from code generation to tool-augmented reasoning. Crucially, we move beyond descriptive categorization to provide a rigorous algorithmic analysis of failure modes, mathematically framing the structural bottlenecks and stability trade-offs inherent in policy optimization. We also present a comparative taxonomy based on reward modeling, feedback mechanisms, and optimization strategies. Our evaluation highlights key trends. RLHF remains dominant for alignment, and outcome-based RL such as Reinforcement Learning with Verifiable Rewards (RLVR) significantly improves stepwise reasoning. However, persistent challenges such as reward hacking, computational costs, and scalable feedback collection underscore the need for continued innovation. We also explicate the causal factors behind recent benchmark performances, distinguishing between gains derived from architectural scaling versus those stemming from specific optimization objectives. We further discuss emerging directions, including hybrid RL algorithms, verifier-guided training, and multi-objective alignment frameworks. This survey serves as a roadmap for researchers advancing RL-driven LLM development, balancing capability enhancement with safety and scalability.
Saksham Sahai Srivastava, Vaneet Aggarwal
Jun 30, 2025cs.CL

The Trilemma of Truth in Large Language Models

The public often attributes human-like qualities to large language models (LLMs), assuming that they "know" certain things. In reality, LLMs encode information retained during training as internal probabilistic knowledge. This study examines existing methods for probing the veracity of that knowledge and identifies three flawed underlying assumptions. To address these flaws, we introduce sAwMIL (Sparse-Aware Multiple-Instance Learning), a multiclass probing framework that combines multiple-instance learning with conformal prediction. sAwMIL leverages LLMs' internal representations to classify statements as true, false, or neither. We evaluate sAwMIL across 16 open-source LLMs, including default and chat-based variants, using three new curated datasets. Our results show that (1) common probing methods fail to provide a reliable and transferable veracity direction and, in some settings, perform worse than zero-shot prompting; (2) truth and falsehood are not encoded symmetrically; and (3) LLMs encode a third type of signal that is distinct from both true and false.
Germans Savcisens, Tina Eliassi-Rad
Jun 25, 2025cs.SE

RedCoder: Automated Multi-Turn Red Teaming for Code LLMs

Large Language Models (LLMs) for code generation (i.e., Code LLMs) have demonstrated impressive capabilities in AI-assisted software development and testing. However, recent studies have shown that these models are prone to generating vulnerable or even malicious code under adversarial settings. Existing red-teaming approaches rely on extensive human effort, limiting their scalability and practicality, and generally overlook the interactive nature of real-world AI-assisted programming, which often unfolds over multiple turns. To bridge these gaps, we present RedCoder, a red-teaming agent that engages victim models in multi-turn conversation to elicit vulnerable code. The pipeline to construct RedCoder begins with a multi-agent gaming process that simulates adversarial interactions, yielding a set of prototype conversations and an arsenal of reusable attack strategies. We then fine-tune an LLM on these prototype conversations to serve as the backbone of RedCoder. Once deployed, RedCoder autonomously engages Code LLMs in multi-turn conversations, dynamically retrieving relevant strategies from the arsenal to steer the dialogue toward vulnerability-inducing outputs. Experiments across multiple Code LLMs show that our approach outperforms prior single-turn and multi-turn red-team methods in inducing vulnerabilities in code generation, offering a scalable and effective tool for evaluating the security boundaries of modern code-generation systems.
Wenjie Jacky Mo, Qin Liu, Xiaofei Wen +5
Apr 3, 2025cs.CL

LearNAT: Learning NL2SQL with AST-guided Task Decomposition for Large Language Models

Natural Language to SQL (NL2SQL) aims to translate natural language queries into executable SQL statements, offering non-expert users intuitive access to databases. While recent approaches leveraging large-scale private LLMs such as GPT-4 have achieved state-of-the-art results, they face two critical challenges: the lack of openness and reproducibility, and the prohibitive computational cost of test-time scaling. To address these issues, we explore improving the model-level performance of small-scale public LLMs in NL2SQL under resource-constrained settings. Our exploratory experiments reveal the potential of task decomposition for enhancing NL2SQL performance, but also highlight the difficulty of enabling LLMs to decompose queries effectively. Motivated by these findings, we propose LearNAT, a novel framework designed to enhance decomposition capabilities of LLM. LearNAT introduces (1) a Decomposition Synthesis Procedure, which leverages AST-guided search with pruning strategies to generate verifiable and efficient decompositions, and (2) Margin-Aware Reinforcement Learning, which provides fine-grained preference optimization for multi-step reasoning beyond standard DPO. Extensive experiments on benchmark datasets demonstrate that LearNAT significantly improves the performance of small-scale LLMs, achieving results comparable to GPT-4 with only a 7B parameter model. These results validate the effectiveness of verifiable decomposition and fine-grained preference learning in advancing NL2SQL towards openness, transparency, and efficiency. Our code is publicly available at https://github.com/MrBlankness/LearNAT.
Weibin Liao, Xin Gao, Tianyu Jia +6
Feb 21, 2025cs.LG

The relationship between reasoning and performance in large language models--o3 (mini) thinks harder, not longer

Large language models have demonstrated remarkable progress in mathematical reasoning, leveraging chain-of-thought and reinforcement learning. However, many open questions remain regarding the interplay between reasoning token usage and accuracy gains. In particular, when comparing models across generations, it is unclear whether improved performance results from longer reasoning chains or more efficient reasoning. We systematically analyze reasoning chain length across o1-mini and o3-mini variants on the Omni-MATH benchmark, finding that o3-mini (m) achieves superior accuracy without requiring longer reasoning chains than o1-mini. Moreover, we show that accuracy generally declines as reasoning chains grow across all models and compute settings, even when controlling for difficulty of the questions. This accuracy drop is significantly smaller in more proficient models, suggesting that new generations of reasoning models use test-time compute more effectively. Finally, we highlight that while o3-mini (h) achieves a marginal accuracy gain over o3-mini (m), it does so by allocating substantially more reasoning tokens across all problems, even the ones that o3-mini (m) can already solve. These findings provide new insights into the relationship between model capability and reasoning length, with implications for efficiency, scaling, and evaluation methodologies.
Marthe Ballon, Andres Algaba, Vincent Ginis
Oct 11, 2024cs.CL

Which Demographics do LLMs Default to During Annotation?

Demographics and cultural background of annotators influence the labels they assign in text annotation -- for instance, an elderly woman might find it offensive to read a message addressed to a "bro", but a male teenager might find it appropriate. It is therefore important to acknowledge label variations to not under-represent members of a society. Two research directions developed out of this observation in the context of using large language models (LLM) for data annotations, namely (1) studying biases and inherent knowledge of LLMs and (2) injecting diversity in the output by manipulating the prompt with demographic information. We combine these two strands of research and ask the question to which demographics an LLM resorts to when no demographics is given. To answer this question, we evaluate which attributes of human annotators LLMs inherently mimic. Furthermore, we compare non-demographic conditioned prompts and placebo-conditioned prompts (e.g., "you are an annotator who lives in house number 5") to demographics-conditioned prompts ("You are a 45 year old man and an expert on politeness annotation. How do you rate {instance}"). We study these questions for politeness and offensiveness annotations on the POPQUORN data set, a corpus created in a controlled manner to investigate human label variations based on demographics which has not been used for LLM-based analyses so far. We observe notable influences related to gender, race, and age in demographic prompting, which contrasts with previous studies that found no such effects.
Johannes Schäfer, Aidan Combs, Christopher Bagdon +9
Jul 15, 2024q-fin.TR

When AI Meets Finance (StockAgent): Large Language Model-based Stock Trading in Simulated Real-world Environments

Can AI Agents simulate real-world trading environments to investigate the impact of external factors on stock trading activities (e.g., macroeconomics, policy changes, company fundamentals, and global events)? These factors, which frequently influence trading behaviors, are critical elements in the quest for maximizing investors' profits. Our work attempts to solve this problem through large language model based agents. We have developed a multi-agent AI system called StockAgent, driven by LLMs, designed to simulate investors' trading behaviors in response to the real stock market. The StockAgent allows users to evaluate the impact of different external factors on investor trading and to analyze trading behavior and profitability effects. Additionally, StockAgent avoids the test set leakage issue present in existing trading simulation systems based on AI Agents. Specifically, it prevents the model from leveraging prior knowledge it may have acquired related to the test data. We evaluate different LLMs under the framework of StockAgent in a stock trading environment that closely resembles real-world conditions. The experimental results demonstrate the impact of key external factors on stock market trading, including trading behavior and stock price fluctuation rules. This research explores the study of agents' free trading gaps in the context of no prior knowledge related to market data. The patterns identified through StockAgent simulations provide valuable insights for LLM-based investment advice and stock recommendation. The code is available at https://github.com/MingyuJ666/Stockagent.
Chong Zhang, Xinyi Liu, Zhongmou Zhang +10
May 22, 2024cs.CL

Vikhr: The Family of Open-Source Instruction-Tuned Large Language Models for Russian

There has been a surge in the development of various Large Language Models (LLMs). However, text generation for languages other than English often faces significant challenges, including poor generation quality and reduced computational performance due to the disproportionate representation of tokens in the model's vocabulary. In this work, we address these issues by developing a pipeline for the adaptation of English-oriented pre-trained models to other languages and constructing efficient bilingual LLMs. Using this pipeline, we construct Vikhr, a series of bilingual open-source instruction-following LLMs designed specifically for the Russian language. Vikhr'' refers to the name of the Mistral LLM series and means a strong gust of wind.'' Unlike previous Russian-language models that typically rely on LoRA adapters on top of English-oriented models, sacrificing performance for lower training costs, Vikhr features an adapted tokenizer vocabulary and undergoes the continued pre-training and instruction tuning of all weights. This not only enhances the model's performance but also significantly improves its computational and contextual efficiency. We also expanded the instruction datasets and corpora for continued pre-training. The model weights, instruction sets, and code are publicly available.
Aleksandr Nikolich, Konstantin Korolev, Sergei Bratchikov +2
Date pendingcs.CL

UrduMMLU: A Massive Multitask Benchmark for Urdu Language Understanding

Meaningful multilingual evaluation must test models in the target language and educational context. Urdu, spoken by more than 230 million people, lacks a broad MMLU-style benchmark built from native educational sources. We introduce UrduMMLU, a benchmark of 26,389 Urdu MCQs across 26 subjects and five domains, collected from native Urdu MCQ banks and public examination PDFs. Unlike translation-based benchmarks, UrduMMLU combines academic subjects with content specific to Urdu and regional education. We label the exam-derived portion through dual human annotation with strict consensus filtering. We evaluate 30 LLMs under English and Urdu prompts, yielding 60 zero-shot evaluations, and further evaluate four open-source LLMs under multiple few-shot settings across both prompt languages. Gemini-3.5-Flash performs best, reaching 90.23% and 90.45% accuracy, while no other model exceeds 85%. The strongest open-source model trails by 7.78 and 9.12 points, and many models lose 25 to 40 points on Urdu-centered Humanities subjects compared with STEM. Few-shot prompting yields only modest gains. Results on UrduMMLU show that current LLMs have uneven Urdu knowledge, particularly for content grounded in the regional context.
Ahmer Tabassum, Sarfraz Ahmad, Hasan Iqbal +3
Date pendingcs.CL

KoSimpleQA: A Korean Factuality Benchmark with an Analysis of Reasoning LLMs

We present Korean SimpleQA (KoSimpleQA)\textbf{Korean SimpleQA (KoSimpleQA)}, a benchmark for evaluating factuality in large language models (LLMs) with a focus on Korean cultural knowledge. KoSimpleQA is designed to be challenging yet easy to grade, consisting of 938 short, fact-seeking questions with unambiguous answers. We conduct a comprehensive evaluation across a diverse set of open-source LLMs of varying sizes that support Korean, and find that even the strongest model generates correct answer only 31.6% of the time, underscoring the challenging nature of KoSimpleQA. Notably, performance rankings on KoSimpleQA differ substantially from those on the English SimpleQA, highlighting the unique value of our dataset. Furthermore, we observe that reasoning helps mitigate the cross-lingual knowledge gap in LLMs, which refers to disparities in their ability to manifest knowledge across languages. KoSimpleQA can be found at https://github.com/naver-ai/KoSimpleQA.
Donghyeon Ko, Kyubyung Chae, Yeguk Jin +6
Date pendingcs.CL

Characterizing Narrative Content in Web-scale LLM Pretraining Data

The narrative composition of web-scale LLM pretraining corpora remains largely unexplored, even though narrative is a fundamental mode of human communication. We present the first fine-grained study of narrative features in Dolma, a 3-trillion-token open pretraining corpus. Drawing on narrative theory, we design a framework spanning three core narrative elements (agency, setting, and events) operationalized as 11 interpretable dimensions. After curating and hand-annotating a diverse set of 400 passages, we create an LLM-labeled dataset of 25K passages, and finally, we finetune and validate NarraBERT, two RoBERTa-based models for fine-grained narrative prediction. We apply NarraBERT to 13M passages, resulting in a new dataset, NarraDolma. We find that narrative structure is measurable at scale across extremely heterogeneous data and narrative qualities are unequally distributed across pretraining sources, topics, and formats in ways that current data curation practices neither measure nor account for. Our framework, dataset, and analyses provide a foundation for understanding how narrative qualities are distributed in LLM pretraining data.
Teagan Johnson, Elliott Ash, Andrew Piper +1
Date pendingcs.LG

AsyncFlow: An Asynchronous Streaming RL Framework for Efficient LLM Post-Training

Reinforcement learning (RL) has become a pivotal technology in the post-training phase of large language models (LLMs). Traditional task-collocated RL frameworks suffer from significant scalability bottlenecks, while task-separated RL frameworks face challenges in managing complex dataflows and resolving resource idling. Furthermore, most existing frameworks are tightly coupled with LLM training or inference engines, making them difficult to support custom-designed engines. To address these challenges, we propose AsyncFlow, an asynchronous streaming RL framework tailored for efficient post-training. Specifically, we introduce a distributed data storage and transfer module that provides panoramic data management and fine-grained scheduling capabilities in a fully streamed manner. This architecture inherently enables automated pipeline overlapping among RL tasks and dynamic load-balancing. Moreover, we propose an asynchronous producer-consumer workflow, which is engineered to minimize computational idleness by strategically deferring the parameter update process within staleness thresholds. Finally, the core capabilities of AsyncFlow are architecturally decoupled from underlying training and inference engines and encapsulated by service-oriented user interfaces, offering a modular and customizable user experience. Extensive experiments demonstrate an average throughput of 1.59x compared to the state-of-the-art baseline. The architecture presented in this work provides actionable insights for designing next-generation RL training systems.
Zhenyu Han, Ansheng You, Haibo Wang +16
Date pendingcs.PF

Dynamic Expert Quantization for Scalable Mixture-of-Experts Inference

Mixture-of-Experts (MoE) has become a practical architecture for scaling LLM capacity while keeping per-token compute modest, but deploying MoE models on a single, memory-limited GPU remains difficult because expert weights dominate the HBM footprint. Existing expert offloading and prefetching systems reduce the resident set, yet they often pay expert-loading costs on the critical path when activation becomes dense. Post-training quantization (PTQ) lowers the footprint without transfers, but prevailing pipelines fix expert bit-widths offline and assume routing remains stable, even though MoE expert utilization is heavy-tailed and the hot set can shift across workloads. We present DynaExq, a runtime-aware mixed-precision serving system that treats single-GPU MoE inference under a hard HBM envelope as an online, budget-constrained precision allocation problem. The key insight is to keep the experts that dominate runtime traffic resident at higher precision, while maintaining a low-precision fallback for the remaining experts, so the system can reduce transfer volume and avoid the waiting latency that limits offloading and prefetching under dense activation. DynaExq estimates long-horizon expert hotness from router traces, selects a per-layer high-precision resident set via a budget-feasible top-nn rule, and applies promotions and demotions asynchronously through stable expert handles so the forward pass always executes on a fully materialized expert version. Across Qwen3-MoE-30B/80B and six benchmarks, DynaExq improves accuracy over static PTQ on Qwen3-80B (73.09% to 77.57%) under comparable device-memory budgets and achieves up to 2.73x higher throughput than offloading/prefetch baselines at batch size 32.
Kexin Chu, Dawei Xiang, Zixu Shen +3
Date pendingcs.IR

LLMAR: A Tuning-Free Recommendation Framework for Sparse and Text-Rich Industrial Domains

Industrial B2B applications (e.g., construction site risk prediction, material procurement) face extreme data sparsity yet feature rich textual interactions. In such environments, traditional ID-based collaborative filtering fails lacking co-occurrence signals, while fine-tuning standard Large Language Models (LLMs) incurs high operational costs and struggles with frequent data drift. We propose LLMAR (LLM-Annotated Recommendation), a tuning-free framework. Moving beyond simple embeddings, LLMAR systematically integrates LLM reasoning to capture user "latent motives" without any training process. We introduce three core contributions: (1) Inference-Driven Annotation: uses LLMs to transform behavioral history into structured semantic motives, enabling reasoning-based matching unattainable by ID-based methods; (2) Reflection Loop: a self-correction mechanism that refines generated queries to mitigate hallucinations and resolve "context competition" between past history and current instructions; and (3) Cost-Effective Architecture: relies on tuning-free components and asynchronous batch processing to minimize maintenance costs. Evaluations on public benchmarks (MovieLens-1M, Amazon Prime Pantry) and a sparse industrial dataset (construction risk prediction) demonstrate that LLMAR outperforms state-of-the-art learning-based models (SASRecF), achieving up to a 54.6% nDCG@10 improvement on the industrial dataset. Inference costs remain highly practical (~$1 per 1,000 users). For B2B domains where strict real-time latency is not critical, combining LLM reasoning with self-verification offers a superior alternative to training-based approaches across accuracy, explainability, and operational cost.
Ryogo Hishikawa, Ichiro Kataoka, Shinya Yuda
Date pendingcs.CL

Closed-Loop Bayesian Molecular Inverse Design with Semantic LLM Surrogates

Practical molecular inverse design is rarely a one-shot generation problem; it often takes the form of closed-loop candidate-pool enrichment, where under a limited oracle budget the goal is to increase the fraction of generated molecules that match a desired property profile. Bayesian optimization (BO) offers a natural framework for this setting, yet standard Gaussian-process surrogates typically operate in compressed continuous embeddings, which discard the substructural and reference-similarity signals that chemists naturally use to decide where to look next. We propose BoMolLLM, a closed-loop framework in which the surrogate, rather than the generator, is treated as the locus of design choice, and instantiate it with a frozen large language model that reasons directly over the task instruction, SMILES-level optimization history, and oracle feedback in their native textual form. At each iteration, the surrogate returns a structured decision signal that selects informative reference molecules under an exploration and exploitation principle, optionally with a concise guidance sentence. This signal is converted into next-round conditioning text for a frozen molecular generator, yielding an inspectable optimization trace in natural language. Experiments on MolQA drug and material design tasks show that BoMolLLM improves over one-shot prompting, is competitive with or stronger than GP-based BO baselines, and reveals a domain-dependent interface: reference-only transfer works best for binary drug targets, while adding a concise surrogate summary is more beneficial for continuous material
Yaoyao Xu, Xinjian Zhao, Xiaozhuang Song +2