arXiv subjects

Nesreen K. Ahmed

Publications and source records attributed to Nesreen K. Ahmed.

At least 19 recordsLinked to original sources

arXiv2026

D3-Gym: Constructing Real-World Verifiable Environments for Data-Driven Discovery

Despite recent progress in language models and agents for scientific data-driven discovery, advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises 565 tasks from 239 real scientific repositories across four disciplines, each with a natural language instruction, an executable environment with pre-installed dependencies, dataset previews, a reference solution, and an automatically synthesized evaluation script. Our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic. Training on trajectories sampled from D3-Gym yields consistent gains across Qwen3 models on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and shrinking the gap with strong proprietary models. We further illustrate, through case studies, how D3-Gym environments can serve as a testbed for studying agentic optimization loops such as Autoresearch on real scientific workflows. We open-source D3-Gym, its creation workflow, sampled trajectories, and training scripts at https://github.com/OSU-NLP-Group/D3-Gym.

cs.AI↗

arXiv2026

Unifying Graph Neural Networks Through a Common Layer Equation

Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences. We introduce a common layer equation that represents covered architectures through seven components: an update domain, channel set, propagation bank, per-channel message maps, channel-fusion operator, ego/residual map, and update map. The central factorization separates where information moves, encoded by the propagation bank, from what moves, encoded by the message maps. Function-valued fillings extend the same equation across local message passing, attention, spectral filtering, global communication, relation-specific channels, higher-order domains, and geometric messages. We make this unification explicit and checkable through worked reductions of canonical layers and component assignments spanning seven nonexclusive architectural families. A fixed slot discipline assigns operations by computational role and defines the framework's coverage boundary. The decomposition also yields component-level theoretical insights: under endpoint-local messages and node-local updates, operator support bounds one-layer dependencies, and one-layer global mixing requires a full effective operator row under the stated hypotheses. The resulting framework organizes more than 200 architectures in a common design space, enables component-wise comparison and generation of structurally consistent architectures, and connects propagation choices to oversmoothing, oversquashing, heterophily, and expressivity. It further exposes the empirical inverse problem of mapping measurable graph and task properties to validated component choices.

cs.LG↗

arXiv2026

Personalized Auto-Research: Towards a True AI Co-Scientist

AI co-scientists that generate hypotheses, retrieve related work, design experiments, execute code, and draft full papers are beginning to change how research is carried out. Despite this rapid progress, state-of-the-art systems remain researcher-agnostic: given a research goal, they optimize novelty, validity, or reviewer score while ignoring the individual scientist who will use the output. This overlooks a fundamental fact about research, namely, that what counts as novel, valuable, or feasible depends on the researcher, including their prior work, methodological repertoire, and the collaborators and communities in which they are embedded. In this work, we introduce the problem of personalized auto-research, which conditions every stage of the research process on a representation of the individual researcher. We argue that personalization is not a convenience layer, but rather the fundamental property that allows an AI system to serve as a genuine co-scientist rather than a generic instrument. To address this problem, we propose a general and flexible framework that threads a graph-grounded researcher context through retrieval, hypothesis search, experimentation, writing, and review. The framework consists of three fundamental components: (i) graph-grounded researcher representations, (ii) personalization across the full research pipeline, and (iii) evaluation grounded in the individual. Notably, we highlight a one-size-fits-all failure mode where distinct researchers issuing the same goal receive essentially the same research, erasing the tacit knowledge through which novel ideas arise. Finally, we discuss fundamental open problems and challenges.

cs.AI↗

arXiv2026

Multi-turn RL with Structural and Performance Aware Rewards for CUDA Kernel Generation

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful technique to enhance the reasoning capacity of LLMs for optimized code generation. However, existing RLVR approaches primarily rely on outcome-based signals such as correctness and speedup, overlooking performance-critical structural properties of programs that are essential for generating optimized code. In this work, we propose CudaPerf, a reflective RL framework that incorporates both verifiable execution rewards and structural code-aware rewards derived from parallelization features (e.g., memory coalescing, occupancy, Arithmatic Intensity, and synchronization patterns). CudaPerf operates in two stages: (1) an offline pairwise ranking module that learns to distinguish strong and weak program candidates via contrastive comparisons, and (2) an online RL training phase that jointly optimizes for correctness, performance, and structural efficiency through a unified reward signal. To further enhance learning, CudaPerf utilizes iterative refinement using execution feedback enabling progressive improvement of generated candidates. We also introduce a dataset comprising 2.9k C to CUDA and 1k PyTorch to CUDA programs, each paired with diverse input configurations and multiple CUDA implementations encompassing diverse optimization strategies. CudaPerf is evaluated across multiple benchmarks comprising both C to CUDA and PyTorch to CUDA transformations. Empirical findings suggest that CudaPerf significantly outperforms strong baselines, including Qwen-3-32B (for C to CUDA) and CUDA Agent (for PyTorch to CUDA) by achieving up to 5X & 3.32X improvements in speedup, and 17% & 7% improvements in correctness, respectively.

cs.LG↗

arXiv2026

TRACE: Trajectory Reasoning through Adaptive Cross-Step Evidence Aggregation for LLM Agents

Autonomous LLM agents can pursue hidden malicious objectives through sequences of individually benign actions, making sabotage difficult to detect using standard trajectory-level monitoring. Existing approaches either evaluate complete trajectories in a single pass or partition them into independently scored windows, limiting their ability to connect evidence across temporally distant actions. We propose TRACE, a monitoring framework for long-horizon LLM agent trajectories. TRACE operates through a TIJ (Triage-Inspect-Judge) loop that identifies high-signal regions, performs targeted inspection while maintaining accumulated evidence across reasoning steps, and synthesizes a trajectory-level verdict. We evaluate TRACE on ten task domains from SHADE-Arena against state-of-the-art baselines. TRACE achieves an aggregate F1 of 0.713 and recall of 0.844, with the largest gains on tasks requiring long-range evidence linking.

cs.CL↗

arXiv2026

Agent-ToM: Learning to Monitor Autonomous LLM Agents via Theory-of-Mind Reasoning

Monitoring autonomous large language model (LLM) agents for covert malicious behavior is challenging due to delayed, context-dependent, and long-horizon attack patterns. Agents may pursue hidden objectives while maintaining superficially benign behavior, making detection difficult even with full trajectory access. Prior monitoring approaches improve scaffolding or ensemble aggregation, but treat each trajectory independently and do not learn from prior monitoring experience. Moreover, standard reasoning methods explain observed behavior without explicitly reasoning about agent beliefs, intentions, and goal alignment required to distinguish benign task execution from covert deviation. We propose \textbf{Agent-ToM}, a learning-to-monitor framework grounded in Theory-of-Mind (ToM) reasoning for security analysis of autonomous agents. Agent-ToM performs structured full-trajectory analysis by inferring beliefs, intent hypotheses with calibrated confidence, expected actions, and deviations from task-consistent behavioral baselines. At inference time, it employs a \textit{Reason-Verify-Refine} pipeline to construct and validate monitoring decisions. At training time, Agent-ToM distills critique signals into a persistent \textit{semantic guardrail memory}, enabling reusable belief- and intent-conditioned constraints across episodes. We evaluate Agent-ToM on adversarial agent monitoring benchmarks (SHADE-Arena and CUA-SHADE-Arena). Agent-ToM achieves strong precision-recall balance and outperforms state-of-the-art monitoring baselines, including ensemble methods, while using a coherent two-call reasoning pipeline. These results demonstrate that learning at the monitoring layer, combined with structured ToM reasoning and verification, provides an effective and deployable foundation for securing autonomous LLM agents.

cs.LG↗

arXiv2026

Sparse Personalized Text Generation with Multi-Trajectory Reasoning

As Large Language Models (LLMs) advance, personalization has become a key mechanism for tailoring outputs to individual user needs. However, most existing methods rely heavily on dense interaction histories, making them ineffective in cold-start scenarios where such data is sparse or unavailable. While external signals (e.g., content of similar users) can offer a potential remedy, leveraging them effectively remains challenging: raw context is often noisy, and existing methods struggle to reason over heterogeneous data sources. To address these issues, we introduce PAT (Personalization with Aligned Trajectories), a reasoning framework for cold-start LLM personalization. PAT first retrieves information along two complementary trajectories: writing-style cues from stylistically similar users and topic-specific context from preference-aligned users. It then employs a reinforcement learning-based, iterative dual-reasoning mechanism that enables the LLM to jointly refine and integrate these signals. Experimental results across real-world personalization benchmarks show that PAT consistently improves generation quality and alignment under sparse-data conditions, establishing a strong solution to the cold-start personalization problem.

cs.AI↗

arXiv2026

Human-Aligned MLLM Judges for Fine-Grained Image Editing Evaluation: A Benchmark, Framework, and Analysis

Evaluating image editing models remains challenging due to the coarse granularity and limited interpretability of traditional metrics, which often fail to capture aspects important to human perception and intent. Such metrics frequently reward visually plausible outputs while overlooking controllability, edit localization, and faithfulness to user instructions. In this work, we introduce a fine-grained Multimodal Large Language Model (MLLM)-as-a-Judge framework for image editing that decomposes common evaluation notions into twelve fine-grained interpretable factors spanning image preservation, edit quality, and instruction fidelity. Building on this formulation, we present a new human-validated benchmark that integrates human judgments, MLLM-based evaluations, model outputs, and traditional metrics across diverse image editing tasks. Through extensive human studies, we show that the proposed MLLM judges align closely with human evaluations at a fine granularity, supporting their use as reliable and scalable evaluators. We further demonstrate that traditional image editing metrics are often poor proxies for these factors, failing to distinguish over-edited or semantically imprecise outputs, whereas our judges provide more intuitive and informative assessments in both offline and online settings. Together, this work introduces a benchmark, a principled factorization, and empirical evidence positioning fine-grained MLLM judges as a practical foundation for studying, comparing, and improving image editing approaches.

cs.CV↗

arXiv2026

OptiML: An End-to-End Framework for Program Synthesis and CUDA Kernel Optimization

Generating high-performance CUDA kernels remains challenging due to the need to navigate a combinatorial space of low-level transformations under noisy and expensive hardware feedback. Although large language models can synthesize functionally correct CUDA code, achieving competitive performance requires systematic exploration and verification of optimization choices. We present OptiML, an end-to-end framework that maps either natural-language intent or input CUDA code to performance-optimized CUDA kernels by formulating kernel optimization as search under verification. OptiML consists of two decoupled stages. When the input is natural language, a Mixture-of-Thoughts generator (OptiML-G) acts as a proposal policy over kernel implementation strategies, producing an initial executable program. A search-based optimizer (OptiML-X) then refines either synthesized or user-provided kernels using Monte Carlo Tree Search over LLM-driven edits, guided by a hardware-aware reward derived from profiler feedback. Each candidate transformation is compiled, verified, and profiled with Nsight Compute, and evaluated by a composite objective that combines runtime with hardware bottleneck proxies and guardrails against regressions. We evaluate OptiML in both synthesis-and-optimize and optimization-only settings on a diverse suite of CUDA kernels. Results show that OptiML consistently discovers verified performance improvements over strong LLM baselines and produces interpretable optimization trajectories grounded in profiler evidence.

cs.LG↗

arXiv2026

Blind to the Human Touch: Overlap Bias in LLM-Based Summary Evaluation

Large language model (LLM) judges have often been used alongside traditional, algorithm-based metrics for tasks like summarization because they better capture semantic information, are better at reasoning, and are more robust to paraphrasing. However, LLM judges show biases for length and order among others, and are vulnerable to various adversarial input prompts. While recent studies have looked into these biases, few have analyzed them at a more granular level in relation to a well-defined overlap metric. In this work we provide an LLM judge bias analysis as a function of overlap with human-written responses in the domain of summarization. We test 9 recent LLMs with parameter counts ranging from 1 billion to 12 billion, including variants of Gemma 3 and LLaMA 3. We find that LLM judges increasingly prefer summaries generated by other LLMs over those written by humans as the similarities (as measured by ROUGE and BLEU) between the judged summaries decrease, and this pattern extends to all but one model tested, and exists regardless of the models' own position biases. Additionally, we find that models struggle to judge even summaries with limited overlaps, suggesting that LLM-as-a-judge in the summary domain should rely on techniques beyond a simple comparison.

cs.CL↗

arXiv2026

Segment Length Matters: A Study of Segment Lengths on Audio Fingerprinting Performance

Audio fingerprinting provides an identifiable representation of acoustic signals, which can be later used for identification and retrieval systems. To obtain a discriminative representation, the input audio is usually segmented into shorter time intervals, allowing local acoustic features to be extracted and analyzed. Modern neural approaches typically operate on short, fixed-duration audio segments, yet the choice of segment duration is often made heuristically and rarely examined in depth. In this paper, we study how segment length affects audio fingerprinting performance. We extend an existing neural fingerprinting architecture to adopt various segment lengths and evaluate retrieval accuracy across different segment lengths and query durations. Our results show that short segment lengths (0.5-second) generally achieve better performance. Moreover, we evaluate LLM capacity in recommending the best segment length, which shows that GPT-5-mini consistently gives the best suggestions across five considerations among three studied LLMs. Our findings provide practical guidance for selecting segment duration in large-scale neural audio retrieval systems.

cs.SD↗

arXiv2025

Iterative Critique-Refine Framework for Enhancing LLM Personalization

Personalized text generation requires models not only to produce coherent text but also to align with a target user's style, tone, and topical focus. Existing retrieval-augmented approaches such as LaMP and PGraphRAG enrich profiles with user and neighbor histories, but they stop at generation and often yield outputs that drift in tone, topic, or style. We present PerFine, a unified, training-free critique-refine framework that enhances personalization through iterative, profile-grounded feedback. In each iteration, an LLM generator produces a draft conditioned on the retrieved profile, and a critic LLM - also conditioned on the same profile - provides structured feedback on tone, vocabulary, sentence structure, and topicality. The generator then revises, while a novel knockout strategy retains the stronger draft across iterations. We further study additional inference-time strategies such as Best-of-N and Topic Extraction to balance quality and efficiency. Across Yelp, Goodreads, and Amazon datasets, PerFine consistently improves personalization over PGraphRAG, with GEval gains of +7-13%, steady improvements over 3-5 refinement iterations, and scalability with increasing critic size. These results highlight that post-hoc, profile-aware feedback offers a powerful paradigm for personalized LLM generation that is both training-free and model-agnostic.

cs.CL↗

arXiv2025

GUI Agents: A Survey

Graphical User Interface (GUI) agents, powered by Large Foundation Models, have emerged as a transformative approach to automating human-computer interaction. These agents autonomously interact with digital systems or software applications via GUIs, emulating human actions such as clicking, typing, and navigating visual elements across diverse platforms. Motivated by the growing interest and fundamental importance of GUI agents, we provide a comprehensive survey that categorizes their benchmarks, evaluation metrics, architectures, and training methods. We propose a unified framework that delineates their perception, reasoning, planning, and acting capabilities. Furthermore, we identify important open challenges and discuss key future directions. Finally, this work serves as a basis for practitioners and researchers to gain an intuitive understanding of current progress, techniques, benchmarks, and critical open problems that remain to be addressed.

cs.AI↗

arXiv2025

Towards Bridging Review Sparsity in Recommendation with Textual Edge Graph Representation

Textual reviews enrich recommender systems with fine-grained preference signals and enhanced explainability. However, in real-world scenarios, users rarely leave reviews, resulting in severe sparsity that undermines the effectiveness of existing models. A natural solution is to impute or generate missing reviews to enrich the data. However, conventional imputation techniques -- such as matrix completion and LLM-based augmentation -- either lose contextualized semantics by embedding texts into vectors, or overlook structural dependencies among user-item interactions. To address these shortcomings, we propose TWISTER (ToWards Imputation on Sparsity with Textual Edge Graph Representation), a unified framework that imputes missing reviews by jointly modeling semantic and structural signals. Specifically, we represent user-item interactions as a Textual-Edge Graph (TEG), treating reviews as edge attributes. To capture relational context, we construct line-graph views and employ a large language model as a graph-aware aggregator. For each interaction lacking a textual review, our model aggregates the neighborhood's natural-language representations to generate a coherent and personalized review. Experiments on the Amazon and Goodreads datasets show that TWISTER consistently outperforms traditional numeric, graph-based, and LLM baselines, delivering higher-quality imputed reviews and, more importantly, enhanced recommendation performance. In summary, TWISTER generates reviews that are more helpful, authentic, and specific, while smoothing structural signals for improved recommendations.

cs.IR↗

arXiv2025

FigCaps-HF: A Figure-to-Caption Generative Framework and Benchmark with Human Feedback

Captions are crucial for understanding scientific visualizations and documents. Existing captioning methods for scientific figures rely on figure-caption pairs extracted from documents for training, many of which fall short with respect to metrics like helpfulness, explainability, and visual-descriptiveness [15] leading to generated captions being misaligned with reader preferences. To enable the generation of high-quality figure captions, we introduce FigCaps-HF a new framework for figure-caption generation that can incorporate domain expert feedback in generating captions optimized for reader preferences. Our framework comprises of 1) an automatic method for evaluating quality of figure-caption pairs, 2) a novel reinforcement learning with human feedback (RLHF) method to optimize a generative figure-to-caption model for reader preferences. We demonstrate the effectiveness of our simple learning framework by improving performance over standard fine-tuning across different types of models. In particular, when using BLIP as the base model, our RLHF framework achieves a mean gain of 35.7%, 16.9%, and 9% in ROUGE, BLEU, and Meteor, respectively. Finally, we release a large-scale benchmark dataset with human feedback on figure-caption pairs to enable further evaluation and development of RLHF techniques for this problem.

cs.CL↗

arXiv2025

Forecasting Time Series with LLMs via Patch-Based Prompting and Decomposition

Recent advances in Large Language Models (LLMs) have demonstrated new possibilities for accurate and efficient time series analysis, but prior work often required heavy fine-tuning and/or ignored inter-series correlations. In this work, we explore simple and flexible prompt-based strategies that enable LLMs to perform time series forecasting without extensive retraining or the use of a complex external architecture. Through the exploration of specialized prompting methods that leverage time series decomposition, patch-based tokenization, and similarity-based neighbor augmentation, we find that it is possible to enhance LLM forecasting quality while maintaining simplicity and requiring minimal preprocessing of data. To this end, we propose our own method, PatchInstruct, which enables LLMs to make precise and effective predictions.

cs.LG↗

arXiv2025

AutoSDT: Scaling Data-Driven Discovery Tasks Toward Open Co-Scientists

Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT, an automatic pipeline that collects high-quality coding tasks in real-world data-driven discovery workflows. AutoSDT leverages the coding capabilities and parametric knowledge of LLMs to search for diverse sources, select ecologically valid tasks, and synthesize accurate task instructions and code solutions. Using our pipeline, we construct AutoSDT-5K, a dataset of 5,404 coding tasks for data-driven discovery that covers four scientific disciplines and 756 unique Python packages. To the best of our knowledge, AutoSDT-5K is the only automatically collected and the largest open dataset for data-driven scientific discovery. Expert feedback on a subset of 256 tasks shows the effectiveness of AutoSDT: 93% of the collected tasks are ecologically valid, and 92.2% of the synthesized programs are functionally correct. Trained on AutoSDT-5K, the Qwen2.5-Coder-Instruct LLM series, dubbed AutoSDT-Coder, show substantial improvement on two challenging data-driven discovery benchmarks, ScienceAgentBench and DiscoveryBench. Most notably, AutoSDT-Coder-32B reaches the same level of performance as GPT-4o on ScienceAgentBench with a success rate of 7.8%, doubling the performance of its base model. On DiscoveryBench, it lifts the hypothesis matching score to 8.1, bringing a 17.4% relative improvement and closing the gap between open-weight models and GPT-4o.

cs.LG↗

arXiv2025

Personalized Graph-Based Retrieval for Large Language Models

As large language models (LLMs) evolve, their ability to deliver personalized and context-aware responses offers transformative potential for improving user experiences. Existing personalization approaches, however, often rely solely on user history to augment the prompt, limiting their effectiveness in generating tailored outputs, especially in cold-start scenarios with sparse data. To address these limitations, we propose Personalized Graph-based Retrieval-Augmented Generation (PGraphRAG), a framework that leverages user-centric knowledge graphs to enrich personalization. By directly integrating structured user knowledge into the retrieval process and augmenting prompts with user-relevant context, PGraphRAG enhances contextual understanding and output quality. We also introduce the Personalized Graph-based Benchmark for Text Generation, designed to evaluate personalized text generation tasks in real-world settings where user history is sparse or unavailable. Experimental results show that PGraphRAG significantly outperforms state-of-the-art personalization methods across diverse tasks, demonstrating the unique advantages of graph-based retrieval for personalization.

cs.CL↗