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Researcher profile

Daniel Khashabi

Daniel Khashabi contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Computation and LanguageArtificial IntelligenceMachine LearningComputer VisionSoftware Engineering

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Published work

15 published item(s)

preprint2026arXiv

Can Coding Agents Reproduce Findings in Computational Materials Science?

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational scientific workflows, where tasks require not only strong coding ability, but also the ability to navigate complex, domain-specific procedures and to interpret results in the context of scientific claims. To address this question, we present AutoMat, a benchmark for evaluating LLM-based agents' ability to reproduce claims from computational materials science. AutoMat poses three interrelated challenges: recovering underspecified computational procedures, navigating specialized toolchains, and determining whether the resulting evidence supports a claim. By working closely with subject matter experts, we curate a set of claims from real materials science papers to test whether coding agents can recover and execute the end-to-end workflow needed to support (or undermine) such claims. We then evaluate multiple representative coding agent settings across several foundation models. Our results show that current LLM-based agents obtain low overall success rates on AutoMat, with the best-performing setting achieving a success rate of only 54.1%. Error analysis further reveals that agents perform worst when workflows must be reconstructed from paper text alone and that they fail primarily due to incomplete procedures, methodological deviations, and execution fragility. Taken together, these findings position AutoMat as both a benchmark for computational scientific reproducibility and a tool for diagnosing the current limitations of agentic systems in AI-for-science settings.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

How to Interpret Agent Behavior

Autonomous agents such as Claude Code and Codex now operate for hours or even days. Understanding their runtime behavior has become critical for downstream tasks such as diagnosing inefficiencies, fixing bugs, and ensuring better oversight. A primary way to gain this understanding is analyzing the reasoning trajectories and execution traces these agents generate. Yet such data remains in unstructured natural-language form, making it difficult for humans to interpret at scale. We introduce ACT*ONOMY (a combination of Action and Taxonomy), a taxonomy for describing and analyzing agent behavior at runtime. ACT*ONOMY has two components: (1) the taxonomy itself, developed through Grounded Theory and structured as a three-level hierarchy of 10 actions, 46 subactions, and 120 leaf categories; and (2) an open repository that hosts the living taxonomy, provides an automated analysis pipeline that applies it to agent trajectories analysis, and defines an extension protocol for customization and growth. Our experiments show that ACTONOMY can compare behavioral profiles across agents and characterize a single agent's behavior across diverse trajectories, surfacing patterns indicative of failure modes. By providing a shared vocabulary, ACT*ONOMY helps researchers, agent designers, and end users interpret agent behavior more consistently, enabling better oversight and control.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Cross-Task Generalization via Natural Language Crowdsourcing Instructions

Humans (e.g., crowdworkers) have a remarkable ability in solving different tasks, by simply reading textual instructions that define them and looking at a few examples. Despite the success of the conventional supervised learning on individual datasets, such models often struggle with generalization across tasks (e.g., a question-answering system cannot solve classification tasks). A long-standing challenge in AI is to build a model that learns a new task by understanding the human-readable instructions that define it. To study this, we introduce NATURAL INSTRUCTIONS, a dataset of 61 distinct tasks, their human-authored instructions, and 193k task instances (input-output pairs). The instructions are obtained from crowdsourcing instructions used to create existing NLP datasets and mapped to a unified schema. Using this meta-dataset, we measure cross-task generalization by training models on seen tasks and measuring generalization to the remaining unseen ones. We adopt generative pre-trained language models to encode task-specific instructions along with input and generate task output. Our results indicate that models benefit from instructions when evaluated in terms of generalization to unseen tasks (19% better for models utilizing instructions). These models, however, are far behind an estimated performance upperbound indicating significant room for more progress in this direction.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Hey AI, Can You Solve Complex Tasks by Talking to Agents?

Training giant models from scratch for each complex task is resource- and data-inefficient. To help develop models that can leverage existing systems, we propose a new challenge: Learning to solve complex tasks by communicating with existing agents (or models) in natural language. We design a synthetic benchmark, CommaQA, with three complex reasoning tasks (explicit, implicit, numeric) designed to be solved by communicating with existing QA agents. For instance, using text and table QA agents to answer questions such as "Who had the longest javelin throw from USA?". We show that black-box models struggle to learn this task from scratch (accuracy under 50\%) even with access to each agent's knowledge and gold facts supervision. In contrast, models that learn to communicate with agents outperform black-box models, reaching scores of 100\% when given gold decomposition supervision. However, we show that the challenge of learning to solve complex tasks by communicating with existing agents \emph{without relying on any auxiliary supervision or data} still remains highly elusive. We release CommaQA, along with a compositional generalization test split, to advance research in this direction. Dataset and Code available at https://github.com/allenai/commaqa.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Prompt Waywardness: The Curious Case of Discretized Interpretation of Continuous Prompts

Fine-tuning continuous prompts for target tasks has recently emerged as a compact alternative to full model fine-tuning. Motivated by these promising results, we investigate the feasibility of extracting a discrete (textual) interpretation of continuous prompts that is faithful to the problem they solve. In practice, we observe a "wayward" behavior between the task solved by continuous prompts and their nearest neighbor discrete projections: We can find continuous prompts that solve a task while being projected to an arbitrary text (e.g., definition of a different or even a contradictory task), while being within a very small (2%) margin of the best continuous prompt of the same size for the task. We provide intuitions behind this odd and surprising behavior, as well as extensive empirical analyses quantifying the effect of various parameters. For instance, for larger model sizes we observe higher waywardness, i.e, we can find prompts that more closely map to any arbitrary text with a smaller drop in accuracy. These findings have important implications relating to the difficulty of faithfully interpreting continuous prompts and their generalization across models and tasks, providing guidance for future progress in prompting language models.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Reframing Instructional Prompts to GPTk's Language

What kinds of instructional prompts are easier to follow for Language Models (LMs)? We study this question by conducting extensive empirical analysis that shed light on important features of successful instructional prompts. Specifically, we study several classes of reframing techniques for manual reformulation of prompts into more effective ones. Some examples include decomposing a complex task instruction into multiple simpler tasks or itemizing instructions into sequential steps. Our experiments compare the zero-shot and few-shot performance of LMs prompted with reframed instructions on 12 NLP tasks across 6 categories. Compared with original instructions, our reframed instructions lead to significant improvements across LMs with different sizes. For example, the same reframed prompts boost few-shot performance of GPT3-series and GPT2-series by 12.5% and 6.7% respectively averaged over all tasks. Furthermore, reframed instructions reduce the number of examples required to prompt LMs in the few-shot setting. We hope these empirically-driven techniques will pave the way towards more effective future prompting algorithms.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Time Waits for No One! Analysis and Challenges of Temporal Misalignment

When an NLP model is trained on text data from one time period and tested or deployed on data from another, the resulting temporal misalignment can degrade end-task performance. In this work, we establish a suite of eight diverse tasks across different domains (social media, science papers, news, and reviews) and periods of time (spanning five years or more) to quantify the effects of temporal misalignment. Our study is focused on the ubiquitous setting where a pretrained model is optionally adapted through continued domain-specific pretraining, followed by task-specific finetuning. We establish a suite of tasks across multiple domains to study temporal misalignment in modern NLP systems. We find stronger effects of temporal misalignment on task performance than have been previously reported. We also find that, while temporal adaptation through continued pretraining can help, these gains are small compared to task-specific finetuning on data from the target time period. Our findings motivate continued research to improve temporal robustness of NLP models.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Did Aristotle Use a Laptop? A Question Answering Benchmark with Implicit Reasoning Strategies

A key limitation in current datasets for multi-hop reasoning is that the required steps for answering the question are mentioned in it explicitly. In this work, we introduce StrategyQA, a question answering (QA) benchmark where the required reasoning steps are implicit in the question, and should be inferred using a strategy. A fundamental challenge in this setup is how to elicit such creative questions from crowdsourcing workers, while covering a broad range of potential strategies. We propose a data collection procedure that combines term-based priming to inspire annotators, careful control over the annotator population, and adversarial filtering for eliminating reasoning shortcuts. Moreover, we annotate each question with (1) a decomposition into reasoning steps for answering it, and (2) Wikipedia paragraphs that contain the answers to each step. Overall, StrategyQA includes 2,780 examples, each consisting of a strategy question, its decomposition, and evidence paragraphs. Analysis shows that questions in StrategyQA are short, topic-diverse, and cover a wide range of strategies. Empirically, we show that humans perform well (87%) on this task, while our best baseline reaches an accuracy of $\sim$66%.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

From 'F' to 'A' on the N.Y. Regents Science Exams: An Overview of the Aristo Project

AI has achieved remarkable mastery over games such as Chess, Go, and Poker, and even Jeopardy, but the rich variety of standardized exams has remained a landmark challenge. Even in 2016, the best AI system achieved merely 59.3% on an 8th Grade science exam challenge. This paper reports unprecedented success on the Grade 8 New York Regents Science Exam, where for the first time a system scores more than 90% on the exam's non-diagram, multiple choice (NDMC) questions. In addition, our Aristo system, building upon the success of recent language models, exceeded 83% on the corresponding Grade 12 Science Exam NDMC questions. The results, on unseen test questions, are robust across different test years and different variations of this kind of test. They demonstrate that modern NLP methods can result in mastery on this task. While not a full solution to general question-answering (the questions are multiple choice, and the domain is restricted to 8th Grade science), it represents a significant milestone for the field.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Think you have Solved Direct-Answer Question Answering? Try ARC-DA, the Direct-Answer AI2 Reasoning Challenge

We present the ARC-DA dataset, a direct-answer ("open response", "freeform") version of the ARC (AI2 Reasoning Challenge) multiple-choice dataset. While ARC has been influential in the community, its multiple-choice format is unrepresentative of real-world questions, and multiple choice formats can be particularly susceptible to artifacts. The ARC-DA dataset addresses these concerns by converting questions to direct-answer format using a combination of crowdsourcing and expert review. The resulting dataset contains 2985 questions with a total of 8436 valid answers (questions typically have more than one valid answer). ARC-DA is one of the first DA datasets of natural questions that often require reasoning, and where appropriate question decompositions are not evident from the questions themselves. We describe the conversion approach taken, appropriate evaluation metrics, and several strong models. Although high, the best scores (81% GENIE, 61.4% F1, 63.2% ROUGE-L) still leave considerable room for improvement. In addition, the dataset provides a natural setting for new research on explanation, as many questions require reasoning to construct answers. We hope the dataset spurs further advances in complex question-answering by the community. ARC-DA is available at https://allenai.org/data/arc-da

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Not All Claims are Created Equal: Choosing the Right Statistical Approach to Assess Hypotheses

Empirical research in Natural Language Processing (NLP) has adopted a narrow set of principles for assessing hypotheses, relying mainly on p-value computation, which suffers from several known issues. While alternative proposals have been well-debated and adopted in other fields, they remain rarely discussed or used within the NLP community. We address this gap by contrasting various hypothesis assessment techniques, especially those not commonly used in the field (such as evaluations based on Bayesian inference). Since these statistical techniques differ in the hypotheses they can support, we argue that practitioners should first decide their target hypothesis before choosing an assessment method. This is crucial because common fallacies, misconceptions, and misinterpretation surrounding hypothesis assessment methods often stem from a discrepancy between what one would like to claim versus what the method used actually assesses. Our survey reveals that these issues are omnipresent in the NLP research community. As a step forward, we provide best practices and guidelines tailored to NLP research, as well as an easy-to-use package called 'HyBayes' for Bayesian assessment of hypotheses, complementing existing tools.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

On the Possibilities and Limitations of Multi-hop Reasoning Under Linguistic Imperfections

Systems for language understanding have become remarkably strong at overcoming linguistic imperfections in tasks involving phrase matching or simple reasoning. Yet, their accuracy drops dramatically as the number of reasoning steps increases. We present the first formal framework to study such empirical observations. It allows one to quantify the amount and effect of ambiguity, redundancy, incompleteness, and inaccuracy that the use of language introduces when representing a hidden conceptual space. The idea is to consider two interrelated spaces: a conceptual meaning space that is unambiguous and complete but hidden, and a linguistic space that captures a noisy grounding of the meaning space in the words of a language---the level at which all systems, whether neural or symbolic, operate. Applying this framework to a special class of multi-hop reasoning, namely the connectivity problem in graphs of relationships between concepts, we derive rigorous intuitions and impossibility results even under this simplified setting. For instance, if a query requires a moderately large (logarithmic) number of hops in the meaning graph, no reasoning system operating over a noisy graph grounded in language is likely to correctly answer it. This highlights a fundamental barrier that extends to a broader class of reasoning problems and systems, and suggests an alternative path forward: focusing on aligning the two spaces via richer representations, before investing in reasoning with many hops.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Temporal Common Sense Acquisition with Minimal Supervision

Temporal common sense (e.g., duration and frequency of events) is crucial for understanding natural language. However, its acquisition is challenging, partly because such information is often not expressed explicitly in text, and human annotation on such concepts is costly. This work proposes a novel sequence modeling approach that exploits explicit and implicit mentions of temporal common sense, extracted from a large corpus, to build TACOLM, a temporal common sense language model. Our method is shown to give quality predictions of various dimensions of temporal common sense (on UDST and a newly collected dataset from RealNews). It also produces representations of events for relevant tasks such as duration comparison, parent-child relations, event coreference and temporal QA (on TimeBank, HiEVE and MCTACO) that are better than using the standard BERT. Thus, it will be an important component of temporal NLP.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

TransOMCS: From Linguistic Graphs to Commonsense Knowledge

Commonsense knowledge acquisition is a key problem for artificial intelligence. Conventional methods of acquiring commonsense knowledge generally require laborious and costly human annotations, which are not feasible on a large scale. In this paper, we explore a practical way of mining commonsense knowledge from linguistic graphs, with the goal of transferring cheap knowledge obtained with linguistic patterns into expensive commonsense knowledge. The result is a conversion of ASER [Zhang et al., 2020], a large-scale selectional preference knowledge resource, into TransOMCS, of the same representation as ConceptNet [Liu and Singh, 2004] but two orders of magnitude larger. Experimental results demonstrate the transferability of linguistic knowledge to commonsense knowledge and the effectiveness of the proposed approach in terms of quantity, novelty, and quality. TransOMCS is publicly available at: https://github.com/HKUST-KnowComp/TransOMCS.

0 citations0 reviewsNo code linkedOpen access