#01Nov 10, 2026
cs.AI
ReTrace: Distilling Tool-Using Agents into Planner-Free Workflows
Kaiyuan Hou, Yang Ping Kuo, Indranil Bhattacharya and 6 more
Business process automation runs the same Standard Operating Procedure (SOP) again and again on new inputs. Large Language Model (LLM) agents can follow an SOP written in natural language, but they call an LLM to choose every step of every run, which adds latency and cost at scale. We present ReTrace, which turns an SOP and a few logged agent runs into a reusable workflow in which code, not an LLM, selects the next step. The agent's reasoning, the explanation it writes with each tool call, often states why it took an action; the tool calls alone do not. ReTrace extracts the condition behind each step, merges these conditions across runs into a compact rule document, and generates an executable workflow from it. Only this last stage depends on the platform, so rule documents can be compiled for different orchestration platforms. On $79$ procedures from our production platform, ReTrace workflows reach $93.8\%$ completion, against $96.8\%$ for the agent, at $24\%$ lower cost per task. On $τ^2$-Bench, they reach $75.8\%$ task success (agent: $80.6\%$) and run in $1.3$s instead of $170$s; three rounds of repair on training failures lift $k{=}2$ workflows from $66.7\%$ to $81.2\%$. On eight SOP-Bench procedures, ReTrace without repair trails few-shot generation ($80.6\%$ vs. $83.6\%$), but repair from labeled training failures lifts it to $87.8\%$ at $0.40$s per task, compared to $85.5\%$ in $46.6$s for the agent.
#02Nov 10, 2026
cs.LG
Pyrite: Building and Benchmarking Protein-Ligand Pose Ranking Agents
Megha Srivastava, Michael H. Lim, Allison M. Keys and 2 more
Predicting how a ligand binds to its target is central to small-molecule drug discovery. Modern cofolding models can generate diverse candidate poses, but reliably ranking these candidates remains challenging. We introduce Pyrite, a pairwise pose-ranking benchmark comprising 1,500 pose pairs across diverse protein-ligand complexes. Expert chemists equipped with 3D visualization tools and physics-based scores perform near chance, highlighting the difficulty of interpreting available chemical signals. To investigate automated ranking, we introduce PyriteRep, a structured representation of molecular geometry, protein-ligand interactions, and physicochemical scores, and develop two LLM-based agents: PyriteReasoner, which directly compares poses through text-based reasoning, and PyriteFeaturizer, which generates executable code to construct features for logistic regression, optionally incorporating features derived from LLM subcalls. These agents achieve up to 67% and 74% accuracy, respectively, exceeding observed expert performance. LLM-guided feature discovery generally outperforms direct reasoning, while Group Relative Policy Optimization (GRPO) improves open-weight models, enabling them to match or surpass closed-source frontier models in our evaluations. These results establish Pyrite as a challenging test of pose-ranking ability and highlight LLM-guided feature discovery as a promising approach to interpret and combine the outputs of computational chemistry tools.
#03Nov 10, 2026
cs.AI
Re-Search: Dissecting LLM Ideation Through a Two-Player Questioning Game
Muhan Gao, Hangxiao Zhu, Xinqi Su and 3 more
Research ideation is iterative: researchers refine their ideas step by step based on feedback. Yet existing evaluations obscure this search process, making it difficult to understand how LLMs explore the space of research ideas and what limits their progress. We introduce Re-Search, which adapts the format of Twenty Questions to research ideation: given only the research problem of a published paper, a model must rediscover the paper's core idea by asking yes-or-no questions. Built from 200 ICML 2026 papers, Re-Search tracks how a model's idea evolves as it asks questions and receives binary oracle feedback, isolating ideation from execution. Across six recent LLMs, nearly all progress happens within the first 30 of 100 questions, which largely decide how the game ends; after that, most models plateau. Through controlled interventions on the candidate questions and the hypothesis space, we find that the bottleneck is generation, not judgment: models recognize a good idea or a good question when one is offered, but often cannot produce it on their own. We further analyze the ideation traces and find that models fail by either over-exploiting one direction or over-exploring too many. These findings point to concrete design principles for autoresearch systems: since models can judge candidates they cannot produce, enriching the search with externally sourced ideas and questions may be more effective than improving any single model's generation ability.
#04Nov 10, 2026
cs.LG
TimeSeek: Multi-Task and Multi-Domain Pretraining for Generalized Time Series Analytics
Peng Chen, Yihang Wang, Zhongwen Rao and 6 more
Time series analytics has been widely applied across various domains. While existing time series foundation models (TSFMs) have demonstrated promising results, they still face two major challenges: 1) Most TSFMs mainly rely on stacking Transformer layers to increase parameter size, lacking the ability to adaptively model complex time series patterns from multi-domain data. 2) Current TSFMs are primarily pre-trained for specific tasks, e.g., forecasting or anomaly detection, and a few models support multiple tasks, but they fail to fully leverage task specificity and commonality, resulting in suboptimal performance. To address these challenges, we propose TimeSeek, a novel generalized time series analytics model that adaptively models time series patterns from multi-domain data and unifies multiple tasks in pre-training. Conceptually, TimeSeek is guided by selective information sharing under domain and task heterogeneity. From the perspective of multi-domain data, we propose a Multi-Domain Feature Extractor that adaptively captures temporal dependencies and channel correlations based on domain-specific characteristics, including progressive multi-scale modeling and adaptive slot channel modeling. From the perspective of the diversity of tasks, we propose multi-task collaborative training, which leverages task specificity and task commonality through task customization and cross-task training, effectively unifying multiple tasks in pre-training and better adapting to diverse downstream scenarios. After pre-training on large-scale time series data, TimeSeek achieves state-of-the-art performance in forecasting, anomaly detection, and classification tasks across both few-shot learning and zero-shot situations, together with favorable inference efficiency.
#05Nov 10, 2026
cs.CL
Pterodactyl: Pushing the Limits of Efficient Automated Translation Evaluation
Evelyn Y. Garland, Carola F. Berger
In this paper, we present 1020 Group's submission to the WMT26 shared task on automated quality evaluation. Our system, Pterodactyl, was engineered specifically for subtasks 2 and 3, that is, segment-level quality score prediction and the detection of error-free segments. Pterodactyl is a highly customizable, ultra-low cost system optimized for binary classification in translation triage and data curation. It is based on an LLM-as-a-judge approach, with prompt engineering and model selection guided by ROC analysis. We also developed several variants of Pterodactyl that were specifically adapted for subtasks 3.