#01Aug 31, 2026
cs.CL
Learning to Evaluate Before Improving: Automatic Rubric Induction for Automatic Research Agents
Xuehai Wang, Haowei Qin, Tongxin Liu and 6 more
Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experimentation, and report generation. However, open-ended research tasks often do not clearly specify the analyses, methods, and success criteria required to complete the task. As a result, agents may miss important analyses, use inappropriate methods, or draw conclusions that are insufficiently supported by evidence. To address the problem, we present AutoSciRub, an evaluation-first framework that induces a task-specific executable rubric before research execution, and uses it to guide execution, criterion-level verification as well as iterative revision. AutoSciRub decomposes an underspecified instruction into atomic scientific goals, grounds them in relevant literature and task-visible data, and synthesizes specific, actionable, and verifiable criteria. The resulting rubric makes implicit experimental and evidential requirements explicit, providing guidance for experiments and analyses. During revision, rubric-guided verification identifies unmet criteria and enables targeted refinement of the research report and its supporting artifacts. On ResearchClawBench, AutoSciRub consistently improves all tested configurations, with an average gain of 2.08 points across three backbone LLMs under the fixed Codex harness and 2.95 points across three agent harnesses using a fixed DeepSeek-V4-Flash backbone. On a randomly sampled 20-task subset of AstaBench E2E Discovery, AutoSciRub further achieves an average improvement of 16.8 points across three agent harnesses, while maintaining or increasing the number of successfully completed tasks. These results demonstrate that evaluation-first guidance provides an effective and generalizable control mechanism for autonomous scientific research (Code: https://github.com/zjunlp/AutoSciRub).
#02Aug 31, 2026
cs.LG
Language-Informed Flow Matching for Trend-Guided Structure-Based 3D Molecular Generation
Tianyu Gao, Zhikai Su, Jiashu Li and 5 more
Structure-based drug design (SBDD) requires ligands that satisfy both 3D target affinity and 1D chemical validity. Existing controllable generation methods often rely on task-specific fine-tuning or externally imposed sampling-time guidance, adding cost and potentially conflicting with evolving 3D geometric constraints. We propose LiFT, a language-informed cross-modal framework built on Flow Matching for trend-guided 3D molecular generation across both de novo design and scaffold hopping. LiFT uses a "Sense-Evolve-Assemble" agent to generate target-aware SMILES as intermediate chemical conditions, from which a pre-trained chemical foundation model extracts continuous semantic priors. These priors are integrated into geometric generation through a lightweight semantic projector with zero-initialized adaptive normalization for stable cross-modal conditioning. We further introduce a Self-Conditioned Decoupled Router (SCDR), which modulates the velocity field according to intermediate structural states during ODE integration. Experiments on Cross-Docked2020 show that LiFT achieves competitive distribution matching while improving medicinal chemistry metrics and maintaining competitive structural validity under task-steering settings without additional generator fine-tuning. Our results suggest that language-derived chemical priors provide effective trend-level guidance for 3D molecular generation. Code and released artifacts are available at https://github.com/kasurl/LiFT.
#03Aug 31, 2026
cs.CV
One Adapter, Many Tasks: Task-Conditioned Feature Transformations for Continual Learning
Yunxiang Fu, Meng Lou, Yizhou Yu
Class-incremental learning (CIL) requires a model to incrementally learn tasks that contain new classes without accessing earlier training data while preserving the ability to recognize all seen classes. Recently, pretrained-model-based approaches have become prevalent by adapting a frozen backbone with additional lightweight trainable modules. Existing methods, however, exhibit limitations: task-specific adapters learn explicit per-task representations but are parameter- and computation-inefficient, while LoRA-based merging methods combine per-task LoRA parameters into a single model whose static aggregated weights cause representation interference during inference. To address these problems, we present \textbf{FACET}: task-conditioned \textbf{F}e\textbf{A}ture transformation with \textbf{C}ondition\textbf{E}d feature consis\textbf{T}ency, achieving excellent parameter efficiency while producing highly discriminative features during inference. When continually trained on a task sequence, FACET learns a single shared adapter that employs a dynamic task-conditioned feature transformation, shaping the overall feature distribution of the adapter into a mixture of overlap-reduced task-specific components. On the other hand, we propose an efficient replay-free task-conditioned feature consistency loss, aiming to mitigate catastrophic forgetting of the learned mixture distribution in the adapter's feature space. Even when maintaining only a single adapter, FACET demonstrates robust scalability. On both very long task sequences (e.g., 200 tasks) and standard short task sequences (e.g., 20 tasks), our method achieves superior performance while using significantly fewer trainable parameters and GFLOPs. The code will be made open source upon acceptance.
#04Aug 31, 2026
cs.SE
LLM Post-Training as Brownfield Maintenance: An Industrial Perspective on Dataware Engineering
Gopi Krishnan Rajbahadur, Amir M. Ebrahimi, Boyuan Chen and 1 more
Industrial post-training is a brownfield regime. Teams inherit a deployed checkpoint and must land targeted improvements under fixed compute and mixture budgets without regressing the rest. The maintained artifact is increasingly dataware: behavior governed by a curated post-training mixture, updated via bounded mixture patches rather than clean-slate retraining. From an industrial code-generation improvement effort, we offer a maintainer's perspective on why this work is hard in practice, distilling three recurring challenges, zero-sum mixture design, yield as the binding metric, and end-to-end integration under uncertainty, and arguing that progress depends less on one-off recipes than on an engineering discipline for programming dataware. In our case study, interventions that raised the conversion of teacher distillation into usable training data increased accepted supervision by 2.84 times while using the same solution teacher and four solution attempts per candidate problem. In our primary evaluation, the yield-engineered patch improved CodeForces pass@1 by +2.59 points (+3.11 pass@3) and held-out LiveCodeBench v6 pass@1 by +6.11 (+8.05 pass@3), all statistically significant across 16 stochastic evaluations of each benchmark from one fixed checkpoint per condition, with internal AIME and MATH regression suites within tolerance.
#05Aug 31, 2026
cs.LG
TSPFN: A Temporal Tabular Foundation Model for Physiological Time Series Classification
Jérémie Stym-Popper, Clément Rambour, Federica Granese and 2 more
Designing models that generalize effectively in low- to medium-data regimes remains a primary challenge in medical machine learning, particularly for physiological time-series classification. While tabular foundation models such as TabPFN offer an attractive alternative to conventional fine-tuning through in-context learning, they are not designed to capture the temporal dependencies inherent to physiological signals. ~In this paper, we introduce TSPFN, a foundation model that redesigns TabPFN's architecture for time series data. TSPFN integrates structured temporal representations and positional embeddings to capture intra-sample temporal and channel dependencies. To fully leverage its spatio-temporal design, the model is pretrained on 140,000 real-world physiological time series across multiple medical domains. This yields a unified, generalizable framework capable of learning the specificities of medical time series. Experiments across diverse physiological benchmarks demonstrate that TSPFN consistently outperforms standard tabular baselines and TabPFN, and achieves superior cross-domain generalization compared to specialized deep time-series models. All our experiments, ablation studies, and pre-processing scheme are publicly available at https://github.com/Jeremstym/TSPFN