#01Aug 7, 2026
cs.MA
Strategy-first synthesis planning for complex natural products
Daniel Armstrong, Xuan-Vu Nguyen, Octavian Susanu and 15 more
The total synthesis of a complex molecule is among the most demanding intellectual and experimental feats in chemistry: a chemist must plan many steps ahead for how to assemble simple building blocks into an intricate target, devise backup strategies, and anticipate procedural challenges. It is also a profoundly creative activity. For half a century, efforts to automate the retrosynthetic design of natural products and other complex molecules have drawn on catalogued reactions, and the resulting tools now report near-complete success on benchmarks built from that same source. But these tools were shaped to fit benchmarked chemistry, and they falter on many natural products, the frontier of the field, whose densely functionalized, polycyclic architectures demand precisely the inventive chemistry the record contains least. Whether a machine could reasonably design such syntheses like an expert chemist does has remained unclear. Here, we show that SynthEx, an agentic framework built on large language models, plans routes to complex natural products that lie beyond the reach of conventional design algorithms. SynthEx proposes competing strategies, assembles a sequence of routine and key steps into a cohesive route, and critiques and improves its own design; the chemistry it favours is more convergent than existing tools produce, and spans a region of reaction space that catalogue-based tools cannot match. Most notably, in blinded assessments, expert chemists judged its key steps comparable to those of published human syntheses and engaged with them as genuine synthesis plans, a response algorithmic route prediction has not previously accomplished. We release routes to more than a thousand natural products as SynthAtlas, an open, interactive database, and anticipate it will become a shared resource for a collection of complex target molecules that lack existing literature routes.
#02Aug 7, 2026
cs.AI
Curriculum as Code: An AI-Assisted Architecture for Instructional Design in STEM Education
Henrique Mohallem Paiva
Contribution: This paper presents a six-phase AI-assisted instructional design architecture based on the Curriculum as Code paradigm, integrating Generative AI with LaTeX and Python to automate the creation of reproducible, visually consistent, and technically precise materials for STEM education. Background: Creating customized instructional materials for active learning imposes a heavy workload on faculty. Standard presentation tools lack robust support for technical content, while current AI applications often hallucinate and fail to formalize the instructional authoring process, limiting their utility for rigorous academic design. Intended Outcomes: The framework aims to reduce preparation time while ensuring mathematical accuracy, adherence to institutional visual identity, and preservation of the instructor's tacit pedagogical knowledge through explicit rules. Application Design: The solution comprises a six-phase pipeline that replaces ad-hoc prompt engineering with a systematic workflow, utilizing text-based interfaces and code-driven generation (LaTeX/Beamer for slides, Python for figures), governed by pedagogical constraints, contextual calibrations, and automated review cycles. Findings: Validated over one year across 8 modules and 28 project contexts in a Project-Based Learning environment, the architecture significantly reduced instructor workload. Generated assets underwent independent peer review and were deployed by six different faculty members, confirming scalability beyond a single author. Based on over 600 voluntary student evaluations, materials achieved high quality ratings from 8.5 to 9.9/10. Results indicate high reproducibility, minimized hallucinations, and sustained pedagogical and visual fidelity, suggesting viability for broad STEM educational applications.
#03Aug 7, 2026
cs.AI
SkillProx: Self-Evolving Agent Skills via Proximal Textual Gradient Descent
Mingxuan Zheng, Yujin Zhou, Chuxue Cao and 6 more
LLM agents increasingly adapt to recurring tasks by accumulating procedural knowledge in skills. These skills are lightweight, reusable textual artifacts that are loaded into the agent's context without weight updates. Recent methods refine skills through iterative task execution, failure diagnosis, and trajectory-guided text-space updates. However, existing frameworks lack explicit diagnosis--outcome feedback and treat deletion as a generic edit operation rather than a dedicated mechanism for consolidating accumulated knowledge. We introduce SkillProx, a proximal-gradient-inspired forward--backward framework that couples closed-loop diagnostic evolution with utility-aware proximal refinement. Motivated by a composite objective balancing task loss and skill complexity, the forward stage re-executes diagnosis-driven edits on the same task batch, rolls back regressions, and feeds measured outcomes into subsequent diagnoses. The backward stage decomposes the resulting skill into auditable knowledge units, estimates their contributions using a frozen leave-one-out utility audit, and applies validation-gated consolidation, demotion, or removal. Experiments on in-distribution and out-of-distribution benchmarks across multiple backbone LLMs show that SkillProx improves average accuracy by 3.0 percentage points over the strongest gradient-based baseline. Component ablations demonstrate the complementary effects of closed-loop diagnosis and proximal refinement.
#04Aug 7, 2026
cs.CV
GeoDistill-Refine: Silhouette-First Geometry Distillation for Annotation-Free Spacecraft Segmentation
Yonglong Zhang, Zongwu Xie, Yang Liu
Foundation segmentation models can provide supervision for spacecraft imagery without manual training masks, but their predictions vary with textual prompts and may contain geometric errors that are amplified during distillation. This paper presents GeoDistill-Refine, a two-stage framework that transfers offline SAM 3 pseudo-masks to a compact segmentation network. Six fixed prompts are fused by an unweighted 50% vote to stabilize the teacher output. The student first learns the foreground silhouette and is then refined with signed-distance-field, skeleton, and area objectives derived from the pseudo-mask. A sample-level gate, computed from prompt agreement, the valid-prompt ratio, and pseudo-mask area plausibility, reduces the influence of unreliable pseudo-geometry. On the SpaceSense-Bench HJM lockbox set, GeoDistill-Refine improves Image IoU and Boundary F1 by 0.0456 and 0.1380, respectively, over a plain pseudo-label student. External evaluations on the SPEED+ Lightbox and Sunlamp domains and on TANGO show competitive regional overlap together with gains in boundary quality or foreground precision. The deployed TinyUNet contains 0.263 M parameters and requires approximately 1.1 ms per image on an RTX 4090; SAM 3 pseudo-mask construction and the auxiliary geometry branches are used only during training.
#05Aug 7, 2026
cs.AI
PsychoAgent: An Affect-Sensitive Cognitive Architecture for Conflict-Aware Memory in LLM Agents
Mohammad Amanlou, Parham Abed Azad, Farbod Davoodi and 3 more
Human-like cognition does not select past experience by topical similarity alone: affective significance and unresolved conflict also shape what becomes accessible. We present PsychoAgent, a cognitive architecture for LLM agents that separates factual and affective memory and integrates both through a conflict-aware executive controller. Affective memories are first filtered by semantic relevance and then re-ranked by salience, preserving topical fit while allowing emotionally important traces to enter the prompt. Across three controlled conflict scenarios, the full architecture retrieved more conflict-critical memories than semantic-affective and single-memory RAG baselines (0.933 vs. 0.500 and 0.667), with a small semantic-similarity cost. Five blinded raters evaluated 27 outputs. After within-rater standardization, the full architecture had the highest overall mean (+0.22 SD), but corrected pairwise differences were not significant. A three-day illustrative trace further shows persistent affect, offline memory recombination, and selective memory reweighting. The findings support affect-sensitive retrieval as an inspectable mechanism for modeling human-like conflict effects in LLM agents.