#01Nov 10, 2026
cs.LG
Emergent Biological Capabilities in a Foundation Model for Molecular Interactions
Adi Mashiach
Foundation models trained on large unlabeled corpora develop emergent capabilities, tasks that go beyond the training objective. We extend this paradigm to multimodal biology with Bonbon, a foundation model for molecular interactions trained on approximately 3.2 trillion tokens of paired protein-ligand sequences. From a single representation space, Bonbon exhibits three zero-shot emergent capabilities at hierarchical levels of resolution: functional (mechanism of action), residue (binding site localization, including orthosteric/allosteric discrimination), and bond (covalent versus non-covalent engagement). All three capabilities generalize to out-of-distribution complexes. Bonbon was trained on protein-ligand sequences alone, without any task-specific supervision and without structural coordinates. We conducted controlled scaling experiments across six model scales from 42M to 1.6B parameters; every capability evaluated shows a sharp jump at the largest scale on continuous metrics, even as pretraining loss decreases smoothly. This demonstrates that loss-based scaling laws alone are insufficient to predict when zero-shot emergent capabilities become available. The capabilities reported here emerge after training at a 1:2,000 parameter-to-token ratio to accommodate the sparsity of paired biological interaction data. The same frozen representations achieve state-of-the-art binding and affinity prediction at five orders of magnitude greater speed than co-folding methods. In prospective wet-lab validation across nine disease targets spanning seven protein families, Bonbon achieves a 61.5% dose-response hit rate on de novo compounds, yielding structurally novel molecules not previously reported to inhibit these proteins, including for out-of-distribution targets.
#02Nov 10, 2026
cs.CV
BoviShift: A Six-Year Multi-Attribute Audit of Visual Cattle Phenotyping Across Animals and Time
Mobasshir Bhuiya Shagor, Nilambar Halder Tonmoy, Md Saef Ullah Miah
Computer vision offers a scalable, non-contact means of estimating livestock traits, but correlated images and video frames make reliable evaluation difficult. Image-random splitting can place views of the same animal in both training and test sets, while deployment further requires transfer to animals captured in future years. We introduce BoviShift, a corpus reconstructed from six consecutive annual cohorts of an operational cattle marketplace collected from 2021 to 2026. It contains 2{,}657 cattle, 10{,}610 still images, and 2{,}566 walk-around videos across nine recorded breed categories. We evaluate three splitting strategies through four configurations: image-random and pooled cattle-disjoint splits over the same development cohorts, followed by separate future-2025 and locked future-2026 evaluations. Using a fixed ResNet-50 multi-task baseline, we assess weight, age, height, breed, and coat color. Differences between image-random and cattle-disjoint splitting are task-dependent rather than a universal leakage penalty. Future-cohort behavior is also attribute- and cohort-specific: breed declines relative to pooled evaluation; mean weight and age performance fails to beat constant baselines in 2025; height remains above baseline; and color transfers well to 2025 but degrades in 2026. Multi-task training improves all five point estimates in a single-seed ablation, still-view aggregation helps selectively, and zero-shot video-frame aggregation exposes a still-to-video domain gap. To our knowledge, BoviShift is the longest-spanning cattle-vision resource combining consecutive annual cohorts with physical and visual attributes.
#03Nov 10, 2026
cs.AI
Comparative Analysis of Agent Evaluation Frameworks: Stability, Detection, and Discovery in Enterprise Analytics Agents
Howard Zhang, Chuck Arvin, Logan Brown and 3 more
Deploying LLM-based analytics agents in enterprise settings requires evaluation frameworks that can reliably detect failures across complex, multi-tool workflows. We present a three-phase comparative study of three evaluation frameworks, each representing a distinct evaluation paradigm (trace-based LLM judging, text-only LLM judging with red-teaming, and deterministic heuristics), applied to two analytics agents in a controlled research setting using frozen execution traces. Phase 1 quantifies evaluation harness stability through repeated measurements, finding that 97% of configurations meet the stability threshold and that stability patterns are agent-independent. Phase 2 measures known risk detection on 72 ground-truth test cases, where the trace-based framework achieves the best precision-recall balance (F1=0.90) while text-only evaluation matches on recall but generates 5x more false alarms. Phase 3 evaluates unknown risk discovery, uncovering 24 novel failures with zero overlap between functional testing and security red-teaming. Our results demonstrate that (1) the information available to the evaluation harness determines evaluation quality, (2) functional and security evaluation are complementary, and (3) LLM-based evaluation harnesses surface subtle errors that human reviewers miss. We recommend a two-framework strategy: trace-based evaluation for functional assessment and adversarial red-teaming for security validation.
#04Nov 10, 2026
cs.AI
Contrastive Discovery: Open-Ended Scientific Discovery over Competing Explanations
Ziang Liu, James J. Kim, Yijia Dai and 1 more
LLM agents are increasingly used for open-ended, data-driven scientific discovery, yet most of them evaluate hypotheses pointwise, testing an empirical claim $h$ only against its complement $\neg h$. When evidence rejects $h$, the agent learns that one explanation is unlikely but not which alternative the evidence supports. To recover that alternative, we introduce Contrastive Discovery, which replaces the single hypothesis with a contrast set, a scientific question paired with mutually exclusive and collectively exhaustive competing explanations. Each experiment is scored by how its evidence redistributes belief across the set, and the question is resolved when belief concentrates on one explanation. Because contrast sets change only the unit an agent proposes and scores, an existing agent can use them to re-evaluate evidence it has already collected or to guide its search. Across six domains, $89\%$ of the pointwise candidates with the largest belief shifts are rejections. On the same evidence, contrast sets resolve $73\%$ of these candidates to a specific alternative. When contrast sets guide search, the agent resolves $67\%$ more questions than pointwise surprisal under the same experiment budget. In a blinded study, $38$ human experts chose the same explanation on $78\%$ of resolved questions and on $82\%$ of questions where the pointwise agent rejected its hypothesis and stopped. Together, these results support explicit competing explanations as a way for discovery agents to resolve more scientific questions from the same evidence and validation budget.
#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.