Papers for
biomedical data teams
Papers whose findings have a practical use for this group, as judged from the abstract. Open a paper to read what it means in practice.
AI identifies patterns in biomedical findings to suggest future discoveries
Learning Scientific Trajectories to Predict Future Biomedical Discoveries
Abstract: AI co-scientists have expanded the use of large language models for generating scientific hypotheses and guiding experimental investigation. Here we investigate whether temporal patterns in the semantic representations of complete biomedical conclusions can guide hypothesis generation. We introduce ForeSCITE, a framework that identifies thematic clusters of published conclusions, estimates a direction separating earlier from more recent findings within each cluster, and projects existing conclusion embeddings along these directions. An embedding language model trained to reconstruct conclusions decodes the projected coordinates into natural-language hypotheses. Across 407 clusters derived from approximately three million pre-cutoff conclusions, we identify temporal structure and illustrate its retention after decoding. In retrospective, time-sliced evaluations, ForeSCITE increases semantic coverage beyond the historical corpus, biomedical entity-pair novelty and post-cutoff pair re-observation relative to five prompt-based and retrieval-augmented baselines. Expert review of prioritized CAR-T hypotheses identified 37 candidates as both novel and biologically plausible, and expert justifications for five selected hypotheses illustrate their biological rationale and subsequent literature support where available. These findings support temporal guidance in semantic space as a scalable mechanism for proposing biomedical hypotheses for subsequent scientific evaluation.
GraphRAGProv tracks sources to explain graph query answers
GraphRAGProv: GraphRAG Meets How-Provenance
Abstract: GraphRAG systems often use knowledge graphs to retrieve relevant context for an LLM that produces the final answer. That makes answers more inscrutable and therefore less appealing for domains where transparency is paramount. We present GraphRAGProv, an architecture that executes SPARQL queries over source-grounded RDF graphs to compute answers and their how-provenance polynomials. These polynomials record which statement occurrences were used and how they were combined. Because each occurrence is linked to its source text, users can follow these links to check whether the extracted statements reflect the text and whether the query combines them to answer the question. Querying thereby becomes a way to inspect and evaluate the text-to-graph transformation. Our interactive demo examines 400 cases from two multi-hop QA benchmarks, revealing extraction and query errors even when the final answer is correct.
Agent benchmarks need identity blinding to fairly test reasoning
Identity or Evidence? Auditing Evidence Dependence in Agentic Life-Science Benchmarks
Abstract: Agentic life-science benchmarks give an agent evidence about a named entity and score an answer against a recorded outcome. That score tests reasoning over evidence only if the evidence, rather than the name, determines the answer. We examine this distinction by varying identity and evidence independently on a clinical-outcome benchmark and published tasks from Biomni and LAB-Bench. Blinding identity matters little when a prompt contains a decisive sequence or passage. It matters a great deal when the prompt is mostly a name and candidate list (0.742 named versus 0.082 blinded; chance 0.093). Across 96 LAB-Bench LitQA2 questions, the gap increases under one fixed passage-redaction scheme (+0.000 to +0.135; per-instance slope +0.147, p= 0.004). On the clinical benchmark, a no-evidence recall probe matches prediction accuracy and recovers a database-specific programme count. So, we argue that benchmarks intended to measure evidence-dependent reasoning should report identity-blinded results, retrieval telemetry, and positive controls.
Active learning improves conditional generative modeling for distributional data
Active Learning of Conditional Generative Models via the Transport Neural Tangent Kernel
Abstract: Many high-throughput scientific experiments produce distributional outputs, requiring conditional generative models to interpret the data, and to predict outcomes at new inputs. Acquiring experimental data at new conditions (e.g., for a new antigen or a new cell type) is often expensive, motivating the need for automated experimental design methods. However, existing active learning frameworks are limited as they assume scalar or vector-valued outputs. We first show that the Wasserstein test risk of a conditional generative task decomposes into a mean term and a shape term, demonstrating why mean-based active learning is blind to distributional shape. To capture both, we propose the transport Neural Tangent Kernel (tNTK), a tractable kernel that measures how sensitive a generative model's predicted distribution is with respect to its parameters. The tNTK recovers the standard NTK in the deterministic limit and upper-bounds the posterior Fréchet variance of the prediction under small parameter perturbations. It admits a closed-form expression for affine Gaussian transport and tractable Monte Carlo estimators otherwise. Treating the tNTK as the covariance function of a Gaussian process, we greedily select inputs that minimize the total GP posterior variance across the pool, yielding a distribution-aware active learning strategy. We evaluate this strategy across four classes of conditional generative models, including conditional flow matching and conditional Monge gap, on synthetic distributions, intent-labeled sentences, and single-cell perturbation responses. In these experiments, the tNTK outperforms the baseline NTK computed from the conditional mean, demonstrating the value of distribution-aware active learning for generative-modeling tasks.
Foundation models enable faster statistical inference with less computing
HIFI: A Highly Efficient Framework for Statistical Inference with Foundation Models
Abstract: Foundation models provide powerful representations for unstructured data, such as text and images, and parameter-efficient fine-tuning (PEFT) makes their adaptation to downstream tasks increasingly practical. For neural estimators that lack a tractable sampling distribution, resampling-based procedures offer a flexible route to statistical inference, but they often require hundreds of model fits, making them computationally prohibitive at foundation-model scale. We introduce HIFI, a two-stage fine-tuning framework for statistical inference on parameters such as conditional means. Stage 1 adapts a foundation model once on a larger sample, capturing the complex structure of the data and controlling estimation bias through a single fit. Stage 2 applies a resampling inference procedure to a smaller independent sample, concurrently fitting multiple lightweight PEFT estimators to the residual to quantify estimation variability without relearning the full task. HIFI accommodates a broad class of resampling procedures, including ensemble subsampling and the nonparametric bootstrap. Across vision and text experiments, HIFI scales to pretrained models ranging from tens of millions to more than ten billion parameters while providing accurate point estimates and well-calibrated confidence intervals across diverse architectures, and reduces training compute by up to 91.9% relative to direct resampling. An application to gene-expression inference illustrates the practical value of the framework for uncertainty-aware scientific inference.
Trajectory replay improves lifelong learning in generative models
Trajectory Replay: Continuous-Time Mixture Transport for Lifelong Generative Models
Abstract: Adapting pre-trained continuous-time generative models to sequentially incoming data without forgetting earlier tasks is a central challenge in lifelong learning. A leading strategy, generative replay, uses a generative model trained on historical tasks to augment its own continual update with synthetic samples from experience. However, it requires full trajectory simulations at every training step, which accumulate discretization errors and can degrade the replayed historical distribution. Here, we propose trajectory replay, which bypasses sample generation by training an updated velocity field to match both a frozen historical velocity along its trajectories and the incoming task's velocity field, weighted by a stability-plasticity coefficient. Through the lens of continuous-time transport, we show the resulting optimum averages the two task velocities by their respective densities and generates the mixture of their probability paths. Combined with mean velocity distillation, trajectory replay accesses historical trajectories using only a few network evaluations per continual update. Empirically, it outperforms generative replay and distillation baselines on class-incremental image generation. In two biological case studies, trajectory replay extends generative perturbation models to new contexts and experimental batches across two data modalities while preserving treatment-effect prediction.
Structured knowledge retrieval improves by co-adapting rules and search strategies
Co-adaptive Rule Routing and Constraining for Structured Knowledge Retrieval
Abstract: Structured knowledge retrieval acquires task-relevant evidence from structured knowledge sources for downstream tasks. Existing methods rely on unconstrained retrieval or predefined query-rule supervision, such as author-paper rules for scientific discovery and anatomy-drug rules for precision medicine. Such supervision is rarely available in practice. We propose Co-Adaptive Rule Routing and Constraining Retrieval (CoRE), which jointly learns which reasoning rule to assign to each query and how to retrieve evidence under that rule, without predefined query-rule pairs. A routing agent selects a rule, and its corresponding retriever traverses the knowledge base and ranks evidence that satisfies the rule's constraints. Because routing and retrieval are interdependent, CoRE alternates between reinforcement learning for the routing policy and contrastive learning for the rule-constrained retriever. The selected rules provide supervision for retriever training, while retrieval performance rewards the routing policy. This closed-loop process enables both components to co-adapt without explicit query-rule supervision. Experiments on STaRK-QA datasets across scientific discovery, biomedical reasoning, and e-commerce knowledge management demonstrate CoRE's effectiveness. Ablations show the benefit of co-adapting the router and retriever. Generation-based routing transfers across datasets and benefits from multi-domain pretraining followed by target-specific fine-tuning. Analysis of rule usage across queries also informs automatic rule refinement and discovery.
Scientific literature curation improved with verbal-action agent system
SciCurateBench: Curating Experimental Data from Heterogeneous Scientific Literature with Verbal-Action Agents
Abstract: Scientific research increasingly depends on curating experimental data from literature. Scientific data curation requires verifying exact experimental conditions (e.g., specific assays, clinical outcomes, and data availability) across long, heterogeneous files, which is a highly time-consuming process. Existing benchmarks evaluate only broad relevance on short queries, failing to capture this complexity. We introduce SciCurateBench, a benchmark of 200 expert-annotated papers from major life-science journals that challenges systems to verify conjunctive biological experimental criteria from raw, unprocessed scientific literature. We show that plain LLMs and popular reasoning, tool-using, and feedback-based agents all struggle with this task. To study what makes the task tractable, we further propose LangPoli, an integrative system in which a policy agent generates natural language action guidelines that actor agents convert into executable tools. LangPoli showed strong performance on both Paper Classification (83.16% F1 vs. 58.22% for its base LLM) and Structured Information Retrieval, and also improves re-ranking on the public benchmarks of LitSearch, BEIR, and TREC. We further explore curriculum transfer, a method that distills generalizable strategies from solved tasks to accelerate the solving of related problems. We hope this work facilitates research in truly practical scientific AI assistance. The anonymized pre-release can be found from https://anonymous.4open. science/r/scicuratebench-D885/.
Deep graph clustering improved by compactness and consistency framework
Compactness and Consistency: A Conjoint Framework for Deep Graph Clustering
Abstract: Graph clustering is a fundamental task in data analysis, aiming at grouping nodes with similar characteristics in the graph into clusters. This problem has been widely explored using graph neural networks (GNNs) due to their ability to leverage node attributes and graph topology for effective cluster assignments. However, representations learned through GNNs typically struggle to capture global relationships between nodes via local message-passing mechanisms. Moreover, the redundancy and noise inherently present in graph data may easily result in node representations lacking compactness and robustness. To address these issues, we propose a conjoint framework CoCo, which captures compactness and consistency in the learned node representations for deep graph clustering. Technically, our CoCo leverages graph convolutional filters to learn robust node representations from both local and global views, and then encodes them into low-rank compact embeddings, thus effectively removing the redundancy and noise as well as uncovering the intrinsic underlying structure. To further enrich the node semantics, we develop a consistency learning strategy based on compact embeddings to facilitate knowledge transfer from the two perspectives. Our experimental results indicate that our CoCo outperforms state-of-the-art counterparts on various datasets.
LLM judges show bias risks in evaluating entity alignment systems
Reliability of LLM Judges for Evaluating Entity Alignment
Abstract: Entity Alignment (EA) identifies equivalent entities across knowledge graphs and is critical for knowledge base integration and ontology merging. Evaluating EA systems at scale requires expensive expert annotation, making systematic assessment across diverse domains practically infeasible. LLM-as-judge evaluation offers a potentially scalable alternative, yet its reliability for structured prediction tasks like EA remains unstudied. We present the first systematic benchmarking study across three frontier models, three datasets, and four EA systems, using perturbation bias diagnostics, meta-evaluation across all dataset-judge-prompt combinations, and counterfactual label-flip tests. We identify anchor bias, a failure mode in which judges invert discrimination when the system's decision label is visible. Label exposure causally collapses judge discrimination (J-ROC-AUC 0.12-0.87), while a label-free protocol recovers near-ceiling capability on distinctive-name datasets (0.93-1.00) and significant recovery on biomedical pairs (0.93-0.95). Counterfactual experiments confirm causality (FSR 53-99%) and reveal a frontier model paradox: stronger judges exhibit greater label sensitivity, not less. A blinded two-annotator human evaluation (102 pairs, Cohen's kappa=0.902) confirms this mechanism directly. We release the first biomedical EA benchmark (MeSH-SNOMED CT, 15K pairs) and a reproducible auditing framework for LLM judge reliability in EA. Code and data are available at https://github.com/vaibhavalakshmiravideshik/llm-as-a-judge-entity-alignment.
BioStudyBench tests AI agents on recent biomedical study data
BioStudyBench: Evaluating Agents on Post-Cutoff Biomedical Studies
Abstract: We evaluate whether AI agents can match the reported findings of published biomedical studies using public data. Existing evaluations do not consistently separate analysis from prior knowledge or retrieval of the published answer. We introduce BioStudyBench, a benchmark of 25 long-horizon analysis tasks drawn from studies first published between July and September 2026, after the developer-reported knowledge cutoffs of the models we evaluate, semi-automatically filtered down from 404,019 PubMed records. In each task, the agent receives a neutral research question but no data files, so it must find and download the relevant public data, search the literature through tools that return only records dated before its cutoff, and report findings through data analysis. To measure gains over prior knowledge, we run every task both with and without access to data and tools. Across eight models, access to data and tools raises the pass rate by 47 percentage points on average over the no-data baseline. Open-weight models across sizes trail closed-weight models, with the best open-weight model passing 81.3% of tasks against 94.7% for the best closed-weight model.
Biomedical sentence encoders improve typed decision models accuracy
From Retrieval to Typed Decisions: Calibrated System One Models from Biomedical Sentence Encoders
Abstract: Typed decision models answer schema-constrained questions about a text in one forward pass and return probabilities meant to be thresholded. We ask whether biomedical sentence encoders trained for retrieval are good starting points for such models. We present SBERT2S1, which converts Sentence-Transformers encoders into bi-encoder, cross-head (C) and prior-fused residual (PFR) decision models, together with BIODECIDE, a biomedical typed-decision suite, and MEDLINE-S1, 243k training decisions derived from NLM indexing. Across six parent-retriever pairs, retrieval training improves zero-shot matching of content-bearing options. After fine-tuning, its effect depends on the head: across five pairs and three training-set sizes, retrieval training significantly helps PFR, which keeps the retrieval prior, in 10 of 15 comparisons, but helps C in one and hurts it in five. A matched grid of two heads and five training objectives shows that C outperforms PFR under every objective, and that the released RLCD recipe of open System One models trails cross-entropy by 2.5-3.0 points. The deficit stems mainly from its reward normalisation, which inflates the noisy score-function term 3.6-15-fold; an unbiased leave-one-out estimator recovers most of the gap. After temperature scaling, no objective is clearly better calibrated than cross-entropy. We release the code, the MEDLINE-S1 labels and a model.
Ontology-grounded benchmarks measure large language model reasoning
Ontology-Grounded, Reasoner-Verified Benchmarks for Evaluating LLM Reasoning in Scientific AI
Abstract: Large language models (LLMs) increasingly underpin scientific AI applications that reason over structured knowledge, from biomedical question answering to materials informatics. However, their logical reasoning often falls short, producing factual inaccuracies unacceptable in these settings. Reliable evaluation remains challenging: manual dataset construction scales poorly, and LLM-based generation risks embedding the very flaws it aims to measure. High-quality benchmarks must ground both correct and incorrect labelled examples in explicit background knowledge, formally verifiable by a standard reasoner. We propose a pipeline that automatically generates ontology-grounded multiple-choice question (MCQ) benchmarks from any sufficiently axiomatised OWL 2 ontology, with correct answers grounded in the ontology by design. Distractors are generated by perturbing the right-hand-side class expressions of class definition axioms, and their incorrectness is formally verified by an OWL reasoner via entailment checks. We evaluate the pipeline on three ontologies: Pizza (small, academic), PMDco (complex, materials science), and DOID (large, biomedical), generating 112, 2,491, and 15,216 MCQs respectively. Distractors span four semantic categories from class unsatisfiability to weakened subsumptions, enabling diagnostic evaluation of specific reasoning failures. Items meet natural language quality standards: mean LLM judge scores of 4.02, 4.36, and 3.36 out of 5 confirm fluency, and correct-answer-to-distractor similarity above 0.8 shows that wrong options cannot be dismissed on surface form alone. Six LLMs evaluated zero-shot achieve 41.1-76.8% accuracy, well above the 25% random-guessing baseline, indicating the benchmarks are challenging and discriminative. This work is a step towards more reliable benchmarks for assessing logical reasoning in scientific AI.
Efficient large-scale Cox regression with grouped sets and better rates
Scalable Cox Regression via Grouped Risk Sets and Sharper LogSumExp Rates
Abstract: Motivated by the computational challenges of large-scale Cox regression, we study stochastic minimization of LogSumExp objectives over large sets. Mini-batch normalizer estimates generally yield biased gradients. We instead use a softplus surrogate that introduces one auxiliary scalar per normalizer and admits unbiased single-sample gradients. For smooth convex LogSumExp objectives, we prove an $O(T^{-1/2})$ averaged objective bound, improving the previous $T^{-1/4}$ analysis. With a strongly convex regularizer on the original variable, we also obtain a last-iterate squared-error rate of $\widetilde{O}(T^{-1})$ without strong convexity in the auxiliary variables. For Cox regression, the normalizers are defined over nested risk sets. We exploit this structure by grouping neighboring failures and sharing one auxiliary variable per group. The resulting compressed objective admits uniform score and curvature bounds that control the errors from grouping and softplus approximation. Together with the general optimization result, these bounds give a mean-square rate of $T^{-4/5}$, up to logarithmic factors, relative to the full Cox solution. The compressed estimator also matches the full estimator's asymptotic distribution. Experiments on synthetic and real survival datasets with slowly decreasing risk sets show a favorable performance relative to stochastic baselines.
Language models struggle to spot scientific conflicts in complex reports
When Scientific Contradictions Are Lost in Translation
Abstract: Two scientific findings can disagree without contradicting each other. Determining whether they conflict requires knowing whether they describe comparable measurements. We study how language models behave at this decision point. In a controlled task, we generate an unsatisfiable XOR constraint system and translate its constraints into scientific reports from different laboratories. One assignment satisfies more constraints, while another satisfies fewer but better matches expected biology. This creates a simple dilemma: does the model choose the assignment that best fits the constraints, or the one that better matches biological expectations? When the constraints are stated directly, GPT-5.6 Sol and Claude Opus 5 recover the best-supported assignment in 90% and 96% of cases, respectively. In scientific prose, however, the models behave differently. Claude Opus 5 often prefers the biologically expected assignment. Removing that biological preference increases recovery of the better-supported assignment from 27% to 79% (p<.001); recovery reaches 92% when the same Biology-favored record is accompanied by a formalization request and an explicit paired-design cue (p<.001). GPT-5.6 Sol is less sensitive, with neither corresponding change reaching statistical significance. These results suggest that reliable scientific verification depends not only on formal reasoning, but also on how models decide which findings should be compared and what relations they imply.
Apolo improves ontology learning from text using optimized prompts
APOLO: Automatic Prompt Optimization for Ontology Learning
Abstract: Ontology Learning (OL) from text has advanced with the emergence of Large Language Models (LLMs), but it remains challenging due to the limited availability of annotated training data and the difficulty of adapting LLMs to perform OL effectively. We address this via APOLO - Automatic Prompt Optimization for Ontology Learning, by casting OL as an explicit prompt optimization problem over LLM modules. To obtain training data, we employ a multi-agent system that generates text-ontology pairs from existing expert-curated ontologies. We then propose two ontology learner architectures: a greedy and an autoregressive learner, and optimize both using GEPA, a greedy evolutionary prompt optimizer built on DSPy. Experiments on two ontologies - a biomedical (DOID) and a plant ontology (PO) show consistent improvements after optimization across nearly all model and mode combinations, with autoregressive learners achieving the largest gains. Our results demonstrate that prompt optimization is a viable and lightweight alternative to fine-tuning for OL, and that the autoregressive formulation better captures ontological structure than the greedy approach.
Koopcell models single-cell population changes with branching memory
KoopCell: Koopman-Based Generative Model for Learning Single-Cell Dynamics from Distribution Snapshots
Abstract: Learning population dynamics from temporally sparse, unpaired distribution snapshots is a fundamental challenge in developmental biology. Recent approaches based on neural differential equations and flow matching can interpolate between observed population snapshots, but may struggle to extrapolate beyond the training horizon and often lack an explicit mechanism for modeling developmental branching. We propose KoopCell, a unified generative framework based on Koopman-Mori-Zwanzig theory that jointly learns representations and predictive linear latent dynamics. Theoretically, using the weak continuity equation, we derive a closed-form least-squares estimator for the Koopman generator from distribution snapshots and establish convergence guarantees under suitable assumptions. To model branching dynamics, we further develop KoopCell-M, which incorporates non-Markovian memory into the latent Koopman dynamics through a Markovian embedding. Experiments on synthetic systems and three scRNA-seq datasets demonstrate the ability of our framework to recover Koopman spectra, model branching through memory, and scale to predicting high-dimensional gene expression distributions, achieving state-of-the-art performance among the evaluated methods.
Biomedical review agents ranked fairly with stage-level score control
What Can a Leaderboard Certify? Compositional Controllability for Fair Evaluation and Training of Biomedical Literature-Review Agents
Abstract: Leaderboards rank long-horizon agents by their final outputs. Yet a higher score alone does not establish whether two systems are comparable or which stage accounts for the difference. Unequal evidence, inputs, or budgets can affect scores, and statistical corrections do not remove this mismatch. We introduce compositional controllability to address these questions. A comparison window covers one stage, several stages, or the whole agent. Our central result bounds the gap between observed and controlled score differences using only nuisance outside the window. This yields an admissibility test applied before scores are inspected. Inadmissible comparisons are refused. For admissible pairs, an ordering is certified only when the score gap exceeds the combined sampling and nuisance radii; otherwise, it remains undecided. These decisions give each system a rank interval. We introduce BioLitBench, a benchmark of 2,042 biomedical articles represented as structured claim graphs. Among seven published pipelines, a conventional statistical analysis declares a winner in 14 of 21 pairwise comparisons. Yet the top-ranked system alone received the target review's bibliography. To isolate pipeline performance, our test requires matched inputs and a fixed backbone model. It refuses 11 of the 21 comparisons, including every comparison involving the top-ranked system. Seven of the 14 conventional conclusions fall within these refused pairs. The same comparison windows support stage-level training. We train SCRIBE on Qwen3.8-27B using rewards measured at each stage's exit. Under matched evidence, SCRIBE achieves a certified rank interval of [1,2], with certified advantages over all evaluated published pipelines and the evaluated Claude and OpenAI agents. Under same pool, SCRIBE matches the strongest published retriever and is certified above three published pipelines.
Spatial biologists guide and check AI analyses of tissue data
How Spatial Biologists Direct and Verify AI-Assisted Analyses
Abstract: Spatial biologists use visualization to assess computational analyses of tissue data. We examine how they direct and verify analyses when an AI agent performs this work. We synthesized workflows from fourteen contextual inquiries and conducted a formative pilot followed by an observational study with ten spatial biologists using Claude Science on their own data. Participants valued help with plotting, locating cells of interest, and tasks they found laborious or could not otherwise perform. Assessing the agent's work involved obtaining suitable evidence, sometimes through additional work in external tools, and interpreting it using knowledge of the tissue and its markers. Scientists also sought information about ongoing computation to decide how analysis should proceed. We contribute a workflow synthesis, an empirical account of scientists directing and verifying agentic analyses, and four design directions addressing execution control, familiar interactive views, source and execution information, and accessible verification across computing setups and experience.
LabFactory builds executable AI labs for diverse scientific tasks
LabFactory: Building and Evaluating Executable AI Labs
Abstract: Scientific tasks specify a desired capability, but realizing it often requires building a computational system tailored to the task---acquiring data, designing representations, training models, implementing tools, and deciding how they are used at inference. We present LabFactory, a framework in which an AI builder turns a scientific brief into an executable AI lab: a task-specific solver that integrates models, knowledge resources, tools, and a controller behind a fixed interface. The builder develops and packages the lab in a metered workspace; a separate host then executes the delivered artifact on held-out inputs, with reference labels kept outside the solver's input interface, and scores its outputs under the task's protocol. This makes the delivered system, rather than the builder's account of its progress, the object of evaluation. We document 28 selected constructions across seven scientific task categories---from molecular and genomic prediction to physiological signals, clinical decision support, and biomedical text---whose delivered labs exceeded their configured reference values on all 33 subtests under host-side execution. Ten contain predictive models fitted during construction; the others assemble retrieval systems, executable analysis environments, and tool-driven workflows around a fixed platform LLM. Together they show that an AI agent can carry a scientific brief all the way to a working lab that can still be invoked, inspected, and checked after construction ends.
Pheno GS speeds up patient cell data comparison with geodesic transport
Pheno-GS: Phenoscape-scale Geodesic Sinkhorn
Abstract: High-throughput single-cell data is now collected across large patient cohorts. Understanding patient-level heterogeneity from cellular-level data motivates phenoscaping: embedding each single-cell distribution as a "datapoint," with distances given by optimal transport (OT). Computing geometry-aware OT at this scale, between all pairs of patient datasets, remains an open challenge, since existing methods either rely on Euclidean ground metrics that distort manifold structure or fail under sparse, unevenly sampled, or large-scale data. We present \textbf{Pheno-GS} (Phenoscape-scale Geodesic Sinkhorn), which computes accurate, scalable geodesic transport distances under noisy, unbalanced, large-scale settings via three components: ($1$) graph connectivity regularization for well-defined geodesics on sparse/disconnected manifolds; ($2$) an unbalanced OT formulation via KL marginal penalties; and ($3$) a batched matrix algorithm computing all pairwise distances in one heat diffusion (over $200 \times$ faster than Geodesic Sinkhorn for $500$ distributions). We validate Pheno-GS on synthetic benchmarks and a CyTOF perturbation dataset.
Scientific retrievers improve rare concept understanding with verification
REPAIR: Resolving Long-Tail Confusion in Scientific Retrievers via Fact-Verified Iterative Refinement
Abstract: Precise retrieval of scientific information is fundamentally constrained by long-tailed concepts and high fact-sensitivity of scientific corpora. These challenges often limit the effectiveness of dense retrievers and hallucination-prone LLM augmentation. To address this, we present REPAIR, a self-evolving data augmentation framework for scientific dense retrievers. REPAIR iteratively synthesizes training data to address knowledge gaps by cycling through diagnosis of long-tail concepts, API-guided evidence expansion, and differentiation via hard negative mining. This process effectively grounds retrieval in factual reality to resolve fine-grained distinctions. Extensive experiments demonstrate that REPAIR significantly outperforms 19 strong baselines on nine materials science and biomedical benchmarks. Our work highlights that diagnosing and factually augmenting data to long-tail deficits is essential for robust scientific retrieval.
Distributed testing method keeps error rate low with little data sharing
On Large-Scale Multiple Testing Over Networks: A Non-Asymptotic Approach
Abstract: Distributed multiple testing asks $N$ sites to control a global false discovery rate (FDR) under a tight communication budget. The greedy interval-aggregation algorithm of Pournaderi and Xiang (2024) solves this asymptotically but can violate $\mathrm{FDR}\leα$ at finite samples. We trace the violation to a winner's-curse bias in the selected density statistics, of exact order $Θ(m^{-1/4}\sqrt{\log m})$ at the standard bandwidth $\varepsilon\asymp m^{-1/2}$, with $m$ the total number of p-values in the network. Cross-Fit Greedy Aggregation (CFGA) eliminates the curse by selecting the nested rejection family on one half of each node's data and scoring it on the other, achieving finite-sample $\mathrm{FDR}\leα$ when per-node null rates are known; an inflated variant covers the plug-in setting at a vanishing $η=1/m$ slack. BONuS-GA instead masks a bag of synthetic uniform nulls calibrated by counting knockoffs, so every p-value serves both selection and inference; a per-node budgeted variant removes all oracle input, controlling $\mathrm{FDR}\leα$ for any data-independent bag. Aggregating the CFGA folds by e-values over random splits (e-CFGA) removes the Bonferroni factor and averages the split randomness. All variants keep the $O(\sqrt{m}\log m)$ communication budget, up to e-CFGA's $O(\bar{R}\log m)$ reporting round; empirically, BONuS-GA dominates at moderate-to-large per-node samples and CFGA with adaptive bandwidth at small ones.
LatentVerse aids understanding of multimodal biomedical data embeddings
LatentVerse: A Framework for Understanding Shared and Modality-Specific Information in Multimodal Latent Representations
Abstract: Latent embeddings have become a central data abstraction in modern machine learning, especially in biomedicine, where foundation models are increasingly used to encode multimodal data like clinical text, medical images, omics, and physiological signals. However, the utility and value of these representations depends on understanding their quality, structure, and the information they encode. Existing analysis workflows for evaluating representations remain fragmented across custom scripts, isolated metrics, and most importantly lack multimodal analysis, limiting accessibility and reproducibility. We present LatentVerse, a representation analysis resource that combines a web-based visual analytics platform for accessible, report-driven exploration with a command-line interface for scalable technical workflows. LatentVerse unifies diagnostics for various representation quality metrics and extends to multimodal settings by decomposing embeddings into shared and modality-specific components. We evaluate LatentVerse through controlled unimodal and multimodal simulations, discovery-oriented analyses on real biomedical embeddings, and a user study across diverse use cases. By supporting thorough and interpretable evaluation of latent spaces, LatentVerse makes foundation model representations more understandable in biomedical and data science applications.
Biomedical knowledge graphs help language models generate better hypotheses
HypoKG: Evidence-Disciplined Biomedical Hypothesis Generation Beyond Endpoint Knowledge
Abstract: Large language models (LLMs) can generate biomedical hypotheses, but it remains unclear whether they truly reason from scientific evidence or simply produce convincing-sounding ideas. To study this, we combine three major biological databases: the Kyoto Encyclopedia of Genes and Genomes (KEGG), Rhea, and UniProt, into a unified biochemical knowledge graph and construct a benchmark of 550 paths connecting enzyme sources to rare disease endpoints, yielding 13,200 hypotheses from six LLMs under four conditions varying the biological information each model receives: source enzyme only, full biological path, or source and disease endpoint only. Hypotheses are scored using an expert-derived five-criterion rubric on a 1-5 scale per criterion. We find that models given both the source and disease endpoint often produce the highest-scoring hypotheses, showing that LLMs can generate compelling ideas from minimal information. However, these hypotheses are less grounded in the evidence. In contrast, models given the full biological path generate hypotheses more consistent with known mechanistic relationships. We call this evidence-disciplined reasoning. To confirm this effect, we shuffled intermediate path steps while keeping endpoints fixed. Evidence grounding dropped significantly (delta = -0.793, p < 0.001), confirming models genuinely used path structure during reasoning. Our findings show that knowledge graphs support hypothesis generation in two ways: they identify biological endpoint pairs absent from the literature, and their mechanistic paths guide how LLMs reason between them.
Large language models detect and reduce false claims by domain training
Domain-Specific Hallucination Detection in Large Language Models
Abstract: Large language models generate fluent text that can contain unfaithful claims -- a phenomenon known as hallucination. We present a multi-signal detection pipeline combining fine-tuned DeBERTa-v3 classification, Monte Carlo (MC) Dropout uncertainty quantification, and temperature-scaled calibration for response-level hallucination detection. Evaluated on the HaluEval benchmark, our pipeline achieves F1=0.915 and AUROC=0.977 on general-domain tasks, with per-task F1 scores of 0.97 (QA), 0.96 (Summarization), and 0.82 (Dialogue). MC Dropout inference further improves accuracy to 93.2%. A context ablation study confirms the model performs genuine entailment reasoning rather than exploiting surface patterns, with summarization F1 dropping 24% when knowledge context is removed. Learning curve analysis reveals that 25% of training data captures 77% of full-data performance. Beyond detection, we apply Direct Preference Optimization (DPO) to a Qwen2.5-0.5B generator, reducing its hallucination rate from 85.5% to 37.7% (55.9% relative reduction) as measured by our detector. Cross-domain evaluation on the SciFact biomedical benchmark shows that general-domain training transfers poorly (F1=0.52), motivating domain-specific fine-tuning. PubMedBERT fine-tuned on SciFact achieves F1=0.63 and AUROC=0.81, demonstrating that domain-matched pre-training is the strongest adaptation strategy. Code and models are available at https://github.com/varunteja99/hallucination-detection-nlp
Biomedical retrieval struggles with complex ontology based constraints
OntologyBench: Can Dense Retrieval Satisfy Structured Biomedical Constraints?
Abstract: We introduce OntologyBench, a tiered biomedical retrieval benchmark comprising 471,854 training and 125,744 evaluation query-document relevance pairs across concept grounding, relational retrieval, and compositional phenotype-based retrieval. Although these tasks can be tractable using ontology-aware reference methods, across task tiers, embedding performance is generally lower on relational and compositional tasks than on concept-grounding tasks. Fine-tuning on ontology-derived supervision improves performance on several relational and compositional tasks, whereas the evaluated reranking and LLM-based candidate-scoring methods provide little or no end-to-end improvement. Errors frequently reflect diseases matching only subsets of the phenotype evidence. These findings indicate that the evaluated embedding and reranking configurations do not reliably recover the compatibility encoded by the selected ontology relations and phenotype combinations and motivate retrieval systems that better integrate learned representations with structured biomedical knowledge.