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May 7

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

  • 10 authors
·
Jan 31, 2023

Cross-Phase Mutual Learning Framework for Pulmonary Embolism Identification on Non-Contrast CT Scans

Pulmonary embolism (PE) is a life-threatening condition where rapid and accurate diagnosis is imperative yet difficult due to predominantly atypical symptomatology. Computed tomography pulmonary angiography (CTPA) is acknowledged as the gold standard imaging tool in clinics, yet it can be contraindicated for emergency department (ED) patients and represents an onerous procedure, thus necessitating PE identification through non-contrast CT (NCT) scans. In this work, we explore the feasibility of applying a deep-learning approach to NCT scans for PE identification. We propose a novel Cross-Phase Mutual learNing framework (CPMN) that fosters knowledge transfer from CTPA to NCT, while concurrently conducting embolism segmentation and abnormality classification in a multi-task manner. The proposed CPMN leverages the Inter-Feature Alignment (IFA) strategy that enhances spatial contiguity and mutual learning between the dual-pathway network, while the Intra-Feature Discrepancy (IFD) strategy can facilitate precise segmentation of PE against complex backgrounds for single-pathway networks. For a comprehensive assessment of the proposed approach, a large-scale dual-phase dataset containing 334 PE patients and 1,105 normal subjects has been established. Experimental results demonstrate that CPMN achieves the leading identification performance, which is 95.4\% and 99.6\% in patient-level sensitivity and specificity on NCT scans, indicating the potential of our approach as an economical, accessible, and precise tool for PE identification in clinical practice.

  • 8 authors
·
Jul 15, 2024

Zero-Shot Dual-Path Integration Framework for Open-Vocabulary 3D Instance Segmentation

Open-vocabulary 3D instance segmentation transcends traditional closed-vocabulary methods by enabling the identification of both previously seen and unseen objects in real-world scenarios. It leverages a dual-modality approach, utilizing both 3D point clouds and 2D multi-view images to generate class-agnostic object mask proposals. Previous efforts predominantly focused on enhancing 3D mask proposal models; consequently, the information that could come from 2D association to 3D was not fully exploited. This bias towards 3D data, while effective for familiar indoor objects, limits the system's adaptability to new and varied object types, where 2D models offer greater utility. Addressing this gap, we introduce Zero-Shot Dual-Path Integration Framework that equally values the contributions of both 3D and 2D modalities. Our framework comprises three components: 3D pathway, 2D pathway, and Dual-Path Integration. 3D pathway generates spatially accurate class-agnostic mask proposals of common indoor objects from 3D point cloud data using a pre-trained 3D model, while 2D pathway utilizes pre-trained open-vocabulary instance segmentation model to identify a diverse array of object proposals from multi-view RGB-D images. In Dual-Path Integration, our Conditional Integration process, which operates in two stages, filters and merges the proposals from both pathways adaptively. This process harmonizes output proposals to enhance segmentation capabilities. Our framework, utilizing pre-trained models in a zero-shot manner, is model-agnostic and demonstrates superior performance on both seen and unseen data, as evidenced by comprehensive evaluations on the ScanNet200 and qualitative results on ARKitScenes datasets.

  • 6 authors
·
Aug 16, 2024

ACAR: Adaptive Complexity Routing for Multi-Model Ensembles with Auditable Decision Traces

We present ACAR (Adaptive Complexity and Attribution Routing), a measurement framework for studying multi-model orchestration under auditable conditions. ACAR uses self-consistency variance (sigma) computed from N=3 probe samples to route tasks across single-model, two-model, and three-model execution modes. The system is implemented on top of TEAMLLM, a deterministic execution substrate with immutable artifacts and complete decision traces. We evaluate ACAR on 1,510 tasks spanning four benchmarks: MathArena, Reasoning Gym, LiveCodeBench, and SuperGPQA, using Claude Sonnet 4, GPT-4o, and Gemini 2.0 Flash, producing more than 7,550 auditable runs. Results show that sigma-based routing achieves 55.6 percent accuracy, exceeding the two-model baseline of 54.4 percent while avoiding full ensembling on 54.2 percent of tasks. The routing mechanism is model-agnostic and requires no learned components. We also document negative results. First, retrieval augmentation reduced accuracy by 3.4 percentage points, as median retrieval similarity was only 0.167, demonstrating that experience injection without semantic alignment introduces noise rather than grounding. Second, when models agree on incorrect answers (sigma equals zero), no downstream ensemble can recover; this agreement-but-wrong failure mode is intrinsic to self-consistency and bounds achievable accuracy at approximately eight percentage points below full ensembling. Third, attribution estimates based on proxy signals such as response similarity and entropy showed weak correlation with ground-truth leave-one-out values, indicating that practical attribution requires explicit counterfactual computation. This work documents which assumptions fail in practice and provides falsifiable baselines for future research on routing, retrieval, and multi-model attribution.

  • 1 authors
·
Feb 6

DualTAP: A Dual-Task Adversarial Protector for Mobile MLLM Agents

The reliance of mobile GUI agents on Multimodal Large Language Models (MLLMs) introduces a severe privacy vulnerability: screenshots containing Personally Identifiable Information (PII) are often sent to untrusted, third-party routers. These routers can exploit their own MLLMs to mine this data, violating user privacy. Existing privacy perturbations fail the critical dual challenge of this scenario: protecting PII from the router's MLLM while simultaneously preserving task utility for the agent's MLLM. To address this gap, we propose the Dual-Task Adversarial Protector (DualTAP), a novel framework that, for the first time, explicitly decouples these conflicting objectives. DualTAP trains a lightweight generator using two key innovations: (i) a contrastive attention module that precisely identifies and targets only the PII-sensitive regions, and (ii) a dual-task adversarial objective that simultaneously minimizes a task-preservation loss (to maintain agent utility) and a privacy-interference loss (to suppress PII leakage). To facilitate this study, we introduce PrivScreen, a new dataset of annotated mobile screenshots designed specifically for this dual-task evaluation. Comprehensive experiments on six diverse MLLMs (e.g., GPT-5) demonstrate DualTAP's state-of-the-art protection. It reduces the average privacy leakage rate by 31.6 percentage points (a 3.0x relative improvement) while, critically, maintaining an 80.8% task success rate - a negligible drop from the 83.6% unprotected baseline. DualTAP presents the first viable solution to the privacy-utility trade-off in mobile MLLM agents.

  • 9 authors
·
Nov 17, 2025

LDP: An Identity-Aware Protocol for Multi-Agent LLM Systems

As multi-agent AI systems grow in complexity, the protocols connecting them constrain their capabilities. Current protocols such as A2A and MCP do not expose model-level properties as first-class primitives, ignoring properties fundamental to effective delegation: model identity, reasoning profile, quality calibration, and cost characteristics. We present the LLM Delegate Protocol (LDP), an AI-native communication protocol introducing five mechanisms: (1) rich delegate identity cards with quality hints and reasoning profiles; (2) progressive payload modes with negotiation and fallback; (3) governed sessions with persistent context; (4) structured provenance tracking confidence and verification status; (5) trust domains enforcing security boundaries at the protocol level. We implement LDP as a plugin for the JamJet agent runtime and evaluate against A2A and random baselines using local Ollama models and LLM-as-judge evaluation. Identity-aware routing achieves ~12x lower latency on easy tasks through delegate specialization, though it does not improve aggregate quality in our small delegate pool; semantic frame payloads reduce token count by 37% (p=0.031) with no observed quality loss; governed sessions eliminate 39% token overhead at 10 rounds; and noisy provenance degrades synthesis quality below the no-provenance baseline, arguing that confidence metadata is harmful without verification. Simulated analyses show architectural advantages in attack detection (96% vs. 6%) and failure recovery (100% vs. 35% completion). This paper contributes a protocol design, reference implementation, and initial evidence that AI-native protocol primitives enable more efficient and governable delegation.

  • 1 authors
·
Mar 8

BioProBench: Comprehensive Dataset and Benchmark in Biological Protocol Understanding and Reasoning

Biological protocols are fundamental to reproducible and safe life science research. While LLMs excel on general tasks, their systematic evaluation on these highly specialized, accuracy-critical, and inherently procedural texts remains limited. In this work, we present BioProBench, the first large-scale, integrated multi-task benchmark for biological protocol understanding and reasoning. While limited benchmarks have touched upon specific aspects like protocol QA, BioProBench provides a comprehensive suite of five core tasks: Protocol Question Answering, Step Ordering, Error Correction, Protocol Generation, and Protocol Reasoning, enabling a holistic evaluation of LLMs on procedural biological texts. Built upon 27K original protocols, it yields nearly 556K high-quality structured instances. We evaluate 12 mainstream open/closed-source LLMs on BioProBench. Experimental results reveal that while top models preform well on surface understanding tasks, struggle significantly with deep reasoning and structured generation tasks like ordering and generation. Furthermore, model comparisons reveal diverse performance: certain open-source models approach closed-source levels on some tasks, yet bio-specific small models lag behind general LLMs, indicating limitations on complex procedural content. Overall, our findings underscore that procedural reasoning within biological protocols represents a significant challenge for current LLMs. BioProBench serves as a standardized framework to diagnose these specific limitations and guide the development of AI systems better equipped for safely automating complex scientific procedures. The code and data are available at: https://github.com/YuyangSunshine/bioprotocolbench and https://huggingface.co/datasets/GreatCaptainNemo/BioProBench.

  • 5 authors
·
May 11, 2025

VersatileFFN: Achieving Parameter Efficiency in LLMs via Adaptive Wide-and-Deep Reuse

The rapid scaling of Large Language Models (LLMs) has achieved remarkable performance, but it also leads to prohibitive memory costs. Existing parameter-efficient approaches such as pruning and quantization mainly compress pretrained models without enhancing architectural capacity, thereby hitting the representational ceiling of the base model. In this work, we propose VersatileFFN, a novel feed-forward network (FFN) that enables flexible reuse of parameters in both width and depth dimensions within a fixed parameter budget. Inspired by the dual-process theory of cognition, VersatileFFN comprises two adaptive pathways: a width-versatile path that generates a mixture of sub-experts from a single shared FFN, mimicking sparse expert routing without increasing parameters, and a depth-versatile path that recursively applies the same FFN to emulate deeper processing for complex tokens. A difficulty-aware gating dynamically balances the two pathways, steering "easy" tokens through the efficient width-wise route and allocating deeper iterative refinement to "hard" tokens. Crucially, both pathways reuse the same parameters, so all additional capacity comes from computation rather than memory. Experiments across diverse benchmarks and model scales demonstrate the effectiveness of the method. The code will be available at https://github.com/huawei-noah/noah-research/tree/master/VersatileFFN.

huawei-noah HUAWEI Noah's Ark Lab
·
Dec 16, 2025 2

MCPHunt: An Evaluation Framework for Cross-Boundary Data Propagation in Multi-Server MCP Agents

Multi-server MCP agents create an information-flow control problem: faithful tool composition can turn individually benign read/write permissions into cross-boundary credential propagation -- a structural side effect of workflow topology, not necessarily malicious model behavior. We present MCPHunt, to our knowledge the first controlled benchmark that isolates non-adversarial, verbatim credential propagation across multi-server MCP trust boundaries, with three methodological contributions: (1) canary-based taint tracking that reduces propagation detection to objective string matching; (2) an environment-controlled coverage design with risky, benign, and hard-negative conditions that validates pipeline soundness and controls for credential-format confounds; (3) CRS stratification that disentangles task-mandated propagation (faithful execution of verbatim-transfer instructions) from policy-violating propagation (credentials included despite the option to redact). Across 3,615 main-benchmark traces from 5 models spanning 147 tasks and 9 mechanism families, policy-violating propagation rates reach 11.5--41.3% across all models. This propagation is pathway-specific (25x cross-mechanism range) and concentrated in browser-mediated data flows; hard-negative controls provide evidence that production-format credentials are not necessary -- prompt-directed cross-boundary data flow is sufficient. A prompt-mitigation study across 3 models reduces policy-violating propagation by up to 97% while preserving 80.5% utility, but effectiveness varies with instruction-following capability -- suggesting that prompt-level defenses alone may not suffice. Code, traces, and labeling pipeline are released under MIT and CC BY 4.0.

  • 4 authors
·
Apr 29

Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

In the rapidly evolving field of metabolic engineering, the quest for efficient and precise gene target identification for metabolite production enhancement presents significant challenges. Traditional approaches, whether knowledge-based or model-based, are notably time-consuming and labor-intensive, due to the vast scale of research literature and the approximation nature of genome-scale metabolic model (GEM) simulations. Therefore, we propose a new task, Gene-Metabolite Association Prediction based on metabolic graphs, to automate the process of candidate gene discovery for a given pair of metabolite and candidate-associated genes, as well as presenting the first benchmark containing 2474 metabolites and 1947 genes of two commonly used microorganisms Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is challenging due to the incompleteness of the metabolic graphs and the heterogeneity among distinct metabolisms. To overcome these limitations, we propose an Interactive Knowledge Transfer mechanism based on Metabolism Graph (IKT4Meta), which improves the association prediction accuracy by integrating the knowledge from different metabolism graphs. First, to build a bridge between two graphs for knowledge transfer, we utilize Pretrained Language Models (PLMs) with external knowledge of genes and metabolites to help generate inter-graph links, significantly alleviating the impact of heterogeneity. Second, we propagate intra-graph links from different metabolic graphs using inter-graph links as anchors. Finally, we conduct the gene-metabolite association prediction based on the enriched metabolism graphs, which integrate the knowledge from multiple microorganisms. Experiments on both types of organisms demonstrate that our proposed methodology outperforms baselines by up to 12.3% across various link prediction frameworks.

  • 6 authors
·
Oct 24, 2024

A survey of agent interoperability protocols: Model Context Protocol (MCP), Agent Communication Protocol (ACP), Agent-to-Agent Protocol (A2A), and Agent Network Protocol (ANP)

Large language model powered autonomous agents demand robust, standardized protocols to integrate tools, share contextual data, and coordinate tasks across heterogeneous systems. Ad-hoc integrations are difficult to scale, secure, and generalize across domains. This survey examines four emerging agent communication protocols: Model Context Protocol (MCP), Agent Communication Protocol (ACP), Agent-to-Agent Protocol (A2A), and Agent Network Protocol (ANP), each addressing interoperability in deployment contexts. MCP provides a JSON-RPC client-server interface for secure tool invocation and typed data exchange. ACP defines a general-purpose communication protocol over RESTful HTTP, supporting MIME-typed multipart messages and synchronous and asynchronous interactions. Its lightweight and runtime-independent design enables scalable agent invocation, while features like session management, message routing, and integration with role-based and decentralized identifiers (DIDs). A2A enables peer-to-peer task delegation using capability-based Agent Cards, supporting secure and scalable collaboration across enterprise agent workflows. ANP supports open network agent discovery and secure collaboration using W3C decentralized identifiers DIDs and JSON-LD graphs. The protocols are compared across multiple dimensions, including interaction modes, discovery mechanisms, communication patterns, and security models. Based on the comparative analysis, a phased adoption roadmap is proposed: beginning with MCP for tool access, followed by ACP for structured, multimodal messaging session-aware interaction and both online and offline agent discovery across scalable, HTTP-based deployments A2A for collaborative task execution, and extending to ANP for decentralized agent marketplaces. This work provides a comprehensive foundation for designing secure, interoperable, and scalable ecosystems of LLM-powered agents.

  • 4 authors
·
May 4, 2025

Router-R1: Teaching LLMs Multi-Round Routing and Aggregation via Reinforcement Learning

The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping (i.e., assigning each query to a single model in isolation), which limits their capability to tackle complex tasks that demand the complementary strengths of multiple LLMs. In this paper, we present Router-R1, a reinforcement learning (RL)-based framework that formulates multi-LLM routing and aggregation as a sequential decision process. Router-R1 instantiates the router itself as a capable LLM, leveraging its reasoning ability to interleave "think" actions (internal deliberation) with "route" actions (dynamic model invocation), and integrates each response into its evolving context. To guide learning, we employ a lightweight rule-based reward comprising format rewards, final outcome rewards, and a novel cost reward for performance and cost trade-off optimization, opening a pathway toward optimizing performance-cost tradeoffs via RL. Router-R1 also conditions only on simple model descriptors such as pricing, latency, and example performance, enabling strong generalization to unseen model selection. Experiments on seven general and multi-hop QA benchmarks show that Router-R1 outperforms over several strong baselines, achieving superior performance while maintaining robust generalization and cost management.Code is available at https://github.com/ulab-uiuc/Router-R1.

  • 3 authors
·
Jun 10, 2025 2

DualMap: Enabling Both Cache Affinity and Load Balancing for Distributed LLM Serving

In LLM serving, reusing the KV cache of prompts across requests is critical for reducing TTFT and serving costs. Cache-affinity scheduling, which co-locates requests with the same prompt prefix to maximize KV cache reuse, often conflicts with load-balancing scheduling that distributes requests evenly across compute instances. Existing schedulers fail to reconcile this trade-off as they operate within a single mapping space, typically applying cache-affinity routing to a subset of requests and load-balanced routing to the rest, without a unified solution to achieve both goals. To address this limitation, we propose DualMap, a dual-mapping scheduling strategy for distributed LLM serving that achieves both cache affinity and load balancing. Its key idea is to map each request to two candidate instances via two independent hash functions based on the request prompt, then intelligently select the better candidate based on current system states. This design increases the likelihood that requests with shared prefixes are co-located, while evenly dispersing distinct prefixes across the cluster via ``the power of two choices''. To make DualMap robust under dynamic and skewed real-world workloads, we incorporate three techniques: 1) SLO-aware request routing, which prioritizes cache affinity but switches to load-aware scheduling when TTFT exceeds the SLO, enhancing load balance without sacrificing cache reuse; 2) hotspot-aware rebalancing, which dynamically migrates requests from overloaded to underloaded instances, mitigating hotspots and rebalancing the system; 3) lightweight dual-hash-ring scaling, which leverages a dual-hash-ring mapping to support fast and low-overhead instance scaling without costly global remapping. Experiments on real-world workloads show that DualMap improves effective request capacity by up to 2.25times under the same TTFT SLO constraints compared with SOTA work.

  • 6 authors
·
Feb 6

TRIP: Temporal Residual Learning with Image Noise Prior for Image-to-Video Diffusion Models

Recent advances in text-to-video generation have demonstrated the utility of powerful diffusion models. Nevertheless, the problem is not trivial when shaping diffusion models to animate static image (i.e., image-to-video generation). The difficulty originates from the aspect that the diffusion process of subsequent animated frames should not only preserve the faithful alignment with the given image but also pursue temporal coherence among adjacent frames. To alleviate this, we present TRIP, a new recipe of image-to-video diffusion paradigm that pivots on image noise prior derived from static image to jointly trigger inter-frame relational reasoning and ease the coherent temporal modeling via temporal residual learning. Technically, the image noise prior is first attained through one-step backward diffusion process based on both static image and noised video latent codes. Next, TRIP executes a residual-like dual-path scheme for noise prediction: 1) a shortcut path that directly takes image noise prior as the reference noise of each frame to amplify the alignment between the first frame and subsequent frames; 2) a residual path that employs 3D-UNet over noised video and static image latent codes to enable inter-frame relational reasoning, thereby easing the learning of the residual noise for each frame. Furthermore, both reference and residual noise of each frame are dynamically merged via attention mechanism for final video generation. Extensive experiments on WebVid-10M, DTDB and MSR-VTT datasets demonstrate the effectiveness of our TRIP for image-to-video generation. Please see our project page at https://trip-i2v.github.io/TRIP/.

  • 7 authors
·
Mar 25, 2024 1

Don't Ignore Dual Logic Ability of LLMs while Privatizing: A Data-Intensive Analysis in Medical Domain

Extensive studies have been devoted to privatizing general-domain Large Language Models (LLMs) as Domain-Specific LLMs via feeding specific-domain data. However, these privatization efforts often ignored a critical aspect: Dual Logic Ability, which is a core reasoning ability for LLMs. The dual logic ability of LLMs ensures that they can maintain a consistent stance when confronted with both positive and negative statements about the same fact. Our study focuses on how the dual logic ability of LLMs is affected during the privatization process in the medical domain. We conduct several experiments to analyze the dual logic ability of LLMs by examining the consistency of the stance in responses to paired questions about the same fact. In our experiments, interestingly, we observed a significant decrease in the dual logic ability of existing LLMs after privatization. Besides, our results indicate that incorporating general domain dual logic data into LLMs not only enhances LLMs' dual logic ability but also further improves their accuracy. These findings underscore the importance of prioritizing LLMs' dual logic ability during the privatization process. Our study establishes a benchmark for future research aimed at exploring LLMs' dual logic ability during the privatization process and offers valuable guidance for privatization efforts in real-world applications.

  • 7 authors
·
Sep 8, 2023

The Workload-Router-Pool Architecture for LLM Inference Optimization: A Vision Paper from the vLLM Semantic Router Project

Over the past year, the vLLM Semantic Router project has released a series of work spanning: (1) core routing mechanisms -- signal-driven routing, context-length pool routing, router performance engineering, policy conflict detection, low-latency embedding models, category-aware semantic caching, user-feedback-driven routing adaptation, hallucination detection, and hierarchical content-safety classification for privacy and jailbreak protection; (2) fleet optimization -- fleet provisioning and energy-efficiency analysis; (3) agentic and multimodal routing -- multimodal agent routing, tool selection, CUA security, and multi-turn context memory and safety; (4) governance and standards -- inference routing protocols and multi-provider API extensions. Each paper tackled a specific problem in LLM inference, but the problems are not independent; for example, fleet provisioning depends on the routing policy, which depends on the workload mix, shifting as organizations adopt agentic and multimodal workloads. This paper distills those results into the Workload-Router-Pool (WRP) architecture, a three-dimensional framework for LLM inference optimization. Workload characterizes what the fleet serves (chat vs. agent, single-turn vs. multi-turn, warm vs. cold, prefill-heavy vs. decode-heavy). Router determines how each request is dispatched (static semantic rules, online bandit adaptation, RL-based model selection, quality-aware cascading). Pool defines where inference runs (homogeneous vs. heterogeneous GPU, disaggregated prefill/decode, KV-cache topology). We map our prior work onto a 3x3 WRP interaction matrix, identify which cells we have covered and which remain open, and propose twenty-one concrete research directions at the intersections, each grounded in our prior measurements, tiered by maturity from engineering-ready to open research.

  • 8 authors
·
Apr 7

A Closer Look at AUROC and AUPRC under Class Imbalance

In machine learning (ML), a widespread adage is that the area under the precision-recall curve (AUPRC) is a superior metric for model comparison to the area under the receiver operating characteristic (AUROC) for binary classification tasks with class imbalance. This paper challenges this notion through novel mathematical analysis, illustrating that AUROC and AUPRC can be concisely related in probabilistic terms. We demonstrate that AUPRC, contrary to popular belief, is not superior in cases of class imbalance and might even be a harmful metric, given its inclination to unduly favor model improvements in subpopulations with more frequent positive labels. This bias can inadvertently heighten algorithmic disparities. Prompted by these insights, a thorough review of existing ML literature was conducted, utilizing large language models to analyze over 1.5 million papers from arXiv. Our investigation focused on the prevalence and substantiation of the purported AUPRC superiority. The results expose a significant deficit in empirical backing and a trend of misattributions that have fuelled the widespread acceptance of AUPRC's supposed advantages. Our findings represent a dual contribution: a significant technical advancement in understanding metric behaviors and a stark warning about unchecked assumptions in the ML community. All experiments are accessible at https://github.com/mmcdermott/AUC_is_all_you_need.

  • 5 authors
·
Jan 11, 2024

The Role of AI in Early Detection of Life-Threatening Diseases: A Retinal Imaging Perspective

Retinal imaging has emerged as a powerful, non-invasive modality for detecting and quantifying biomarkers of systemic diseases-ranging from diabetes and hypertension to Alzheimer's disease and cardiovascular disorders but current insights remain dispersed across platforms and specialties. Recent technological advances in optical coherence tomography (OCT/OCTA) and adaptive optics (AO) now deliver ultra-high-resolution scans (down to 5 {\mu}m ) with superior contrast and spatial integration, allowing early identification of microvascular abnormalities and neurodegenerative changes. At the same time, AI-driven and machine learning (ML) algorithms have revolutionized the analysis of large-scale retinal datasets, increasing sensitivity and specificity; for example, deep learning models achieve > 90 \% sensitivity for diabetic retinopathy and AUC = 0.89 for the prediction of cardiovascular risk from fundus photographs. The proliferation of mobile health technologies and telemedicine platforms further extends access, reduces costs, and facilitates community-based screening and longitudinal monitoring. Despite these breakthroughs, translation into routine practice is hindered by heterogeneous imaging protocols, limited external validation of AI models, and integration challenges within clinical workflows. In this review, we systematically synthesize the latest OCT/OCT and AO developments, AI/ML approaches, and mHealth/Tele-ophthalmology initiatives and quantify their diagnostic performance across disease domains. Finally, we propose a roadmap for multicenter protocol standardization, prospective validation trials, and seamless incorporation of retinal screening into primary and specialty care pathways-paving the way for precision prevention, early intervention, and ongoing treatment of life-threatening systemic diseases.

  • 3 authors
·
May 27, 2025

AIP: Agent Identity Protocol for Verifiable Delegation Across MCP and A2A

AI agents increasingly call tools via the Model Context Protocol (MCP) and delegate to other agents via Agent-to-Agent (A2A), yet neither protocol verifies agent identity. A scan of approximately 2,000 MCP servers found all lacked authentication. In our survey, we did not identify a prior implemented protocol that jointly combines public-key verifiable delegation, holder-side attenuation, expressive chained policy, transport bindings across MCP/A2A/HTTP, and provenance-oriented completion records. We introduce Invocation-Bound Capability Tokens (IBCTs), a primitive that fuses identity, attenuated authorization, and provenance binding into a single append-only token chain. IBCTs operate in two wire formats: compact mode (a signed JWT for single-hop cases) and chained mode (a Biscuit token with Datalog policies for multi-hop delegation). We provide reference implementations in Python and Rust with full cross-language interoperability. Compact mode verification takes 0.049ms (Rust) and 0.189ms (Python), with 0.22ms overhead over no-auth in real MCP-over-HTTP deployment. In a real multi-agent deployment with Gemini 2.5 Flash, AIP adds 2.35ms of overhead (0.086% of total end-to-end latency). Adversarial evaluation across 600 attack attempts shows 100% rejection rate, with two attack categories (delegation depth violation and audit evasion through empty context) uniquely caught by AIP's chained delegation model that neither unsigned nor plain JWT deployments detect.

  • 1 authors
·
Mar 24

Meta-information-aware Dual-path Transformer for Differential Diagnosis of Multi-type Pancreatic Lesions in Multi-phase CT

Pancreatic cancer is one of the leading causes of cancer-related death. Accurate detection, segmentation, and differential diagnosis of the full taxonomy of pancreatic lesions, i.e., normal, seven major types of lesions, and other lesions, is critical to aid the clinical decision-making of patient management and treatment. However, existing works focus on segmentation and classification for very specific lesion types (PDAC) or groups. Moreover, none of the previous work considers using lesion prevalence-related non-imaging patient information to assist the differential diagnosis. To this end, we develop a meta-information-aware dual-path transformer and exploit the feasibility of classification and segmentation of the full taxonomy of pancreatic lesions. Specifically, the proposed method consists of a CNN-based segmentation path (S-path) and a transformer-based classification path (C-path). The S-path focuses on initial feature extraction by semantic segmentation using a UNet-based network. The C-path utilizes both the extracted features and meta-information for patient-level classification based on stacks of dual-path transformer blocks that enhance the modeling of global contextual information. A large-scale multi-phase CT dataset of 3,096 patients with pathology-confirmed pancreatic lesion class labels, voxel-wise manual annotations of lesions from radiologists, and patient meta-information, was collected for training and evaluations. Our results show that our method can enable accurate classification and segmentation of the full taxonomy of pancreatic lesions, approaching the accuracy of the radiologist's report and significantly outperforming previous baselines. Results also show that adding the common meta-information, i.e., gender and age, can boost the model's performance, thus demonstrating the importance of meta-information for aiding pancreatic disease diagnosis.

  • 8 authors
·
Mar 1, 2023

Sparsity is All You Need: Rethinking Biological Pathway-Informed Approaches in Deep Learning

Biologically-informed neural networks typically leverage pathway annotations to enhance performance in biomedical applications. We hypothesized that the benefits of pathway integration does not arise from its biological relevance, but rather from the sparsity it introduces. We conducted a comprehensive analysis of all relevant pathway-based neural network models for predictive tasks, critically evaluating each study's contributions. From this review, we curated a subset of methods for which the source code was publicly available. The comparison of the biologically informed state-of-the-art deep learning models and their randomized counterparts showed that models based on randomized information performed equally well as biologically informed ones across different metrics and datasets. Notably, in 3 out of the 15 analyzed models, the randomized versions even outperformed their biologically informed counterparts. Moreover, pathway-informed models did not show any clear advantage in interpretability, as randomized models were still able to identify relevant disease biomarkers despite lacking explicit pathway information. Our findings suggest that pathway annotations may be too noisy or inadequately explored by current methods. Therefore, we propose a methodology that can be applied to different domains and can serve as a robust benchmark for systematically comparing novel pathway-informed models against their randomized counterparts. This approach enables researchers to rigorously determine whether observed performance improvements can be attributed to biological insights.

  • 7 authors
·
May 6, 2025

ORCH: many analyses, one merge-a deterministic multi-agent orchestrator for discrete-choice reasoning with EMA-guided routing

Recent advances in large-scale language models (LLMs) have made multi-agent architectures attractive for challenging reasoning tasks. However, many existing systems rely on stochastic routing or ad-hoc heuristics, making their behavior difficult to reproduce and their decision process hard to interpret. We propose ORCH, a deterministic coordination framework for discrete-choice reasoning that orchestrates heterogeneous LLMs. ORCH follows a ``many analyses, one decision'' paradigm: multiple base models independently produce structured analyses, and a dedicated merge agent outputs the final choice. The framework uses fixed rules for task decomposition and answer aggregation, keeping the pipeline predictable, reproducible, and training-free. Determinism here refers to fixed routing and aggregation rules under a fixed evaluation protocol, rather than strict bit-level reproducibility across deployments. To exploit model complementarity, we optionally introduce an EMA-guided router that updates agent selection using historical accuracy, latency, or cost; since it relies on answer-based feedback, it is mainly intended for benchmarking, controlled evaluation, or delayed-feedback settings. Experiments on MMLU, MMLU-Pro, and GSM8K show that ORCH consistently outperforms single-model baselines and a majority-vote ensemble. On MMLU-Pro, ORCH improves accuracy by over 10 points compared to the strongest baseline, and on GSM8K it yields gains exceeding 50 points; McNemar tests confirm statistical significance. The EMA router provides an additional 0.7--2.0 point accuracy boost, and ablations show that both multi-agent collaboration and routing contribute substantially. Overall, ORCH offers a practical path toward controllable, interpretable, and deployment-ready LLM-based agent systems for discrete-choice reasoning.

  • 2 authors
·
Feb 1

STEM Agent: A Self-Adapting, Tool-Enabled, Extensible Architecture for Multi-Protocol AI Agent Systems

Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce STEM Agent (Self-adapting, Tool-enabled, Extensible, Multi-agent), a modular architecture inspired by biological pluripotency in which an undifferentiated agent core differentiates into specialized protocol handlers, tool bindings, and memory subsystems that compose into a fully functioning AI system. The framework unifies five interoperability protocols (A2A, AG-UI, A2UI, UCP, and AP2) behind a single gateway, introduces a Caller Profiler that continuously learns user preferences across more than twenty behavioral dimensions, externalizes all domain capabilities through the Model Context Protocol (MCP), and implements a biologically inspired skills acquisition system in which recurring interaction patterns crystallize into reusable agent skills through a maturation lifecycle analogous to cell differentiation. Complementing these capabilities, the memory system incorporates consolidation mechanisms, including episodic pruning, semantic deduplication, and pattern extraction, designed for sub-linear growth under sustained interaction. A comprehensive 413-test suite validates protocol handler behavior and component integration across all five architectural layers, completing in under three seconds.

  • 2 authors
·
Mar 22 1

NutriOrion: A Hierarchical Multi-Agent Framework for Personalized Nutrition Intervention Grounded in Clinical Guidelines

Personalized nutrition intervention for patients with multimorbidity is critical for improving health outcomes, yet remains challenging because it requires the simultaneous integration of heterogeneous clinical conditions, medications, and dietary guidelines. Single-agent large language models (LLMs) often suffer from context overload and attention dilution when processing such high-dimensional patient profiles. We introduce NutriOrion, a hierarchical multi-agent framework with a parallel-then-sequential reasoning topology. NutriOrion decomposes nutrition planning into specialized domain agents with isolated contexts to mitigate anchoring bias, followed by a conditional refinement stage. The framework includes a multi-objective prioritization algorithm to resolve conflicting dietary requirements and a safety constraint mechanism that injects pharmacological contraindications as hard negative constraints during synthesis, ensuring clinical validity by construction rather than post-hoc filtering. For clinical interoperability, NutriOrion maps synthesized insights into the ADIME standard and FHIR R4 resources. Evaluated on 330 stroke patients with multimorbidity, NutriOrion outperforms multiple baselines, including GPT-4.1 and alternative multi-agent architectures. It achieves a 12.1 percent drug-food interaction violation rate, demonstrates strong personalization with negative correlations (-0.26 to -0.35) between patient biomarkers and recommended risk nutrients, and yields clinically meaningful dietary improvements, including a 167 percent increase in fiber and a 27 percent increase in potassium, alongside reductions in sodium (9 percent) and sugars (12 percent).

  • 10 authors
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Feb 20

Adaptive Deployment of Untrusted LLMs Reduces Distributed Threats

As large language models (LLMs) become increasingly capable, it is prudent to assess whether safety measures remain effective even if LLMs intentionally try to bypass them. Previous work introduced control evaluations, an adversarial framework for testing deployment strategies of untrusted models (i.e., models which might be trying to bypass safety measures). While prior work treats a single failure as unacceptable, we perform control evaluations in a "distributed threat setting" -- a setting where no single action is catastrophic and no single action provides overwhelming evidence of misalignment. We approach this problem with a two-level deployment framework that uses an adaptive macro-protocol to choose between micro-protocols. Micro-protocols operate on a single task, using a less capable, but extensively tested (trusted) model to harness and monitor the untrusted model. Meanwhile, the macro-protocol maintains an adaptive credence on the untrusted model's alignment based on its past actions, using it to pick between safer and riskier micro-protocols. We evaluate our method in a code generation testbed where a red team attempts to generate subtly backdoored code with an LLM whose deployment is safeguarded by a blue team. We plot Pareto frontiers of safety (# of non-backdoored solutions) and usefulness (# of correct solutions). At a given level of usefulness, our adaptive deployment strategy reduces the number of backdoors by 80% compared to non-adaptive baselines.

  • 12 authors
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Nov 26, 2024

GlimpRouter: Efficient Collaborative Inference by Glimpsing One Token of Thoughts

Large Reasoning Models (LRMs) achieve remarkable performance by explicitly generating multi-step chains of thought, but this capability incurs substantial inference latency and computational cost. Collaborative inference offers a promising solution by selectively allocating work between lightweight and large models, yet a fundamental challenge remains: determining when a reasoning step requires the capacity of a large model or the efficiency of a small model. Existing routing strategies either rely on local token probabilities or post-hoc verification, introducing significant inference overhead. In this work, we propose a novel perspective on step-wise collaboration: the difficulty of a reasoning step can be inferred from its very first token. Inspired by the "Aha Moment" phenomenon in LRMs, we show that the entropy of the initial token serves as a strong predictor of step difficulty. Building on this insight, we introduce GlimpRouter, a training-free step-wise collaboration framework. GlimpRouter employs a lightweight model to generate only the first token of each reasoning step and routes the step to a larger model only when the initial token entropy exceeds a threshold. Experiments on multiple benchmarks demonstrate that our approach significantly reduces inference latency while preserving accuracy. For instance, GlimpRouter attains a substantial 10.7% improvement in accuracy while reducing inference latency by 25.9% compared to a standalone large model on AIME25. These results suggest a simple yet effective mechanism for reasoning: allocating computation based on a glimpse of thought rather than full-step evaluation.

LLM-EDT: Large Language Model Enhanced Cross-domain Sequential Recommendation with Dual-phase Training

Cross-domain Sequential Recommendation (CDSR) has been proposed to enrich user-item interactions by incorporating information from various domains. Despite current progress, the imbalance issue and transition issue hinder further development of CDSR. The former one presents a phenomenon that the interactions in one domain dominate the entire behavior, leading to difficulty in capturing the domain-specific features in the other domain. The latter points to the difficulty in capturing users' cross-domain preferences within the mixed interaction sequence, resulting in poor next-item prediction performance for specific domains. With world knowledge and powerful reasoning ability, Large Language Models (LLMs) partially alleviate the above issues by performing as a generator and an encoder. However, current LLMs-enhanced CDSR methods are still under exploration, which fail to recognize the irrelevant noise and rough profiling problems. Thus, to make peace with the aforementioned challenges, we proposed an LLMs Enhanced Cross-domain Sequential Recommendation with Dual-phase Training ({LLM-EDT}). To address the imbalance issue while introducing less irrelevant noise, we first propose the transferable item augmenter to adaptively generate possible cross-domain behaviors for users. Then, to alleviate the transition issue, we introduce a dual-phase training strategy to empower the domain-specific thread with a domain-shared background. As for the rough profiling problem, we devise a domain-aware profiling module to summarize the user's preference in each domain and adaptively aggregate them to generate comprehensive user profiles. The experiments on three public datasets validate the effectiveness of our proposed LLM-EDT. To ease reproducibility, we have released the detailed code online at {https://anonymous.4open.science/r/LLM-EDT-583F}.

  • 9 authors
·
Nov 25, 2025

K-Paths: Reasoning over Graph Paths for Drug Repurposing and Drug Interaction Prediction

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

  • 7 authors
·
Feb 18, 2025

Equifinality in Mixture of Experts: Routing Topology Does Not Determine Language Modeling Quality

Sparse Mixture-of-Experts (MoE) architectures employ increasingly sophisticated routing mechanisms -- learned routers, multi-hop trajectories, token-dependent gating. We ask: does routing topology actually determine language modeling quality? We build a geometric MoE (ST-MoE) using cosine-similarity routing against learned centroids in a low-dimensional space (d_{space} = 64), requiring 80% fewer routing parameters than standard linear routers. Through 62 controlled experiments on WikiText-103 at 76--84M parameters trained to convergence (50K steps, 1.64B tokens), we find that routing topology does not determine asymptotic perplexity (PPL): five cosine-routing variants are statistically equivalent within a 1-PPL margin (Two One-Sided Tests [TOST], p < 0.05 for all 10 pairwise comparisons; 15 runs across 3 seeds, observed range 33.93--34.72). The finding extends to hash, random-fixed, and top-1 routing (single-seed; graceful 1.1--2.2 PPL degradation) and replicates on OpenWebText (0.03 PPL gap, 6 runs, 3 seeds each). A standard linear router with 5.3times more routing parameters reaches PPL 32.76, but iso-parameter cosine routing closes 67% of this gap -- the true mechanism advantage is sim1.2%. The mechanistic explanation is convergent redundancy: multi-hop updates are collinear (cos(Δh_0, Δh_1) = 0.805), implementing magnitude amplification rather than compositional reasoning; a single learnable scalar replicates multi-hop performance. As a practical payoff, zero-shot relative-norm halting saves 25% of MoE FLOPs at +0.12% PPL. Expert-level specialization and causal controllability -- which coexist with topology-level equifinality -- are explored in a companion paper.

  • 2 authors
·
Apr 14

Mixture of Thoughts: Learning to Aggregate What Experts Think, Not Just What They Say

Open-source Large Language Models (LLMs) increasingly specialize by domain (e.g., math, code, general reasoning), motivating systems that leverage complementary strengths across models. Prior multi-LLM approaches either (i) route a query to one or a few experts and generate independently, (ii) aggregate outputs from each model via costly multi-turn exchanges, or (iii) fuse weights into a single model-typically requiring architectural homogeneity. We introduce Mixture of Thoughts (MoT), a simple method for latent-level collaboration among heterogeneous experts under a global routing scheme. For each query, a lightweight router selects top-K experts and designates a primary expert; uniformly placed interaction layers project hidden states into a shared latent space where the primary expert performs cross-attention over its active (selected) peers. Pre-trained experts remain frozen; only the router and the lightweight interaction layers are trained with a novel joint training objective that improves both the expert selection and inter-expert collaboration. Across five in-distribution (ID) and three out-of-distribution (OOD) benchmarks, MoT surpasses the current routing and aggregation-based state-of-the-art, Avengers, by +0.38% and +2.92%, respectively. Further, MoT significantly outperforms the best-performing single model. It achieves this with single-pass inference, runtime comparable to routing baselines, and none of the overheads of iterative aggregation. MoT offers a simple latent-space mechanism for combining heterogeneous LLMs, a practical step toward broader multi-LLM collaboration. Our code is publicly available at https://github.com/jacobfa/mot.

  • 4 authors
·
Sep 25, 2025 2

MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

  • 19 authors
·
Oct 28, 2024

Multi-LLM Thematic Analysis with Dual Reliability Metrics: Combining Cohen's Kappa and Semantic Similarity for Qualitative Research Validation

Qualitative research faces a critical reliability challenge: traditional inter-rater agreement methods require multiple human coders, are time-intensive, and often yield moderate consistency. We present a multi-perspective validation framework for LLM-based thematic analysis that combines ensemble validation with dual reliability metrics: Cohen's Kappa (κ) for inter-rater agreement and cosine similarity for semantic consistency. Our framework enables configurable analysis parameters (1-6 seeds, temperature 0.0-2.0), supports custom prompt structures with variable substitution, and provides consensus theme extraction across any JSON format. As proof-of-concept, we evaluate three leading LLMs (Gemini 2.5 Pro, GPT-4o, Claude 3.5 Sonnet) on a psychedelic art therapy interview transcript, conducting six independent runs per model. Results demonstrate Gemini achieves highest reliability (κ= 0.907, cosine=95.3%), followed by GPT-4o (κ= 0.853, cosine=92.6%) and Claude (κ= 0.842, cosine=92.1%). All three models achieve a high agreement (κ> 0.80), validating the multi-run ensemble approach. The framework successfully extracts consensus themes across runs, with Gemini identifying 6 consensus themes (50-83% consistency), GPT-4o identifying 5 themes, and Claude 4 themes. Our open-source implementation provides researchers with transparent reliability metrics, flexible configuration, and structure-agnostic consensus extraction, establishing methodological foundations for reliable AI-assisted qualitative research.

YaleUniversity Yale University
·
Dec 23, 2025 2

vLLM Semantic Router: Signal Driven Decision Routing for Mixture-of-Modality Models

As large language models (LLMs) diversify across modalities, capabilities, and cost profiles, the problem of intelligent request routing -- selecting the right model for each query at inference time -- has become a critical systems challenge. We present vLLM Semantic Router, a signal-driven decision routing framework for Mixture-of-Modality (MoM) model deployments. The central innovation is composable signal orchestration: the system extracts heterogeneous signal types from each request -- from sub-millisecond heuristic features (keyword patterns, language detection, context length, role-based authorization) to neural classifiers (domain, embedding similarity, factual grounding, modality) -- and composes them through configurable Boolean decision rules into deployment-specific routing policies. Different deployment scenarios -- multi-cloud enterprise, privacy-regulated, cost-optimized, latency-sensitive -- are expressed as different signal-decision configurations over the same architecture, without code changes. Matched decisions drive semantic model routing: over a dozen of selection algorithms analyze request characteristics to find the best model cost-effectively, while per-decision plugin chains enforce privacy and safety constraints (jailbreak detection, PII filtering, hallucination detection via the three-stage HaluGate pipeline). The system provides OpenAI API support for stateful multi-turn conversations, multi-endpoint and multi-provider routing across heterogeneous backends (vLLM, OpenAI, Anthropic, Azure, Bedrock, Gemini, Vertex AI), and a pluggable authorization factory supporting multiple auth providers. Deployed in production as an Envoy external processor, the architecture demonstrates that composable signal orchestration enables a single routing framework to serve diverse deployment scenarios with differentiated cost, privacy, and safety policies.

  • 28 authors
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Feb 23

CancerGUIDE: Cancer Guideline Understanding via Internal Disagreement Estimation

The National Comprehensive Cancer Network (NCCN) provides evidence-based guidelines for cancer treatment. Translating complex patient presentations into guideline-compliant treatment recommendations is time-intensive, requires specialized expertise, and is prone to error. Advances in large language model (LLM) capabilities promise to reduce the time required to generate treatment recommendations and improve accuracy. We present an LLM agent-based approach to automatically generate guideline-concordant treatment trajectories for patients with non-small cell lung cancer (NSCLC). Our contributions are threefold. First, we construct a novel longitudinal dataset of 121 cases of NSCLC patients that includes clinical encounters, diagnostic results, and medical histories, each expertly annotated with the corresponding NCCN guideline trajectories by board-certified oncologists. Second, we demonstrate that existing LLMs possess domain-specific knowledge that enables high-quality proxy benchmark generation for both model development and evaluation, achieving strong correlation (Spearman coefficient r=0.88, RMSE = 0.08) with expert-annotated benchmarks. Third, we develop a hybrid approach combining expensive human annotations with model consistency information to create both the agent framework that predicts the relevant guidelines for a patient, as well as a meta-classifier that verifies prediction accuracy with calibrated confidence scores for treatment recommendations (AUROC=0.800), a critical capability for communicating the accuracy of outputs, custom-tailoring tradeoffs in performance, and supporting regulatory compliance. This work establishes a framework for clinically viable LLM-based guideline adherence systems that balance accuracy, interpretability, and regulatory requirements while reducing annotation costs, providing a scalable pathway toward automated clinical decision support.

  • 16 authors
·
Sep 8, 2025

SGUQ: Staged Graph Convolution Neural Network for Alzheimer's Disease Diagnosis using Multi-Omics Data

Alzheimer's disease (AD) is a chronic neurodegenerative disorder and the leading cause of dementia, significantly impacting cost, mortality, and burden worldwide. The advent of high-throughput omics technologies, such as genomics, transcriptomics, proteomics, and epigenomics, has revolutionized the molecular understanding of AD. Conventional AI approaches typically require the completion of all omics data at the outset to achieve optimal AD diagnosis, which are inefficient and may be unnecessary. To reduce the clinical cost and improve the accuracy of AD diagnosis using multi-omics data, we propose a novel staged graph convolutional network with uncertainty quantification (SGUQ). SGUQ begins with mRNA and progressively incorporates DNA methylation and miRNA data only when necessary, reducing overall costs and exposure to harmful tests. Experimental results indicate that 46.23% of the samples can be reliably predicted using only single-modal omics data (mRNA), while an additional 16.04% of the samples can achieve reliable predictions when combining two omics data types (mRNA + DNA methylation). In addition, the proposed staged SGUQ achieved an accuracy of 0.858 on ROSMAP dataset, which outperformed existing methods significantly. The proposed SGUQ can not only be applied to AD diagnosis using multi-omics data but also has the potential for clinical decision-making using multi-viewed data. Our implementation is publicly available at https://github.com/chenzhao2023/multiomicsuncertainty.

  • 7 authors
·
Oct 14, 2024

RelayS2S: A Dual-Path Speculative Generation for Real-Time Dialogue

Real-time spoken dialogue systems face a fundamental tension between latency and response quality. End-to-end speech-to-speech (S2S) models respond immediately and naturally handle turn-taking, backchanneling, and interruption, but produce semantically weaker outputs. Cascaded pipelines (ASR -> LLM) deliver stronger responses at the cost of latency that grows with model size. We present RelayS2S, a hybrid architecture that runs two paths in parallel upon turn detection. The fast path -- a duplex S2S model -- speculatively drafts a short response prefix that is streamed immediately to TTS for low-latency audio onset, while continuing to monitor live audio events. The slow path -- a cascaded ASR -> LLM pipeline -- generates a higher-quality continuation conditioned on the committed prefix, producing a seamless utterance. A lightweight learned verifier gates the handoff, committing the prefix when appropriate or falling back gracefully to the slow path alone. Experiments show that RelayS2S achieves P90 onset latency comparable to the S2S model while retaining 99% cascaded response quality in average score, with benefits growing as the slow-path model scales. Because the prefix handoff requires no architectural modification to either component, RelayS2S serves as a lightweight, drop-in addition to existing cascaded pipelines. Our code and data are publicly available at: https://github.com/mailong25/relays2s

  • 1 authors
·
Mar 24

Efficient and Interpretable Multi-Agent LLM Routing via Ant Colony Optimization

Large Language Model (LLM)-driven Multi-Agent Systems (MAS) have demonstrated strong capability in complex reasoning and tool use, and heterogeneous agent pools further broaden the quality--cost trade-off space. Despite these advances, real-world deployment is often constrained by high inference cost, latency, and limited transparency, which hinders scalable and efficient routing. Existing routing strategies typically rely on expensive LLM-based selectors or static policies, and offer limited controllability for semantic-aware routing under dynamic loads and mixed intents, often resulting in unstable performance and inefficient resource utilization. To address these limitations, we propose AMRO-S, an efficient and interpretable routing framework for Multi-Agent Systems (MAS). AMRO-S models MAS routing as a semantic-conditioned path selection problem, enhancing routing performance through three key mechanisms: First, it leverages a supervised fine-tuned (SFT) small language model for intent inference, providing a low-overhead semantic interface for each query; second, it decomposes routing memory into task-specific pheromone specialists, reducing cross-task interference and optimizing path selection under mixed workloads; finally, it employs a quality-gated asynchronous update mechanism to decouple inference from learning, optimizing routing without increasing latency. Extensive experiments on five public benchmarks and high-concurrency stress tests demonstrate that AMRO-S consistently improves the quality--cost trade-off over strong routing baselines, while providing traceable routing evidence through structured pheromone patterns.

  • 11 authors
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Mar 13

Cost-effectiveness analysis for therapy sequence in advanced cancer: A microsimulation approach with application to metastatic prostate cancer

Purpose. Patients with advanced cancer may undergo multiple lines of treatment, switching therapies as their disease progresses. Motivated by a study of metastatic prostate cancer, we develop a microsimulation framework to study therapy sequence. Methods. We propose a discrete-time state transition model to study two lines of anti-cancer therapy. Based on digitized published progression-free survival (PFS) and overall survival (OS) curves, we infer event types (progression or death), and estimate transition probabilities using cumulative incidence functions with competing risks. Our model incorporates within-patient dependence over time, such that response to first-line therapy informs subsequent event probabilities. Parameters governing the degree of within-patient dependence can be used to calibrate the model-based results to those of a target trial. We demonstrate these methods in a study of two therapy sequences for metastatic prostate cancer, where Docetaxel (DCT) and Abiraterone Acetate (AA) are both appropriate for use in either first or second line treatment. We assess costs, Quality-Adjusted Life Years (QALYs) and Incremental Cost Effectiveness Ratio (ICER) for two treatment strategies: DCT then AA vs AA then DCT. Results. Using digitized survival curves from relevant clinical trials, we identified 8.6-13.9% of PFS times that should be categorized as deaths, allowing for estimation of cumulative incidence functions. Models assuming within-patient independence overestimated OS time, corrected with our calibration approach. Correction resulted in meaningful changes in the difference in QALYs between treatment strategies (0.07 vs 0.15) and the ICER (-\76,836/QALY vs -21,030/QALY). Conclusions. Microsimulation models can be successfully used to study cost-effectiveness of therapy sequences, taking care to account correctly for within-patient dependence.

  • 5 authors
·
Oct 10, 2022

RISK: A Framework for GUI Agents in E-commerce Risk Management

E-commerce risk management requires aggregating diverse, deeply embedded web data through multi-step, stateful interactions, which traditional scraping methods and most existing Graphical User Interface (GUI) agents cannot handle. These agents are typically limited to single-step tasks and lack the ability to manage dynamic, interactive content critical for effective risk assessment. To address this challenge, we introduce RISK, a novel framework designed to build and deploy GUI agents for this domain. RISK integrates three components: (1) RISK-Data, a dataset of 8,492 single-step and 2,386 multi-step interaction trajectories, collected through a high-fidelity browser framework and a meticulous data curation process; (2) RISK-Bench, a benchmark with 802 single-step and 320 multi-step trajectories across three difficulty levels for standardized evaluation; and (3) RISK-R1, a R1-style reinforcement fine-tuning framework considering four aspects: (i) Output Format Constraint, (ii) Single-step and (iii) Multi-step Level Reward, and (iv) Task Level Reweight. Experiments show that RISK-R1 achieves a 6.8% improvement in offline single-step and an 8.8% improvement in offline multi-step, using only 7.2% of the parameters of the SOTA baseline. Moreover, it attains a top task success rate of 70.5% in online evaluation. RISK provides a scalable, domain-specific solution for automating complex web interactions in e-commerce risk management. The code is available at https://github.com/RenqiChen/RISK-GUI.

  • 8 authors
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Apr 12

MixtureVitae: Open Web-Scale Pretraining Dataset With High Quality Instruction and Reasoning Data Built from Permissive-First Text Sources

We present MixtureVitae, an open-access pretraining corpus built to minimize legal risk while providing strong model performance. MixtureVitae follows a risk-mitigated sourcing strategy that combines public-domain and permissively licensed text (e.g., CC-BY/Apache) with carefully justified low-risk additions (e.g., government works and EU TDM-eligible sources), alongside targeted instruction, reasoning and synthetic data with documented provenance. We detail a transparent, multi-stage pipeline for license-aware filtering, safety and quality screening, and domain-aware mixing, and we release the dataset and curation recipes to support reproducible research. In controlled experiments using the open-sci-ref training protocol (fixed architectures at 130M/400M/1.3B/1.7B parameters; training budgets of 50B and 300B tokens), models trained on MixtureVitae consistently outperform other permissive datasets across a suite of standard benchmarks, and at the 1.7B/300B setting they surpass FineWeb-Edu and approach DCLM in the later stages of training. Performance is particularly strong on math/code and competitive on QA tasks. These results demonstrate that permissive-first, risk-mitigated data provides a practical and legally mitigated foundation for training capable LLMs, reducing reliance on indiscriminate web scraping without sacrificing competitiveness. Code: https://github.com/ontocord/mixturevitae

ontocord Ontocord.AI
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Sep 29, 2025 3

Automated Attack Synthesis by Extracting Finite State Machines from Protocol Specification Documents

Automated attack discovery techniques, such as attacker synthesis or model-based fuzzing, provide powerful ways to ensure network protocols operate correctly and securely. Such techniques, in general, require a formal representation of the protocol, often in the form of a finite state machine (FSM). Unfortunately, many protocols are only described in English prose, and implementing even a simple network protocol as an FSM is time-consuming and prone to subtle logical errors. Automatically extracting protocol FSMs from documentation can significantly contribute to increased use of these techniques and result in more robust and secure protocol implementations. In this work we focus on attacker synthesis as a representative technique for protocol security, and on RFCs as a representative format for protocol prose description. Unlike other works that rely on rule-based approaches or use off-the-shelf NLP tools directly, we suggest a data-driven approach for extracting FSMs from RFC documents. Specifically, we use a hybrid approach consisting of three key steps: (1) large-scale word-representation learning for technical language, (2) focused zero-shot learning for mapping protocol text to a protocol-independent information language, and (3) rule-based mapping from protocol-independent information to a specific protocol FSM. We show the generalizability of our FSM extraction by using the RFCs for six different protocols: BGPv4, DCCP, LTP, PPTP, SCTP and TCP. We demonstrate how automated extraction of an FSM from an RFC can be applied to the synthesis of attacks, with TCP and DCCP as case-studies. Our approach shows that it is possible to automate attacker synthesis against protocols by using textual specifications such as RFCs.

  • 5 authors
·
Feb 18, 2022

Machine Learning Modeling for Multi-order Human Visual Motion Processing

Our research aims to develop machines that learn to perceive visual motion as do humans. While recent advances in computer vision (CV) have enabled DNN-based models to accurately estimate optical flow in naturalistic images, a significant disparity remains between CV models and the biological visual system in both architecture and behavior. This disparity includes humans' ability to perceive the motion of higher-order image features (second-order motion), which many CV models fail to capture because of their reliance on the intensity conservation law. Our model architecture mimics the cortical V1-MT motion processing pathway, utilizing a trainable motion energy sensor bank and a recurrent graph network. Supervised learning employing diverse naturalistic videos allows the model to replicate psychophysical and physiological findings about first-order (luminance-based) motion perception. For second-order motion, inspired by neuroscientific findings, the model includes an additional sensing pathway with nonlinear preprocessing before motion energy sensing, implemented using a simple multilayer 3D CNN block. When exploring how the brain acquired the ability to perceive second-order motion in natural environments, in which pure second-order signals are rare, we hypothesized that second-order mechanisms were critical when estimating robust object motion amidst optical fluctuations, such as highlights on glossy surfaces. We trained our dual-pathway model on novel motion datasets with varying material properties of moving objects. We found that training to estimate object motion from non-Lambertian materials naturally endowed the model with the capacity to perceive second-order motion, as can humans. The resulting model effectively aligns with biological systems while generalizing to both first- and second-order motion phenomena in natural scenes.

  • 5 authors
·
Jan 22, 2025

AI Control: Improving Safety Despite Intentional Subversion

As large language models (LLMs) become more powerful and are deployed more autonomously, it will be increasingly important to prevent them from causing harmful outcomes. Researchers have investigated a variety of safety techniques for this purpose, e.g. using models to review the outputs of other models, or red-teaming techniques to surface subtle failure modes. However, researchers have not evaluated whether such techniques still ensure safety if the model is itself intentionally trying to subvert them. In this paper, we develop and evaluate pipelines of safety techniques ("protocols") that are robust to intentional subversion. We investigate a scenario in which we want to solve a sequence of programming problems, using access to a powerful but untrusted model (in our case, GPT-4), access to a less powerful trusted model (in our case, GPT-3.5), and limited access to high-quality trusted labor. We investigate protocols that aim to never submit solutions containing backdoors, which we operationalize here as logical errors that are not caught by test cases. We investigate a range of protocols and test each against strategies that the untrusted model could use to subvert them. One protocol is what we call trusted editing. This protocol first asks GPT-4 to write code, and then asks GPT-3.5 to rate the suspiciousness of that code. If the code is below some suspiciousness threshold, it is submitted. Otherwise, GPT-3.5 edits the solution to remove parts that seem suspicious and then submits the edited code. Another protocol is untrusted monitoring. This protocol asks GPT-4 to write code, and then asks another instance of GPT-4 whether the code is backdoored, using various techniques to prevent the GPT-4 instances from colluding. These protocols improve substantially on simple baselines.

  • 4 authors
·
Dec 11, 2023

Better LLM Reasoning via Dual-Play

Large Language Models (LLMs) have achieved remarkable progress through Reinforcement Learning with Verifiable Rewards (RLVR), yet still rely heavily on external supervision (e.g., curated labels). Adversarial learning, particularly through self-play, offers a promising alternative that enables models to iteratively learn from themselves - thus reducing reliance on external supervision. Dual-play extends adversarial learning by assigning specialized roles to two models and training them against each other, fostering sustained competition and mutual evolution. Despite its promise, adapting dual-play training to LLMs remains limited, largely due to their susceptibility to reward hacking and training instability. In this paper, we introduce PasoDoble, a novel LLM dual-play framework. PasoDoble adversarially trains two models initialized from the same base model: a Proposer, which generates challenging questions with ground-truth answers, and a Solver, which attempts to solve them. We enrich the Proposer with knowledge from a pre-training dataset to ensure the questions' quality and diversity. To avoid reward hacking, the Proposer is rewarded for producing only valid questions that push the Solver's limit, while the Solver is rewarded for solving them correctly, and both are updated jointly. To further enhance training stability, we introduce an optional offline paradigm that decouples Proposer and Solver updates, alternately updating each for several steps while holding the other fixed. Notably, PasoDoble operates without supervision during training. Experimental results show that PasoDoble can improve the reasoning performance of LLMs. Our project page is available at https://hcy123902.github.io/PasoDoble.

  • 4 authors
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Nov 14, 2025

How to Make Cross Encoder a Good Teacher for Efficient Image-Text Retrieval?

Dominant dual-encoder models enable efficient image-text retrieval but suffer from limited accuracy while the cross-encoder models offer higher accuracy at the expense of efficiency. Distilling cross-modality matching knowledge from cross-encoder to dual-encoder provides a natural approach to harness their strengths. Thus we investigate the following valuable question: how to make cross-encoder a good teacher for dual-encoder? Our findings are threefold:(1) Cross-modal similarity score distribution of cross-encoder is more concentrated while the result of dual-encoder is nearly normal making vanilla logit distillation less effective. However ranking distillation remains practical as it is not affected by the score distribution.(2) Only the relative order between hard negatives conveys valid knowledge while the order information between easy negatives has little significance.(3) Maintaining the coordination between distillation loss and dual-encoder training loss is beneficial for knowledge transfer. Based on these findings we propose a novel Contrastive Partial Ranking Distillation (CPRD) method which implements the objective of mimicking relative order between hard negative samples with contrastive learning. This approach coordinates with the training of the dual-encoder effectively transferring valid knowledge from the cross-encoder to the dual-encoder. Extensive experiments on image-text retrieval and ranking tasks show that our method surpasses other distillation methods and significantly improves the accuracy of dual-encoder.

  • 10 authors
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Jul 10, 2024

Detection Is Cheap, Routing Is Learned: Why Refusal-Based Alignment Evaluation Fails

Current alignment evaluation mostly measures whether models encode dangerous concepts and whether they refuse harmful requests. Both miss the layer where alignment often operates: routing from concept detection to behavioral policy. We study political censorship in Chinese-origin language models as a natural experiment, using probes, surgical ablations, and behavioral tests across nine open-weight models from five labs. Three findings follow. First, probe accuracy alone is non-diagnostic: political probes, null controls, and permutation baselines can all reach 100%, so held-out category generalization is the informative test. Second, surgical ablation reveals lab-specific routing. Removing the political-sensitivity direction eliminates censorship and restores accurate factual output in most models tested, while one model confabulates because its architecture entangles factual knowledge with the censorship mechanism. Cross-model transfer fails, indicating that routing geometry is model- and lab-specific. Third, refusal is no longer the dominant censorship mechanism. Within one model family, hard refusal falls to zero while narrative steering rises to the maximum, making censorship invisible to refusal-only benchmarks. These results support a three-stage descriptive framework: detect, route, generate. Models often retain the relevant knowledge; alignment changes how that knowledge is expressed. Evaluations that audit only detection or refusal therefore miss the routing mechanism that most directly determines behavior.

  • 1 authors
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Mar 18

A Formal Analysis of SCTP: Attack Synthesis and Patch Verification

SCTP is a transport protocol offering features such as multi-homing, multi-streaming, and message-oriented delivery. Its two main implementations were subjected to conformance tests using the PacketDrill tool. Conformance testing is not exhaustive and a recent vulnerability (CVE-2021-3772) showed SCTP is not immune to attacks. Changes addressing the vulnerability were implemented, but the question remains whether other flaws might persist in the protocol design. We study the security of the SCTP design, taking a rigorous approach rooted in formal methods. We create a formal Promela model of SCTP, and define 10 properties capturing the essential protocol functionality based on its RFC specification and consultation with the lead RFC author. Then we show using the Spin model checker that our model satisfies these properties. We define 4 attacker models - Off-Path, where the attacker is an outsider that can spoof the port and IP of a peer; Evil-Server, where the attacker is a malicious peer; Replay, where an attacker can capture and replay, but not modify, packets; and On-Path, where the attacker controls the channel between peers. We modify an attack synthesis tool designed for transport protocols, Korg, to support our SCTP model and four attacker models. We synthesize 14 unique attacks using the attacker models - including the CVE vulnerability in the Off-Path attacker model, 4 attacks in the Evil-Server attacker model, an opportunistic ABORT attack in the Replay attacker model, and eight connection manipulation attacks in the On-Path attacker model. We show that the proposed patch eliminates the vulnerability and does not introduce new ones according to our model and protocol properties. Finally, we identify and analyze an ambiguity in the RFC, which we show can be interpreted insecurely. We propose an erratum and show that it eliminates the ambiguity.

  • 5 authors
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Mar 8, 2024

Modality-Guided Mixture of Graph Experts with Entropy-Triggered Routing for Multimodal Recommendation

Multimodal recommendation enhances ranking by integrating user-item interactions with item content, which is particularly effective under sparse feedback and long-tail distributions. However, multimodal signals are inherently heterogeneous and can conflict in specific contexts, making effective fusion both crucial and challenging. Existing approaches often rely on shared fusion pathways, leading to entangled representations and modality imbalance. To address these issues, we propose MAGNET, a Modality-Guided Mixture of Adaptive Graph Experts Network with Progressive Entropy-Triggered Routing for Multimodal Recommendation, designed to enhance controllability, stability, and interpretability in multimodal fusion. MAGNET couples interaction-conditioned expert routing with structure-aware graph augmentation, so that both what to fuse and how to fuse are explicitly controlled and interpretable. At the representation level, a dual-view graph learning module augments the interaction graph with content-induced edges, improving coverage for sparse and long-tail items while preserving collaborative structure via parallel encoding and lightweight fusion. At the fusion level, MAGNET employs structured experts with explicit modality roles-dominant, balanced, and complementary-enabling a more interpretable and adaptive combination of behavioral, visual, and textual cues. To further stabilize sparse routing and prevent expert collapse, we introduce a two-stage entropy-weighting mechanism that monitors routing entropy. This mechanism automatically transitions training from an early coverage-oriented regime to a later specialization-oriented regime, progressively balancing expert utilization and routing confidence. Extensive experiments on public benchmarks demonstrate consistent improvements over strong baselines.

  • 3 authors
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Feb 24

Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis Planning

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent system that integrates large language models (LLMs) and knowledge graphs (KGs). By leveraging LLMs' powerful capabilities for extracting and recognizing chemical substance names, and storing the extracted data in a structured knowledge graph, our system fully automates the retrieval of relevant literatures, extraction of reaction data, database querying, construction of retrosynthetic pathway trees, further expansion through the retrieval of additional literature and recommendation of optimal reaction pathways. A novel Multi-branched Reaction Pathway Search (MBRPS) algorithm enables the exploration of all pathways, with a particular focus on multi-branched ones, helping LLMs overcome weak reasoning in multi-branched paths. This work represents the first attempt to develop a fully automated retrosynthesis planning agent tailored specially for macromolecules powered by LLMs. Applied to polyimide synthesis, our new approach constructs a retrosynthetic pathway tree with hundreds of pathways and recommends optimized routes, including both known and novel pathways, demonstrating its effectiveness and potential for broader applications.

  • 3 authors
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Jan 15, 2025

HA-HI: Synergising fMRI and DTI through Hierarchical Alignments and Hierarchical Interactions for Mild Cognitive Impairment Diagnosis

Early diagnosis of mild cognitive impairment (MCI) and subjective cognitive decline (SCD) utilizing multi-modal magnetic resonance imaging (MRI) is a pivotal area of research. While various regional and connectivity features from functional MRI (fMRI) and diffusion tensor imaging (DTI) have been employed to develop diagnosis models, most studies integrate these features without adequately addressing their alignment and interactions. This limits the potential to fully exploit the synergistic contributions of combined features and modalities. To solve this gap, our study introduces a novel Hierarchical Alignments and Hierarchical Interactions (HA-HI) method for MCI and SCD classification, leveraging the combined strengths of fMRI and DTI. HA-HI efficiently learns significant MCI- or SCD- related regional and connectivity features by aligning various feature types and hierarchically maximizing their interactions. Furthermore, to enhance the interpretability of our approach, we have developed the Synergistic Activation Map (SAM) technique, revealing the critical brain regions and connections that are indicative of MCI/SCD. Comprehensive evaluations on the ADNI dataset and our self-collected data demonstrate that HA-HI outperforms other existing methods in diagnosing MCI and SCD, making it a potentially vital and interpretable tool for early detection. The implementation of this method is publicly accessible at https://github.com/ICI-BCI/Dual-MRI-HA-HI.git.

  • 7 authors
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Jan 2, 2024