Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high standard. Modern AI-enabled by powerful computing, large biomedical databases, and breakthroughs in deep learning-offers a new hope to break this loop as AI is rapidly maturing, ready to make a huge impact in the area. In this paper we review recent advances in AI methodologies that aim to crack this challenge. We organize the vast and rapidly growing literature of AI for drug discovery into three relatively stable sub-areas: (a) representation learning over molecular sequences and geometric graphs; (b) data-driven reasoning where we predict molecular properties and their binding, optimize existing compounds, generate de novo molecules, and plan the synthesis of target molecules; and (c) knowledge-based reasoning where we discuss the construction and reasoning over biomedical knowledge graphs. We will also identify open challenges and chart possible research directions for the years to come.
How can we use AI to discover a new state of the art for a scientific problem? Prior work in test-time scaling, such as AlphaEvolve, performs search by prompting a frozen LLM. We perform reinforcement learning at test time, so the LLM can continue to train, but now with experience specific to the test problem. This form of continual learning is quite special, because its goal is to produce one great solution rather than many good ones on average, and to solve this very problem rather than generalize to other problems. Therefore, our learning objective and search subroutine are designed to prioritize the most promising solutions. We call this method Test-Time Training to Discover (TTT-Discover). Following prior work, we focus on problems with continuous rewards. We report results for every problem we attempted, across mathematics, GPU kernel engineering, algorithm design, and biology. TTT-Discover sets the new state of the art in almost all of them: (i) Erdős' minimum overlap problem and an autocorrelation inequality; (ii) a GPUMode kernel competition (up to $2\times$ faster than prior art); (iii) past AtCoder algorithm competitions; and (iv) denoising problem in single-cell analysi
Type 2 diabetes prevention and treatment can benefit from personalized lifestyle prescriptions. However, the delivery of personalized lifestyle medicine prescriptions is limited by the shortage of trained professionals and the variability in physicians' expertise. We propose an offline contextual bandit approach that learns individualized lifestyle prescriptions from the aggregated NHANES profiles of 119,555 participants by minimizing the Magni glucose risk-reward function. The model encodes patient status and generates lifestyle medicine prescriptions, which are trained using a mixed-action Soft Actor-Critic algorithm. The task is treated as a single-step contextual bandit. The model is validated against lifestyle medicine prescriptions issued by three certified physicians from Xiangya Hospital. These results demonstrate that offline mixed-action SAC can generate risk-aware lifestyle medicine prescriptions from cross-sectional NHANES data, warranting prospective clinical validation.
Model Medicine is the science of understanding, diagnosing, treating, and preventing disorders in AI models, grounded in the principle that AI models -- like biological organisms -- have internal structures, dynamic processes, heritable traits, observable symptoms, classifiable conditions, and treatable states. This paper introduces Model Medicine as a research program, bridging the gap between current AI interpretability research (anatomical observation) and the systematic clinical practice that complex AI systems increasingly require. We present five contributions: (1) a discipline taxonomy organizing 15 subdisciplines across four divisions -- Basic Model Sciences, Clinical Model Sciences, Model Public Health, and Model Architectural Medicine; (2) the Four Shell Model (v3.3), a behavioral genetics framework empirically grounded in 720 agents and 24,923 decisions from the Agora-12 program, explaining how model behavior emerges from Core--Shell interaction; (3) Neural MRI (Model Resonance Imaging), a working open-source diagnostic tool mapping five medical neuroimaging modalities to AI interpretability techniques, validated through four clinical cases demonstrating imaging, compari
The revolutionary progress in development of next-generation sequencing (NGS) technologies has made it possible to deliver accurate genomic information in a timely manner. Over the past several years, NGS has transformed biomedical and clinical research and found its application in the field of personalized medicine. Here we discuss the rise of personalized medicine and the history of NGS. We discuss current applications and uses of NGS in medicine, including infectious diseases, oncology, genomic medicine, and dermatology. We provide a brief discussion of selected studies where NGS was used to respond to wide variety of questions in biomedical research and clinical medicine. Finally, we discuss the challenges of implementing NGS into routine clinical use.
Artificial intelligence (AI) has become increasingly central to precision medicine by enabling the integration and interpretation of multimodal data, yet implementation in clinical settings remains limited. This paper provides a scoping review of literature from 2019-2024 on the implementation of AI in precision medicine, identifying key barriers and enablers across data quality, clinical reliability, workflow integration, and governance. Through an ecosystem-based framework, we highlight the interdependent relationships shaping real-world translation and propose future directions to support trustworthy and sustainable implementation.
With the increasing interest in deploying Artificial Intelligence in medicine, we previously introduced HAIM (Holistic AI in Medicine), a framework that fuses multimodal data to solve downstream clinical tasks. However, HAIM uses data in a task-agnostic manner and lacks explainability. To address these limitations, we introduce xHAIM (Explainable HAIM), a novel framework leveraging Generative AI to enhance both prediction and explainability through four structured steps: (1) automatically identifying task-relevant patient data across modalities, (2) generating comprehensive patient summaries, (3) using these summaries for improved predictive modeling, and (4) providing clinical explanations by linking predictions to patient-specific medical knowledge. Evaluated on the HAIM-MIMIC-MM dataset, xHAIM improves average AUC from 79.9% to 90.3% across chest pathology and operative tasks. Importantly, xHAIM transforms AI from a black-box predictor into an explainable decision support system, enabling clinicians to interactively trace predictions back to relevant patient data, bridging AI advancements with clinical utility.
The practice of bloodletting gradually fell into disfavor as a growing body of scientific evidence showed its ineffectiveness and demonstrated the effectiveness of various pharmaceuticals for the prevention and treatment of certain diseases. At the same time, the patent medicine industry promoted ineffective remedies at medicine shows featuring entertainment, testimonials, and pseudo-scientific claims with all the trappings--but none of the methodology--of science. Today, many producing parties and eDiscovery vendors similarly promote obsolete technology as well as unvetted tools labeled "artificial intelligence" or "technology-assisted review," along with unsound validation protocols. This situation will end only when eDiscovery technologies and tools are subject to testing using the methods of information retrieval.
This article explores the critical role of statistical analysis in precision medicine. It discusses how personalized healthcare is enhanced by statistical methods that interpret complex, multidimensional datasets, focusing on predictive modeling, machine learning algorithms, and data visualization techniques. The paper addresses challenges in data integration and interpretation, particularly with diverse data sources like electronic health records (EHRs) and genomic data. It also delves into ethical considerations such as patient privacy and data security. In addition, the paper highlights the evolution of statistical analysis in medicine, core statistical methodologies in precision medicine, and future directions in the field, emphasizing the integration of artificial intelligence (AI) and machine learning (ML).
With the growing use of transformer-based language models in medicine, it is unclear how well these models generalize to nuclear medicine which has domain-specific vocabulary and unique reporting styles. In this study, we evaluated the value of domain adaptation in nuclear medicine by adapting language models for the purpose of 5-point Deauville score prediction based on clinical 18F-fluorodeoxyglucose (FDG) PET/CT reports. We retrospectively retrieved 4542 text reports and 1664 images for FDG PET/CT lymphoma exams from 2008-2018 in our clinical imaging database. Deauville scores were removed from the reports and then the remaining text in the reports was used as the model input. Multiple general-purpose transformer language models were used to classify the reports into Deauville scores 1-5. We then adapted the models to the nuclear medicine domain using masked language modeling and assessed its impact on classification performance. The language models were compared against vision models, a multimodal vision language model, and a nuclear medicine physician with seven-fold Monte Carlo cross validation, reported are the mean and standard deviations. Domain adaption improved all langu
This report presents a small language model (SLM) for Japanese clinical and medicine, named NCVC-slm-1. This 1B parameters model was trained using Japanese text classified to be of high-quality. Moreover, NCVC-slm-1 was augmented with respect to clinical and medicine content that includes the variety of diseases, drugs, and examinations. Using a carefully designed pre-processing, a specialized morphological analyzer and tokenizer, this small and light-weight model performed not only to generate text but also indicated the feasibility of understanding clinical and medicine text. In comparison to other large language models, a fine-tuning NCVC-slm-1 demonstrated the highest scores on 6 tasks of total 8 on JMED-LLM. According to this result, SLM indicated the feasibility of performing several downstream tasks in the field of clinical and medicine. Hopefully, NCVC-slm-1 will be contributed to develop and accelerate the field of clinical and medicine for a bright future.
What does Artificial Intelligence (AI) have to contribute to health care? And what should we be looking out for if we are worried about its risks? In this paper we offer a survey, and initial evaluation, of hopes and fears about the applications of artificial intelligence in medicine. AI clearly has enormous potential as a research tool, in genomics and public health especially, as well as a diagnostic aid. It's also highly likely to impact on the organisational and business practices of healthcare systems in ways that are perhaps under-appreciated. Enthusiasts for AI have held out the prospect that it will free physicians up to spend more time attending to what really matters to them and their patients. We will argue that this claim depends upon implausible assumptions about the institutional and economic imperatives operating in contemporary healthcare settings. We will also highlight important concerns about privacy, surveillance, and bias in big data, as well as the risks of over trust in machines, the challenges of transparency, the deskilling of healthcare practitioners, the way AI reframes healthcare, and the implications of AI for the distribution of power in healthcare ins
The success of precision medicine requires computational models that can effectively process and interpret diverse physiological signals across heterogeneous patient populations. While foundation models have demonstrated remarkable transfer capabilities across various domains, their effectiveness in handling individual-specific physiological signals - crucial for precision medicine - remains largely unexplored. This work introduces a systematic pipeline for rapidly and efficiently evaluating foundation models' transfer capabilities in medical contexts. Our pipeline employs a three-stage approach. First, it leverages physiological simulation software to generate diverse, clinically relevant scenarios, particularly focusing on data-scarce medical conditions. This simulation-based approach enables both targeted capability assessment and subsequent model fine-tuning. Second, the pipeline projects these simulated signals through the foundation model to obtain embeddings, which are then evaluated using linear methods. This evaluation quantifies the model's ability to capture three critical aspects: physiological feature independence, temporal dynamics preservation, and medical scenario d
This paper explores the potential opportunities, risks, and challenges associated with the use of large language models (LLMs) in sports science and medicine. LLMs are large neural networks with transformer style architectures trained on vast amounts of textual data, and typically refined with human feedback. LLMs can perform a large range of natural language processing tasks. In sports science and medicine, LLMs have the potential to support and augment the knowledge of sports medicine practitioners, make recommendations for personalised training programs, and potentially distribute high-quality information to practitioners in developing countries. However, there are also potential risks associated with the use and development of LLMs, including biases in the dataset used to create the model, the risk of exposing confidential data, the risk of generating harmful output, and the need to align these models with human preferences through feedback. Further research is needed to fully understand the potential applications of LLMs in sports science and medicine and to ensure that their use is ethical and beneficial to athletes, clients, patients, practitioners, and the general public.
Recent studies indicate that Generative Pre-trained Transformer 4 with Vision (GPT-4V) outperforms human physicians in medical challenge tasks. However, these evaluations primarily focused on the accuracy of multi-choice questions alone. Our study extends the current scope by conducting a comprehensive analysis of GPT-4V's rationales of image comprehension, recall of medical knowledge, and step-by-step multimodal reasoning when solving New England Journal of Medicine (NEJM) Image Challenges - an imaging quiz designed to test the knowledge and diagnostic capabilities of medical professionals. Evaluation results confirmed that GPT-4V performs comparatively to human physicians regarding multi-choice accuracy (81.6% vs. 77.8%). GPT-4V also performs well in cases where physicians incorrectly answer, with over 78% accuracy. However, we discovered that GPT-4V frequently presents flawed rationales in cases where it makes the correct final choices (35.5%), most prominent in image comprehension (27.2%). Regardless of GPT-4V's high accuracy in multi-choice questions, our findings emphasize the necessity for further in-depth evaluations of its rationales before integrating such multimodal AI m
The last few years have seen rapid progress in transitioning quantum computing from lab to industry. In healthcare and life sciences, more than 40 proof-of-concept experiments and studies have been conducted; an increasing number of these are even run on real quantum hardware. Major investments have been made with hundreds of millions of dollars already allocated towards quantum applications and hardware in medicine. In addition to pharmaceutical and life sciences uses, clinical and medical applications are now increasingly coming into the picture. This chapter focuses on three key use case areas associated with (precision) medicine, including genomics and clinical research, diagnostics, and treatments and interventions. Examples of organizations and the use cases they have been researching are given; ideas how the development of practical quantum computing applications can be further accelerated are described.
Extensive adoption of electronic health records (EHRs) offers opportunities for their use in various downstream clinical analyses. To accomplish this purpose, enriching an EHR cohort with external knowledge (e.g., standardized medical ontology and wealthy semantics) could help us reveal more comprehensive insights via a spectrum of informative relations among medical codes. Nevertheless, harnessing those beneficial interconnections was scarcely exercised, especially in the medication recommendation task. This study proposes a novel Knowledge-Induced Medicine Prescribing Network (KindMed) to recommend medicines by inducing knowledge from myriad medical-related external sources upon the EHR cohort and rendering interconnected medical codes as medical knowledge graphs (KGs). On top of relation-aware graph representation learning to obtain an adequate embedding over such KGs, we leverage hierarchical sequence learning to discover and fuse temporal dynamics of clinical (i.e., diagnosis and procedures) and medicine streams across patients' historical admissions to foster personalized recommendations. Eventually, we employ attentive prescribing that accounts for three essential patient re
Augmented reality becomes popular in education gradually, which provides a contextual and adaptive learning experience. Here, we develop a Chinese herb medicine AR platform based the 3dsMax and the Unity that allows users to visualize and interact with the herb model and learn the related information. The users use their mobile camera to scan the 2D herb picture to trigger the presentation of 3D AR model and corresponding text information on the screen in real-time. The system shows good performance and has high accuracy for the identification of herbal medicine after interference test and occlusion test. Users can interact with the herb AR model by rotating, scaling, and viewing transformation, which effectively enhances learners' interest in Chinese herb medicine.
Medicine, including fields in healthcare and life sciences, has seen a flurry of quantum-related activities and experiments in the last few years (although biology and quantum theory have arguably been entangled ever since Schrödinger's cat). The initial focus was on biochemical and computational biology problems; recently, however, clinical and medical quantum solutions have drawn increasing interest. The rapid emergence of quantum computing in health and medicine necessitates a mapping of the landscape. In this review, clinical and medical proof-of-concept quantum computing applications are outlined and put into perspective. These consist of over 40 experimental and theoretical studies. The use case areas span genomics, clinical research and discovery, diagnostics, and treatments and interventions. Quantum machine learning (QML) in particular has rapidly evolved and shown to be competitive with classical benchmarks in recent medical research. Near-term QML algorithms have been trained with diverse clinical and real-world data sets. This includes studies in generating new molecular entities as drug candidates, diagnosing based on medical image classification, predicting patient pe
This study examines the clinical decision-making processes in Traditional East Asian Medicine (TEAM) by reinterpreting pattern identification (PI) through the lens of dimensionality reduction. Focusing on the Eight Principle Pattern Identification (EPPI) system and utilizing empirical data from the Shang-Han-Lun, we explore the necessity and significance of prioritizing the Exterior-Interior pattern in diagnosis and treatment selection. We test three hypotheses: whether the Ext-Int pattern contains the most information about patient symptoms, represents the most abstract and generalizable symptom information, and facilitates the selection of appropriate herbal prescriptions. Employing quantitative measures such as the abstraction index, cross-conditional generalization performance, and decision tree regression, our results demonstrate that the Exterior-Interior pattern represents the most abstract and generalizable symptom information, contributing to the efficient mapping between symptom and herbal prescription spaces. This research provides an objective framework for understanding the cognitive processes underlying TEAM, bridging traditional medical practices with modern computat