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Catalysts speed up chemical reactions with no energy input and without being transformed in the process, therefore leaving equilibrium constants unchanged. Some catalysts, however, are much more efficient at accelerating one direction of a reaction. How is such an asymmetry consistent with chemical equilibrium, where as many forward and reverse reactions must occur? We use the rigorous framework of a simple but exactly solvable lattice model to study this question in the context of a strictly one-way catalyst, which can only accelerate one way of a reaction. The model illustrates a mathematical relationship between asymmetric transition rates, which underlie directional catalysis, and symmetric transition fluxes, which underlie chemical equilibrium. The degree of directionality generally depends on the catalytic mechanism and we compare different mechanisms to show how they can obey different scaling laws. The results showcase the ability of simple physical models to address fundamental questions in catalysis.

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on several molecular properties in the QM9 dataset and 24 materials properties. Only composition-based input strings are used as the model input and we fine tune on only the generative loss. We broadly find that LLaMA 3, when fine-tuned using the SMILES representation of molecules, provides useful regression results which can rival standard materials property prediction models like random forest or fully connected neural networks on the QM9 dataset. Not surprisingly, LLaMA 3 errors are 5-10x higher than those of the state-of-the-art models that were trained using far more granular representation of molecules (e.g., atom types and their coordinates) for the same task. Interestingly, LLaMA 3 provides improved predictions compared to GPT-3.5 and GPT-4o. This work highlights the versatility of LLMs, suggesting that LLM-like generative models can potentially transcend their traditional applications to tackle complex physical phenomena, thus paving the way for future research and applications in chemistry, materials science and other scientific domains.

Public transportation systems are experiencing an increase in commuter traffic. This increase underscores the need for resilience strategies to manage unexpected service disruptions, ensuring rapid and effective responses that minimize adverse effects on stakeholders and enhance the system's ability to maintain essential functions and recover quickly. This study aims to explore the management of public transport disruptions through resilience as a service (RaaS) strategies, developing an optimization model to effectively allocate resources and minimize the cost for operators and passengers. The proposed model includes multiple transportation options, such as buses, taxis, and automated vans, and evaluates them as bridging alternatives to rail-disrupted services based on factors such as their availability, capacity, speed, and proximity to the disrupted station. This ensures that the most suitable vehicles are deployed to maintain service continuity. Applied to a case study in the Ile de France region, Paris and suburbs, complemented by a microscopic simulation, the model is compared to existing solutions such as bus bridging and reserve fleets. The results highlight the model's performance in minimizing costs and enhancing stakeholder satisfaction, optimizing transport management during disruptions.

Stochastic compositional minimax problems are prevalent in machine learning, yet there are only limited established on the convergence of this class of problems. In this paper, we propose a formal definition of the stochastic compositional minimax problem, which involves optimizing a minimax loss with a compositional structure either in primal , dual, or both primal and dual variables. We introduce a simple yet effective algorithm, stochastically Corrected stOchastic gradient Descent Ascent (CODA), which is a descent ascent type algorithm with compositional correction steps, and establish its convergence rate in aforementioned three settings. In the presence of the compositional structure in primal, the objective function typically becomes nonconvex in primal due to function composition. Thus, we consider the nonconvex-strongly-concave and nonconvex-concave settings and show that CODA can efficiently converge to a stationary point. In the case of composition on the dual, the objective function becomes nonconcave in the dual variable, and we demonstrate convergence in the strongly-convex-nonconcave and convex-nonconcave setting. In the case of composition on both variables, the primal and dual variables may lose convexity and concavity, respectively. Therefore, we anaylze the convergence in weakly-convex-weakly-concave setting. We also give a variance reduction version algorithm, CODA+, which achieves the best known rate on nonconvex-strongly-concave and nonconvex-concave compositional minimax problem. This work initiates the theoretical study of the stochastic compositional minimax problem on various settings and may inform modern machine learning scenarios such as domain adaptation or robust model-agnostic meta-learning.

In applications, we often need to compute functions of matrices, such as banded matrices, the Kronecker sum of banded matrices, Toeplitz matrices, and many other types, which all share the common feature that their non-zero elements are concentrated around certain diagonals. We approximate matrix functions by considering the positions of non-zero diagonals in the original matrix. Focusing on non-zero diagonals provides us with simple algorithms to be used as tools to reduce complexity of other algorithms for computing matrix functions. Here, we first establish a decay bound for elements of matrix functions using the non-zero diagonals. Then, we develop methods that involve dividing the problem of computing matrix functions into functions of some submatrices of the original matrix. The size of these submatrices depends on the positions and number of non-zero diagonals in a monomial of the original matrix, ranging from degree zero to a given degree. For Toeplitz matrices, we demonstrate that our method turns to a simpler algorithm and works more efficiently. The convergence analysis of our proposed methods is conducted by establishing connections to the best polynomial approximation. When only specific elements or the trace of matrix functions are required, we derive submatrices from the original matrix based solely on the indices of the elements of interest. Additionally, for the special case of banded-symmetric Toeplitz matrices, we derive an approximation for elements of matrix functions with geometrically reducing error, using closed-form formulas that depend solely on the indices of the elements.

Analysis of matrix-variate data is becoming increasingly common in the literature, particularly in the field of clustering and classification. It is well-known that real data, including real matrix-variate data, often exhibit high levels of asymmetry. To address this issue, one common approach is to introduce a tail or skewness parameter to a symmetric distribution. In this regard, we introduced here a new distribution called the matrix-variate skew t distribution (MVST), which provides flexibility in terms of heavy tail and skewness. We then conduct a thorough investigation of various characterizations and probabilistic properties of the MVST distribution. We also explore extensions of this distribution to a finite mixture model. To estimate the parameters of the MVST distribution, we develop an efficient EM-type algorithm that computes maximum likelihood (ML) estimates of the model parameters. To validate the effectiveness and usefulness of the developed models and associated methods, we perform empirical experiments using simulated data as well as three real data examples. Our results demonstrate the efficacy of the developed approach in handling asymmetric matrix-variate data.

Large Language Models (LLMs) have shown remarkable performance in various natural language tasks, but they often struggle with planning problems that require structured reasoning. To address this limitation, the conversion of planning problems into the Planning Domain Definition Language (PDDL) has been proposed as a potential solution, enabling the use of automated planners. However, generating accurate PDDL files typically demands human inputs or correction, which can be time-consuming and costly. In this paper, we propose a novel approach that leverages LLMs and environment feedback to automatically generate PDDL domain and problem description files without the need for human intervention. Our method introduces an iterative refinement process that generates multiple problem PDDL candidates and progressively refines the domain PDDL based on feedback obtained from interacting with the environment. To guide the refinement process, we develop an Exploration Walk (EW) metric, which provides rich feedback signals for LLMs to update the PDDL file. We evaluate our approach on PDDL environments. We achieve an average task solve rate of 66% compared to a 29% solve rate by GPT-4's intrinsic planning with chain-of-thought prompting. Our work enables the automated modeling of planning environments using LLMs and environment feedback, eliminating the need for human intervention in the PDDL generation process and paving the way for more reliable LLM agents in challenging problems.

Liver zonation is a fundamental characteristic of hepatocyte spatial heterogeneity, which is challenging to recapitulate in traditional cell cultures. This study presents a novel microfluidic device designed to induce zonation in liver cell cultures by establishing an oxygen gradient using standard laboratory gases. The device consists of two layers; a bottom layer containing a gas channel network that delivers high and low oxygenated gases to create three distinct zones within the cell culture chamber in the layer above. Computational simulations and ratiometric oxygen sensing were employed to validate the oxygen gradient, demonstrating that stable oxygen levels were achieved within two hours. Liver zonation was confirmed using immunofluorescence staining, which showed zonated albumin production in HepG2 cells directly correlating with oxygen levels and mimicking in-vivo zonation behavior. This user-friendly device supports studies on liver zonation and related metabolic disease mechanisms in vitro. It can also be utilized for experiments that necessitate precise gas concentration gradients, such as hypoxia-related research areas focused on angiogenesis and cancer development.

Humanity has long sought inspiration from nature to innovate materials and devices. As science advances, nature-inspired materials are becoming part of our lives. Animate materials, characterized by their activity, adaptability, and autonomy, emulate properties of living systems. While only biological materials fully embody these principles, artificial versions are advancing rapidly, promising transformative impacts across various sectors. This roadmap presents authoritative perspectives on animate materials across different disciplines and scales, highlighting their interdisciplinary nature and potential applications in diverse fields including nanotechnology, robotics and the built environment. It underscores the need for concerted efforts to address shared challenges such as complexity management, scalability, evolvability, interdisciplinary collaboration, and ethical and environmental considerations. The framework defined by classifying materials based on their level of animacy can guide this emerging field encouraging cooperation and responsible development. By unravelling the mysteries of living matter and leveraging its principles, we can design materials and systems that will transform our world in a more sustainable manner.

Shape abstraction is an important task for simplifying complex geometric structures while retaining essential features. Sweep surfaces, commonly found in human-made objects, aid in this process by effectively capturing and representing object geometry, thereby facilitating abstraction. In this paper, we introduce \papername, a novel approach to shape abstraction through sweep surfaces. We propose an effective parameterization for sweep surfaces, utilizing superellipses for profile representation and B-spline curves for the axis. This compact representation, requiring as few as 14 float numbers, facilitates intuitive and interactive editing while preserving shape details effectively. Additionally, by introducing a differentiable neural sweeper and an encoder-decoder architecture, we demonstrate the ability to predict sweep surface representations without supervision. We show the superiority of our model through several quantitative and qualitative experiments throughout the paper. Our code is available at https://mingrui-zhao.github.io/SweepNet/, Comment: 14 pages,20 figures, ECCV 2024

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches address only a narrowly defined set of tasks, often circumscribed within a particular domain. To bridge this gap, we introduce Tx-LLM, a generalist large language model (LLM) fine-tuned from PaLM-2 which encodes knowledge about diverse therapeutic modalities. Tx-LLM is trained using a collection of 709 datasets that target 66 tasks spanning various stages of the drug discovery pipeline. Using a single set of weights, Tx-LLM simultaneously processes a wide variety of chemical or biological entities(small molecules, proteins, nucleic acids, cell lines, diseases) interleaved with free-text, allowing it to predict a broad range of associated properties, achieving competitive with state-of-the-art (SOTA) performance on 43 out of 66 tasks and exceeding SOTA on 22. Among these, Tx-LLM is particularly powerful and exceeds best-in-class performance on average for tasks combining molecular SMILES representations with text such as cell line names or disease names, likely due to context learned during pretraining. We observe evidence of positive transfer between tasks with diverse drug types (e.g.,tasks involving small molecules and tasks involving proteins), and we study the impact of model size, domain finetuning, and prompting strategies on performance. We believe Tx-LLM represents an important step towards LLMs encoding biochemical knowledge and could have a future role as an end-to-end tool across the drug discovery development pipeline.

Text-guided image generation enables the creation of visual content from textual descriptions. However, certain visual concepts cannot be effectively conveyed through language alone. This has sparked a renewed interest in utilizing the CLIP image embedding space for more visually-oriented tasks through methods such as IP-Adapter. Interestingly, the CLIP image embedding space has been shown to be semantically meaningful, where linear operations within this space yield semantically meaningful results. Yet, the specific meaning of these operations can vary unpredictably across different images. To harness this potential, we introduce pOps, a framework that trains specific semantic operators directly on CLIP image embeddings. Each pOps operator is built upon a pretrained Diffusion Prior model. While the Diffusion Prior model was originally trained to map between text embeddings and image embeddings, we demonstrate that it can be tuned to accommodate new input conditions, resulting in a diffusion operator. Working directly over image embeddings not only improves our ability to learn semantic operations but also allows us to directly use a textual CLIP loss as an additional supervision when needed. We show that pOps can be used to learn a variety of photo-inspired operators with distinct semantic meanings, highlighting the semantic diversity and potential of our proposed approach., Comment: Project Page: https://popspaper.github.io/pOps/

We examine the impact of time delay on two coupled massive oscillators within the second-order Kuramoto model, which is relevant to the operations of real-world networks that rely on signal transmission speed constraints. Our analytical and numerical exploration shows that time delay can cause multi-stability within phase-locked solutions, and the stability of these solutions decreases as inertia increases. In addition to phase-locked solutions, we discovered non-phase-locked solutions that exhibit periodic and chaotic behaviors, depending on the amount of inertia and time delay.

We present a novel approach for single-image mesh texturing, which employs a diffusion model with judicious conditioning to seamlessly transfer an object's texture from a single RGB image to a given 3D mesh object. We do not assume that the two objects belong to the same category, and even if they do, there can be significant discrepancies in their geometry and part proportions. Our method aims to rectify the discrepancies by conditioning a pre-trained Stable Diffusion generator with edges describing the mesh through ControlNet, and features extracted from the input image using IP-Adapter to generate textures that respect the underlying geometry of the mesh and the input texture without any optimization or training. We also introduce Image Inversion, a novel technique to quickly personalize the diffusion model for a single concept using a single image, for cases where the pre-trained IP-Adapter falls short in capturing all the details from the input image faithfully. Experimental results demonstrate the efficiency and effectiveness of our edge-aware single-image mesh texturing approach, coined EASI-Tex, in preserving the details of the input texture on diverse 3D objects, while respecting their geometry., Comment: ACM Transactions on Graphics (Proceedings of SIGGRAPH), 2024. Project Page: https://sairajk.github.io/easi-tex/

The InterPlanetary File System (IPFS) is a peer-to-peer network for storing data in a distributed file system, hosting over 190,000 peers spanning 152 countries. Despite its prominence, the privacy properties that IPFS offers to peers are severely limited. Any query within the network leaks to other peers the content for which a peer is querying. We address IPFS' privacy leakage across three functionalities (peer routing, provider advertisements, and content retrieval), ultimately empowering peers to privately navigate and retrieve content in the network. We argue that private information retrieval (PIR) is the most suitable tool for our task. Our work highlights and addresses novel challenges inherent to integrating PIR into distributed systems. We present our new, private protocols and demonstrate that they incur minimal overheads compared to IPFS today. We also include a systematic comparison of state-of-art PIR protocols in the context of distributed systems which may be of independent interest.

Machine learning-based techniques open up many opportunities and improvements to derive deeper and more practical insights from data that can help businesses make informed decisions. However, the majority of these techniques focus on the conventional closed-set scenario, in which the label spaces for the training and test sets are identical. Open set recognition (OSR) aims to bring classification tasks in a situation that is more like reality, which focuses on classifying the known classes as well as handling unknown classes effectively. In such an open-set problem the gathered samples in the training set cannot encompass all the classes and the system needs to identify unknown samples at test time. On the other hand, building an accurate and comprehensive model in a real dynamic environment presents a number of obstacles, because it is prohibitively expensive to train for every possible example of unknown items, and the model may fail when tested in testbeds. This study provides an algorithm exploring a new representation of feature space to improve classification in OSR tasks. The efficacy and efficiency of business processes and decision-making can be improved by integrating OSR, which offers more precise and insightful predictions of outcomes. We demonstrate the performance of the proposed method on three established datasets. The results indicate that the proposed model outperforms the baseline methods in accuracy and F1-score., Comment: Accepted for proceedings of the 57th Hawaii International Conference on System Sciences: 10 pages, 6 figures, 3-6 January 2024, Honolulu, United States

Prize-Collecting Steiner Tree (PCST) is a generalization of the Steiner Tree problem, a fundamental problem in computer science. In the classic Steiner Tree problem, we aim to connect a set of vertices known as terminals using the minimum-weight tree in a given weighted graph. In this generalized version, each vertex has a penalty, and there is flexibility to decide whether to connect each vertex or pay its associated penalty, making the problem more realistic and practical. Both the Steiner Tree problem and its Prize-Collecting version had long-standing $2$-approximation algorithms, matching the integrality gap of the natural LP formulations for both. This barrier for both problems has been surpassed, with algorithms achieving approximation factors below $2$. While research on the Steiner Tree problem has led to a series of reductions in the approximation ratio below $2$, culminating in a $\ln(4)+\epsilon$ approximation by Byrka, Grandoni, Rothvo{\ss}, and Sanit\`a, the Prize-Collecting version has not seen improvements in the past 15 years since the work of Archer, Bateni, Hajiaghayi, and Karloff, which reduced the approximation factor for this problem from $2$ to $1.9672$. Interestingly, even the Prize-Collecting TSP approximation, which was first improved below $2$ in the same paper, has seen several advancements since then. In this paper, we reduce the approximation factor for the PCST problem substantially to 1.7994 via a novel iterative approach.

Many clinical tasks require an understanding of specialized data, such as medical images and genomics, which is not typically found in general-purpose large multimodal models. Building upon Gemini's multimodal models, we develop several models within the new Med-Gemini family that inherit core capabilities of Gemini and are optimized for medical use via fine-tuning with 2D and 3D radiology, histopathology, ophthalmology, dermatology and genomic data. Med-Gemini-2D sets a new standard for AI-based chest X-ray (CXR) report generation based on expert evaluation, exceeding previous best results across two separate datasets by an absolute margin of 1% and 12%, where 57% and 96% of AI reports on normal cases, and 43% and 65% on abnormal cases, are evaluated as "equivalent or better" than the original radiologists' reports. We demonstrate the first ever large multimodal model-based report generation for 3D computed tomography (CT) volumes using Med-Gemini-3D, with 53% of AI reports considered clinically acceptable, although additional research is needed to meet expert radiologist reporting quality. Beyond report generation, Med-Gemini-2D surpasses the previous best performance in CXR visual question answering (VQA) and performs well in CXR classification and radiology VQA, exceeding SoTA or baselines on 17 of 20 tasks. In histopathology, ophthalmology, and dermatology image classification, Med-Gemini-2D surpasses baselines across 18 out of 20 tasks and approaches task-specific model performance. Beyond imaging, Med-Gemini-Polygenic outperforms the standard linear polygenic risk score-based approach for disease risk prediction and generalizes to genetically correlated diseases for which it has never been trained. Although further development and evaluation are necessary in the safety-critical medical domain, our results highlight the potential of Med-Gemini across a wide range of medical tasks.

Excellence in a wide variety of medical applications poses considerable challenges for AI, requiring advanced reasoning, access to up-to-date medical knowledge and understanding of complex multimodal data. Gemini models, with strong general capabilities in multimodal and long-context reasoning, offer exciting possibilities in medicine. Building on these core strengths of Gemini, we introduce Med-Gemini, a family of highly capable multimodal models that are specialized in medicine with the ability to seamlessly use web search, and that can be efficiently tailored to novel modalities using custom encoders. We evaluate Med-Gemini on 14 medical benchmarks, establishing new state-of-the-art (SoTA) performance on 10 of them, and surpass the GPT-4 model family on every benchmark where a direct comparison is viable, often by a wide margin. On the popular MedQA (USMLE) benchmark, our best-performing Med-Gemini model achieves SoTA performance of 91.1% accuracy, using a novel uncertainty-guided search strategy. On 7 multimodal benchmarks including NEJM Image Challenges and MMMU (health & medicine), Med-Gemini improves over GPT-4V by an average relative margin of 44.5%. We demonstrate the effectiveness of Med-Gemini's long-context capabilities through SoTA performance on a needle-in-a-haystack retrieval task from long de-identified health records and medical video question answering, surpassing prior bespoke methods using only in-context learning. Finally, Med-Gemini's performance suggests real-world utility by surpassing human experts on tasks such as medical text summarization, alongside demonstrations of promising potential for multimodal medical dialogue, medical research and education. Taken together, our results offer compelling evidence for Med-Gemini's potential, although further rigorous evaluation will be crucial before real-world deployment in this safety-critical domain.

3D modeling of articulated objects is a research problem within computer vision, graphics, and robotics. Its objective is to understand the shape and motion of the articulated components, represent the geometry and mobility of object parts, and create realistic models that reflect articulated objects in the real world. This survey provides a comprehensive overview of the current state-of-the-art in 3D modeling of articulated objects, with a specific focus on the task of articulated part perception and articulated object creation (reconstruction and generation). We systematically review and discuss the relevant literature from two perspectives: geometry processing and articulation modeling. Through this survey, we highlight the substantial progress made in these areas, outline the ongoing challenges, and identify gaps for future research. Our survey aims to serve as a foundational reference for researchers and practitioners in computer vision and graphics, offering insights into the complexities of articulated object modeling.

Recent advances in unsupervised learning have shown that unsupervised pre-training, followed by fine-tuning, can improve model generalization. However, a rigorous understanding of how the representation function learned on an unlabeled dataset affects the generalization of the fine-tuned model is lacking. Existing theoretical research does not adequately account for the heterogeneity of the distribution and tasks in pre-training and fine-tuning stage. To bridge this gap, this paper introduces a novel theoretical framework that illuminates the critical factor influencing the transferability of knowledge acquired during unsupervised pre-training to the subsequent fine-tuning phase, ultimately affecting the generalization capabilities of the fine-tuned model on downstream tasks. We apply our theoretical framework to analyze generalization bound of two distinct scenarios: Context Encoder pre-training with deep neural networks and Masked Autoencoder pre-training with deep transformers, followed by fine-tuning on a binary classification task. Finally, inspired by our findings, we propose a novel regularization method during pre-training to further enhances the generalization of fine-tuned model. Overall, our results contribute to a better understanding of unsupervised pre-training and fine-tuning paradigm, and can shed light on the design of more effective pre-training algorithms.

Object counting methods typically rely on manually annotated datasets. The cost of creating such datasets has restricted the versatility of these networks to count objects from specific classes (such as humans or penguins), and counting objects from diverse categories remains a challenge. The availability of robust text-to-image latent diffusion models (LDMs) raises the question of whether these models can be utilized to generate counting datasets. However, LDMs struggle to create images with an exact number of objects based solely on text prompts but they can be used to offer a dependable \textit{sorting} signal by adding and removing objects within an image. Leveraging this data, we initially introduce an unsupervised sorting methodology to learn object-related features that are subsequently refined and anchored for counting purposes using counting data generated by LDMs. Further, we present a density classifier-guided method for dividing an image into patches containing objects that can be reliably counted. Consequently, we can generate counting data for any type of object and count them in an unsupervised manner. Our approach outperforms other unsupervised and few-shot alternatives and is not restricted to specific object classes for which counting data is available. Code to be released upon acceptance.

Temporal Graph Learning (TGL) has become a prevalent technique across diverse real-world applications, especially in domains where data can be represented as a graph and evolves over time. Although TGL has recently seen notable progress in algorithmic solutions, its theoretical foundations remain largely unexplored. This paper aims at bridging this gap by investigating the generalization ability of different TGL algorithms (e.g., GNN-based, RNN-based, and memory-based methods) under the finite-wide over-parameterized regime. We establish the connection between the generalization error of TGL algorithms and "the number of layers/steps" in the GNN-/RNN-based TGL methods and "the feature-label alignment (FLA) score", where FLA can be used as a proxy for the expressive power and explains the performance of memory-based methods. Guided by our theoretical analysis, we propose Simplified-Temporal-Graph-Network, which enjoys a small generalization error, improved overall performance, and lower model complexity. Extensive experiments on real-world datasets demonstrate the effectiveness of our method. Our theoretical findings and proposed algorithm offer essential insights into TGL from a theoretical standpoint, laying the groundwork for the designing practical TGL algorithms in future studies.

We present AnaMoDiff, a novel diffusion-based method for 2D motion analogies that is applied to raw, unannotated videos of articulated characters. Our goal is to accurately transfer motions from a 2D driving video onto a source character, with its identity, in terms of appearance and natural movement, well preserved, even when there may be significant discrepancies between the source and driving characters in their part proportions and movement speed and styles. Our diffusion model transfers the input motion via a latent optical flow (LOF) network operating in a noised latent space, which is spatially aware, efficient to process compared to the original RGB videos, and artifact-resistant through the diffusion denoising process even amid dense movements. To accomplish both motion analogy and identity preservation, we train our denoising model in a feature-disentangled manner, operating at two noise levels. While identity-revealing features of the source are learned via conventional noise injection, motion features are learned from LOF-warped videos by only injecting noise with large values, with the stipulation that motion properties involving pose and limbs are encoded by higher-level features. Experiments demonstrate that our method achieves the best trade-off between motion analogy and identity preservation.

At the heart of medicine lies the physician-patient dialogue, where skillful history-taking paves the way for accurate diagnosis, effective management, and enduring trust. Artificial Intelligence (AI) systems capable of diagnostic dialogue could increase accessibility, consistency, and quality of care. However, approximating clinicians' expertise is an outstanding grand challenge. Here, we introduce AMIE (Articulate Medical Intelligence Explorer), a Large Language Model (LLM) based AI system optimized for diagnostic dialogue. AMIE uses a novel self-play based simulated environment with automated feedback mechanisms for scaling learning across diverse disease conditions, specialties, and contexts. We designed a framework for evaluating clinically-meaningful axes of performance including history-taking, diagnostic accuracy, management reasoning, communication skills, and empathy. We compared AMIE's performance to that of primary care physicians (PCPs) in a randomized, double-blind crossover study of text-based consultations with validated patient actors in the style of an Objective Structured Clinical Examination (OSCE). The study included 149 case scenarios from clinical providers in Canada, the UK, and India, 20 PCPs for comparison with AMIE, and evaluations by specialist physicians and patient actors. AMIE demonstrated greater diagnostic accuracy and superior performance on 28 of 32 axes according to specialist physicians and 24 of 26 axes according to patient actors. Our research has several limitations and should be interpreted with appropriate caution. Clinicians were limited to unfamiliar synchronous text-chat which permits large-scale LLM-patient interactions but is not representative of usual clinical practice. While further research is required before AMIE could be translated to real-world settings, the results represent a milestone towards conversational diagnostic AI., Comment: 46 pages, 5 figures in main text, 19 figures in appendix

Context: Cybersecurity vendors often publish cyber threat intelligence (CTI) reports, referring to the written artifacts on technical and forensic analysis of the techniques used by the malware in APT attacks. Objective: The goal of this research is to inform cybersecurity practitioners about how adversaries form cyberattacks through an analysis of adversarial techniques documented in cyberthreat intelligence reports. Dataset: We use 594 adversarial techniques cataloged in MITRE ATT\&CK. We systematically construct a set of 667 CTI reports that MITRE ATT\&CK used as citations in the descriptions of the cataloged adversarial techniques. Methodology: We analyze the frequency and trend of adversarial techniques, followed by a qualitative analysis of the implementation of techniques. Next, we perform association rule mining to identify pairs of techniques recurring in APT attacks. We then perform qualitative analysis to identify the underlying relations among the techniques in the recurring pairs. Findings: The set of 667 CTI reports documents 10,370 techniques in total, and we identify 19 prevalent techniques accounting for 37.3\% of documented techniques. We also identify 425 statistically significant recurring pairs and seven types of relations among the techniques in these pairs. The top three among the seven relationships suggest that techniques used by the malware inter-relate with one another in terms of (a) abusing or affecting the same system assets, (b) executing in sequences, and (c) overlapping in their implementations. Overall, the study quantifies how adversaries leverage techniques through malware in APT attacks based on publicly reported documents. We advocate organizations prioritize their defense against the identified prevalent techniques and actively hunt for potential malicious intrusion based on the identified pairs of techniques., Comment: This version is submitted to ACM Transactions on Privacy and Security. This version is under review