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We developed SaludConectaMX as a comprehensive system to track and understand the determinants of complications throughout chemotherapy treatment for children with cancer in Mexico. SaludConectaMX is unique in that it integrates patient clinical indicators with social determinants and caregiver mental health, forming a social-clinical perspective of the patient's evolving health trajectory. The system is composed of a web application (for hospital staff) and a mobile application (for family caregivers), providing the opportunity for cooperative patient monitoring in both hospital and home settings. This paper presents the system's preliminary design and usability evaluation results from a 1.5-year pilot study. Our findings indicate that while the hospital web app demonstrates high completion rates and user satisfaction, the family mobile app requires additional improvements for optimal accessibility; statistical and qualitative data analysis illuminate pathways for system improvement. Based on this evidence, we formalize suggestions for health system development in LMICs, which HCI researchers may leverage in future work.

Modern artificial intelligence (AI) systems are powered by foundation models. This paper presents a new set of foundation models, called Llama 3. It is a herd of language models that natively support multilinguality, coding, reasoning, and tool usage. Our largest model is a dense Transformer with 405B parameters and a context window of up to 128K tokens. This paper presents an extensive empirical evaluation of Llama 3. We find that Llama 3 delivers comparable quality to leading language models such as GPT-4 on a plethora of tasks. We publicly release Llama 3, including pre-trained and post-trained versions of the 405B parameter language model and our Llama Guard 3 model for input and output safety. The paper also presents the results of experiments in which we integrate image, video, and speech capabilities into Llama 3 via a compositional approach. We observe this approach performs competitively with the state-of-the-art on image, video, and speech recognition tasks. The resulting models are not yet being broadly released as they are still under development.

In this study, we integrate the established obstacle problem formulation from ice sheet modeling with cutting-edge deep learning methodologies to enhance ice thickness predictions, specifically targeting the Greenland ice sheet. By harmonizing the mathematical structure with an energy minimization framework tailored for neural network approximations, our method's efficacy is confirmed through both 1D and 2D numerical simulations. Utilizing the NSIDC-0092 dataset for Greenland and incorporating bedrock topography for model pre-training, we register notable advances in prediction accuracy. Our research underscores the potent combination of traditional mathematical models and advanced computational techniques in delivering precise ice thickness estimations.

App markets have evolved into highly competitive and dynamic environments for developers. While the traditional app life cycle involves incremental updates for feature enhancements and issue resolution, some apps deviate from this norm by undergoing significant transformations in their use cases or market positioning. We define this previously unstudied phenomenon as 'app metamorphosis'. In this paper, we propose a novel and efficient multi-modal search methodology to identify apps undergoing metamorphosis and apply it to analyse two snapshots of the Google Play Store taken five years apart. Our methodology uncovers various metamorphosis scenarios, including re-births, re-branding, re-purposing, and others, enabling comprehensive characterisation. Although these transformations may register as successful for app developers based on our defined success score metric (e.g., re-branded apps performing approximately 11.3% better than an average top app), we shed light on the concealed security and privacy risks that lurk within, potentially impacting even tech-savvy end-users., Comment: 15 pages, 14 figures

Recent innovations in language model training have demonstrated that it is possible to create highly performant models that are small enough to run on a smartphone. As these models are deployed in an increasing number of domains, it is critical to ensure that they are aligned with human preferences and safety considerations. In this report, we present our methodology for safety aligning the Phi-3 series of language models. We utilized a "break-fix" cycle, performing multiple rounds of dataset curation, safety post-training, benchmarking, red teaming, and vulnerability identification to cover a variety of harm areas in both single and multi-turn scenarios. Our results indicate that this approach iteratively improved the performance of the Phi-3 models across a wide range of responsible AI benchmarks. Finally, we include additional red teaming strategies and evaluations that were used to test the safety behavior of Phi-3.5-mini and Phi-3.5-MoE, which were optimized for multilingual capabilities.

The rapid progress in machine learning (ML) has brought forth many large language models (LLMs) that excel in various tasks and areas. These LLMs come with different abilities and costs in terms of computation or pricing. Since the demand for each query can vary, e.g., because of the queried domain or its complexity, defaulting to one LLM in an application is not usually the best choice, whether it is the biggest, priciest, or even the one with the best average test performance. Consequently, picking the right LLM that is both accurate and cost-effective for an application remains a challenge. In this paper, we introduce MetaLLM, a framework that dynamically and intelligently routes each query to the optimal LLM (among several available LLMs) for classification tasks, achieving significantly improved accuracy and cost-effectiveness. By framing the selection problem as a multi-armed bandit, MetaLLM balances prediction accuracy and cost efficiency under uncertainty. Our experiments, conducted on popular LLM platforms such as OpenAI's GPT models, Amazon's Titan, Anthropic's Claude, and Meta's LLaMa, showcase MetaLLM's efficacy in real-world scenarios, laying the groundwork for future extensions beyond classification tasks.

Machine learning (ML) models have difficulty generalizing when the number of training class instances are numerically imbalanced. The problem of generalization in the face of data imbalance has largely been attributed to the lack of training data for under-represented classes and to feature overlap. The typical remedy is to implement data augmentation for classes with fewer instances or to assign a higher cost to minority class prediction errors or to undersample the prevalent class. However, we show that one of the central causes of impaired generalization when learning with imbalanced data is the inherent manner in which ML models perform inference. These models have difficulty generalizing due to their heavy reliance on the magnitude of encoded signals. During inference, the models predict classes based on a combination of encoded signal magnitudes that linearly sum to the largest scalar. We demonstrate that even with aggressive data augmentation, which generally improves minority class prediction accuracy, parametric ML models still associate a class label with a limited number of feature combinations that sum to a prediction, which can affect generalization.

The repeating fast radio burst source FRB 20220912A was remarkably active in the weeks after its discovery. Here we report 696 bursts detected with the Nan\c{c}ay Radio Telescope (NRT) as part of the Extragalactic Coherent Light from Astrophysical Transients (\'ECLAT) monitoring campaign. We present 68 observations, conducted from October 2022 to April 2023, with a total duration of 61 hours and an event rate peaking at $75^{+10}_{-9}$ bursts per hour above a fluence threshold of 0.59 Jy ms in the $1.2-1.7$-GHz band. Most bursts in the sample occur towards the bottom of the observing band. They follow a bimodal wait-time distribution, with peaks at 33.4 ms and 67.0 s. We find a roughly constant dispersion measure (DM) over time ($\delta$DM $\lesssim$ 2 pc cm$^{-3}$) when taking into account `sad-trombone' drift, with a mean drift rate of $-8.8 $MHz ms$^{-1}$. Nonetheless, we confirm small $\sim0.3$ pc cm$^{-3}$ DM variations using microshot structure, while finding that microstructure is rare in our sample -- despite the 16 $\mu$s time resolution of the data. The cumulative spectral energy distribution shows more high-energy bursts ($E_\nu \gtrsim 10^{31}$ erg/Hz) than would be expected from a simple power-law distribution. The burst rate per observation appears Poissonian, but the full set of observations is better modelled by a Weibull distribution, showing clustering. We discuss the various observational similarities that FRB 20220912A shares with other (hyper)active repeaters, which as a group are beginning to show a common set of phenomenological traits that provide multiple useful dimensions for their quantitative comparison and modelling., Comment: 18 pages, 20 figures

The roadmap is organized into several thematic sections, outlining current computing challenges, discussing the neuromorphic computing approach, analyzing mature and currently utilized technologies, providing an overview of emerging technologies, addressing material challenges, exploring novel computing concepts, and finally examining the maturity level of emerging technologies while determining the next essential steps for their advancement., Comment: 90 pages, 22 figures, roadmap, neuromorphic

We embed the Penrose limit into the Weyl classical double copy. Thereby, we provide a lift of the double copy properties of plane wave spacetimes into black hole geometries and we open a novel avenue towards taking the classical double copy beyond statements about algebraically special backgrounds. In particular, the Penrose limit, viewed as the leading order Fermi coordinate expansion around a null geodesic, complements approaches leveraging asymptotic flatness such as the asymptotic Weyl double copy. Along the way, we show how our embedding of the Penrose limit within the Weyl double copy naturally fixes the functional ambiguity in the double copy for Petrov type N spacetimes. We also highlight the utility of a spinorial approach to the Penrose limit. In particular, we use this spinorial approach to derive a simple analytical expression for arbitrary Penrose limits of four-dimensional, vacuum type D spacetimes., Comment: 44+18 pages

Existing ML benchmarks lack the depth and diversity of annotations needed for evaluating models on business process management (BPM) tasks. BPM is the practice of documenting, measuring, improving, and automating enterprise workflows. However, research has focused almost exclusively on one task - full end-to-end automation using agents based on multimodal foundation models (FMs) like GPT-4. This focus on automation ignores the reality of how most BPM tools are applied today - simply documenting the relevant workflow takes 60% of the time of the typical process optimization project. To address this gap we present WONDERBREAD, the first benchmark for evaluating multimodal FMs on BPM tasks beyond automation. Our contributions are: (1) a dataset containing 2928 documented workflow demonstrations; (2) 6 novel BPM tasks sourced from real-world applications ranging from workflow documentation to knowledge transfer to process improvement; and (3) an automated evaluation harness. Our benchmark shows that while state-of-the-art FMs can automatically generate documentation (e.g. recalling 88% of the steps taken in a video demonstration of a workflow), they struggle to re-apply that knowledge towards finer-grained validation of workflow completion (F1 < 0.3). We hope WONDERBREAD encourages the development of more "human-centered" AI tooling for enterprise applications and furthers the exploration of multimodal FMs for the broader universe of BPM tasks. We publish our dataset and experiments here: https://github.com/HazyResearch/wonderbread

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain remains restricted, especially in solving professional molecule-related tasks. This challenge is attributed to their inherent limitations in comprehending molecules using only common textual representations, i.e., SMILES strings. In this study, we seek to enhance the ability of LLMs to comprehend molecules by equipping them with a multi-modal external module, namely MolX. In particular, instead of directly using a SMILES string to represent a molecule, we utilize specific encoders to extract fine-grained features from both SMILES string and 2D molecular graph representations for feeding into an LLM. Moreover, a handcrafted molecular fingerprint is incorporated to leverage its embedded domain knowledge. Then, to establish an alignment between MolX and the LLM's textual input space, the whole model in which the LLM is frozen, is pre-trained with a versatile strategy including a diverse set of tasks. Experimental evaluations show that our proposed method outperforms baselines across 4 downstream molecule-related tasks ranging from molecule-to-text translation to retrosynthesis, with and without fine-tuning the LLM, while only introducing a small number of trainable parameters 0.53% and 0.82%, respectively.

The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the method of choice to obtain ground state energies of quantum many-body systems in the noisy intermediate scale quantum (NISQ) era. This study not only extends the VQE algorithm to the relativistic regime, but also calculates a property other than energy, namely the molecular permanent electric dipole moment (PDM). We carry out 18-qubit quantum simulations to obtain ground state energies as well as PDMs of single-valence diatomic molecules, ranging from the light BeH to the heavy radioactive RaH molecule. We investigate the correlation trends in these systems as well as access the precision in our results. Furthermore, we measure the PDM of the moderately heavy SrH and SrF molecules on the optimized unitary coupled cluster state, using the state-of-the-art IonQ Aria-I quantum computer in an active space of 6 qubits. The associated quantum circuits for these computations were extensively optimized in view of limitations imposed by NISQ hardware. To that end, we employ an array of techniques, including the use of point group symmetries, integrating ZX-Calculus into our pipeline-based circuit optimization, and energy sort VQE procedure. Through these methods, we compress our 6-qubit quantum circuit from 280 two-qubit gates to 37 two-qubit gates (with a marginal trade-off of 0.33 and 0.31 percent in the PDM for SrH and SrF in their respective 6-spin orbital active spaces). We anticipate that our proof-of-concept demonstration lays the groundwork for future quantum hardware calculations involving heavy atoms and molecules.

Protective applications require energy-absorbing materials that are soft and compressible enough to absorb kinetic energy from impacts, yet stiff enough to bear crushing loads. Achieving this balance requires careful consideration of both mechanical properties and geometric design. Conventional shock-absorbing pads are made of very thick foams that exhibit a plateau of constant stress in their stress-strain response. Contrary to this belief, we report that foams with a nonlinear stress-strain response can be useful to achieve simultaneously thin and lightweight protective pads. We introduce a new framework for the thickness or volume-constrained design of compact and lightweight protective foams while ensuring the desired structural integrity and mechanical performance. Our streamlined dimensional analysis approach provides geometric constraints on the dimensionless thickness and cross-sectional area of a protective foam with a given stress-strain response to limit the acceleration and compressive strain within desired critical limits. We also identify optimal mechanical properties that will result in the most compact and lightest protective foam layer for absorbing a given kinetic energy of impact. Guided by this design framework, we achieve optimal protective properties in hierarchically architected vertically aligned carbon nanotube (VACNT) foams, enabling next generation protective applications in extreme environments.

There are vast number of configurable parameters in a Radio Access Telecom Network. A significant amount of these parameters is configured by Radio Node or cell based on their deployment setting. Traditional methods rely on domain knowledge for individual parameter configuration, often leading to sub-optimal results. To improve this, a framework using a Deep Generative Graph Neural Network (GNN) is proposed. It encodes the network into a graph, extracts subgraphs for each RAN node, and employs a Siamese GNN (S-GNN) to learn embeddings. The framework recommends configuration parameters for a multitude of parameters and detects misconfigurations, handling both network expansion and existing cell reconfiguration. Tested on real-world data, the model surpasses baselines, demonstrating accuracy, generalizability, and robustness against concept drift., Comment: 4 pages, 4 figures

Weakly interacting massive particles (WIMPs) may interact with a virtual pion that is exchanged between nucleons. This interaction channel is important to consider in models where the spin-independent isoscalar channel is suppressed. Using data from the first science run of the LUX-ZEPLIN dark matter experiment, containing 60 live days of data in a 5.5~tonne fiducial mass of liquid xenon, we report the results on a search for WIMP-pion interactions. We observe no significant excess and set an upper limit of $1.5\times10^{-46}$~cm$^2$ at a 90\% confidence level for a WIMP mass of 33~GeV/c$^2$ for this interaction.

A long-standing dilemma prevents the broader application of explanation methods: general applicability and inference speed. On the one hand, existing model-agnostic explanation methods usually make minimal pre-assumptions about the prediction models to be explained. Still, they require additional queries to the model through propagation or back-propagation to approximate the models' behaviors, resulting in slow inference and hindering their use in time-sensitive tasks. On the other hand, various model-dependent explanations have been proposed that achieve low-cost, fast inference but at the expense of limiting their applicability to specific model structures. In this study, we bridge the gap between the universality of model-agnostic approaches and the efficiency of model-specific approaches by proposing a novel framework without assumptions on the prediction model's structures, achieving high efficiency during inference and allowing for real-time explanations. To achieve this, we first define explanations through a set of human-comprehensible concepts and propose a framework to elucidate model predictions via minimal feasible concept sets. Second, we show that a minimal feasible set generator can be learned as a companion explainer to the prediction model, generating explanations for predictions. Finally, we validate this framework by implementing a novel model-agnostic method that provides robust explanations while facilitating real-time inference. Our claims are substantiated by comprehensive experiments, highlighting the effectiveness and efficiency of our approach.

Despite being a heavily researched topic, Adversarial Training (AT) is rarely, if ever, deployed in practical AI systems for two primary reasons: (i) the gained robustness is frequently accompanied by a drop in generalization and (ii) generating adversarial examples (AEs) is computationally prohibitively expensive. To address these limitations, we propose SMAAT, a new AT algorithm that leverages the manifold conjecture, stating that off-manifold AEs lead to better robustness while on-manifold AEs result in better generalization. Specifically, SMAAT aims at generating a higher proportion of off-manifold AEs by perturbing the intermediate deepnet layer with the lowest intrinsic dimension. This systematically results in better scalability compared to classical AT as it reduces the PGD chains length required for generating the AEs. Additionally, our study provides, to the best of our knowledge, the first explanation for the difference in the generalization and robustness trends between vision and language models, ie., AT results in a drop in generalization in vision models whereas, in encoder-based language models, generalization either improves or remains unchanged. We show that vision transformers and decoder-based models tend to have low intrinsic dimensionality in the earlier layers of the network (more off-manifold AEs), while encoder-based models have low intrinsic dimensionality in the later layers. We demonstrate the efficacy of SMAAT; on several tasks, including robustifying (i) sentiment classifiers, (ii) safety filters in decoder-based models, and (iii) retrievers in RAG setups. SMAAT requires only 25-33% of the GPU time compared to standard AT, while significantly improving robustness across all applications and maintaining comparable generalization.

Federated Learning (FL) is a distributed machine learning framework in which a set of local communities collaboratively learn a shared global model while retaining all training data locally within each community. Two notions of fairness have recently emerged as important issues for federated learning: group fairness and community fairness. Group fairness requires that a model's decisions do not favor any particular group based on a set of legally protected attributes such as race or gender. Community fairness requires that global models exhibit similar levels of performance (accuracy) across all collaborating communities. Both fairness concepts can coexist within an FL framework, but the existing literature has focused on either one concept or the other. This paper proposes and analyzes a post-processing fair federated learning (FFL) framework called post-FFL. Post-FFL uses a linear program to simultaneously enforce group and community fairness while maximizing the utility of the global model. Because Post-FFL is a post-processing approach, it can be used with existing FL training pipelines whose convergence properties are well understood. This paper uses post-FFL on real-world datasets to mimic how hospital networks, for example, use federated learning to deliver community health care. Theoretical results bound the accuracy lost when post-FFL enforces both notion of fairness. Experimental results illustrate that post-FFL simultaneously improves both group and community fairness in FL. Moreover, post-FFL outperforms the existing in-processing fair federated learning in terms of improving both notions of fairness, communication efficiency and computation cost.

In the rapidly evolving landscape of AI research and application, Multimodal Large Language Models (MLLMs) have emerged as a transformative force, adept at interpreting and integrating information from diverse modalities such as text, images, and Graphical User Interfaces (GUIs). Despite these advancements, the nuanced interaction and understanding of GUIs pose a significant challenge, limiting the potential of existing models to enhance automation levels. To bridge this gap, this paper presents V-Zen, an innovative Multimodal Large Language Model (MLLM) meticulously crafted to revolutionise the domain of GUI understanding and grounding. Equipped with dual-resolution image encoders, V-Zen establishes new benchmarks in efficient grounding and next-action prediction, thereby laying the groundwork for self-operating computer systems. Complementing V-Zen is the GUIDE dataset, an extensive collection of real-world GUI elements and task-based sequences, serving as a catalyst for specialised fine-tuning. The successful integration of V-Zen and GUIDE marks the dawn of a new era in multimodal AI research, opening the door to intelligent, autonomous computing experiences. This paper extends an invitation to the research community to join this exciting journey, shaping the future of GUI automation. In the spirit of open science, our code, data, and model will be made publicly available, paving the way for multimodal dialogue scenarios with intricate and precise interactions., Comment: 12 pages, 5 figures, 3 tables

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, \textit{AnyLoss}, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

The Data Acquisition System (DAQ) for the LUX-ZEPLIN (LZ) dark matter detector is described. The signals from 745 PMTs, distributed across three subsystems, are sampled with 100-MHz 32-channel digitizers (DDC-32s). A basic waveform analysis is carried out on the on-board Field Programmable Gate Arrays (FPGAs) to extract information about the observed scintillation and electroluminescence signals. This information is used to determine if the digitized waveforms should be preserved for offline analysis. The system is designed around the Kintex-7 FPGA. In addition to digitizing the PMT signals and providing basic event selection in real time, the flexibility provided by the use of FPGAs allows us to monitor the performance of the detector and the DAQ in parallel to normal data acquisition. The hardware and software/firmware of this FPGA-based Architecture for Data acquisition and Realtime monitoring (FADR) are discussed and performance measurements are described., Comment: 18 pages, 24 figures

Graph Machine Learning (Graph ML) has witnessed substantial advancements in recent years. With their remarkable ability to process graph-structured data, Graph ML techniques have been extensively utilized across diverse applications, including critical domains like finance, healthcare, and transportation. Despite their societal benefits, recent research highlights significant safety concerns associated with the widespread use of Graph ML models. Lacking safety-focused designs, these models can produce unreliable predictions, demonstrate poor generalizability, and compromise data confidentiality. In high-stakes scenarios such as financial fraud detection, these vulnerabilities could jeopardize both individuals and society at large. Therefore, it is imperative to prioritize the development of safety-oriented Graph ML models to mitigate these risks and enhance public confidence in their applications. In this survey paper, we explore three critical aspects vital for enhancing safety in Graph ML: reliability, generalizability, and confidentiality. We categorize and analyze threats to each aspect under three headings: model threats, data threats, and attack threats. This novel taxonomy guides our review of effective strategies to protect against these threats. Our systematic review lays a groundwork for future research aimed at developing practical, safety-centered Graph ML models. Furthermore, we highlight the significance of safe Graph ML practices and suggest promising avenues for further investigation in this crucial area., Comment: 20 pages

Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data, pre-training with massive unlabeled data has emerged as a promising solution. However, this process faces a series of challenges: (1) complex higher-order dependencies among multiple (more than paired) structural scales have not yet been fully captured; (2) it is rarely explored how mutations alter the local conformation of the surrounding microenvironment; (3) pre-training is costly, both in data size and computational burden. In this paper, we first construct a hierarchical prompt codebook to record common microenvironmental patterns at different structural scales independently. Then, we develop a novel codebook pre-training task, namely masked microenvironment modeling, to model the joint distribution of each mutation with their residue types, angular statistics, and local conformational changes in the microenvironment. With the constructed prompt codebook, we encode the microenvironment around each mutation into multiple hierarchical prompts and combine them to flexibly provide information to wild-type and mutated protein complexes about their microenvironmental differences. Such a hierarchical prompt learning framework has demonstrated superior performance and training efficiency over state-of-the-art pre-training-based methods in mutation effect prediction and a case study of optimizing human antibodies against SARS-CoV-2.

In this paper cum technical report, we present PHUDGE A fine tuned Phi3 model that achieved SOTA results in 4 tasks as Feedback Test, Feedback OOD, MT Human, Preference Test surpassing each and every existing model in latency and throughput. It shows very strong correlation not only with GPT4 but with Human annotators too in unseen data as well as in both absolute and relative grading tasks. We have not only addressed the usage of small LMs for cost effective production grade systems but have also shown that Causal modelling is not only slow in nature but sometimes it can hinder models learning capabilities and should be replaced by simpler tasks whenever we can to make the overall system faster and better. We show that by following systematic ML experimentation, thoughtful data augmentation and re purposing the problem itself, we can even beat 10x bigger models even with lesser training data. To the best of our knowledge, we are re the first one to experiment and showcase the usage of generalised version of Earth Movers Distance AKA Wasserstein distance by using Minkowski Distance with a penalty to control loss smoothing and can be used as a loss function instead of Cross Entropy to get stable training and better results for grading tasks.

Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction and node classification. Despite these advancements, challenges like data sparsity and limited generalization capabilities continue to persist. Recently, Large Language Models (LLMs) have gained attention in natural language processing. They excel in language comprehension and summarization. Integrating LLMs with graph learning techniques has attracted interest as a way to enhance performance in graph learning tasks. In this survey, we conduct an in-depth review of the latest state-of-the-art LLMs applied in graph learning and introduce a novel taxonomy to categorize existing methods based on their framework design. We detail four unique designs: i) GNNs as Prefix, ii) LLMs as Prefix, iii) LLMs-Graphs Integration, and iv) LLMs-Only, highlighting key methodologies within each category. We explore the strengths and limitations of each framework, and emphasize potential avenues for future research, including overcoming current integration challenges between LLMs and graph learning techniques, and venturing into new application areas. This survey aims to serve as a valuable resource for researchers and practitioners eager to leverage large language models in graph learning, and to inspire continued progress in this dynamic field. We consistently maintain the related open-source materials at \url{https://github.com/HKUDS/Awesome-LLM4Graph-Papers}., Comment: Published as a KDD'24 survey paper

LUX-ZEPLIN (LZ) is a tonne-scale experiment searching for direct dark matter interactions and other rare events. It is located at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, USA. The core of the LZ detector is a dual-phase xenon time projection chamber (TPC), designed with the primary goal of detecting Weakly Interacting Massive Particles (WIMPs) via their induced low energy nuclear recoils. Surrounding the TPC, two veto detectors immersed in an ultra-pure water tank enable reducing background events to enhance the discovery potential. Intricate calibration systems are purposely designed to precisely understand the responses of these three detector volumes to various types of particle interactions and to demonstrate LZ's ability to discriminate between signals and backgrounds. In this paper, we present a comprehensive discussion of the key features, requirements, and performance of the LZ calibration systems, which play a crucial role in enabling LZ's WIMP-search and its broad science program. The thorough description of these calibration systems, with an emphasis on their novel aspects, is valuable for future calibration efforts in direct dark matter and other rare-event search experiments.

Learning expressive stochastic policies instead of deterministic ones has been proposed to achieve better stability, sample complexity, and robustness. Notably, in Maximum Entropy Reinforcement Learning (MaxEnt RL), the policy is modeled as an expressive Energy-Based Model (EBM) over the Q-values. However, this formulation requires the estimation of the entropy of such EBMs, which is an open problem. To address this, previous MaxEnt RL methods either implicitly estimate the entropy, resulting in high computational complexity and variance (SQL), or follow a variational inference procedure that fits simplified actor distributions (e.g., Gaussian) for tractability (SAC). We propose Stein Soft Actor-Critic (S$^2$AC), a MaxEnt RL algorithm that learns expressive policies without compromising efficiency. Specifically, S$^2$AC uses parameterized Stein Variational Gradient Descent (SVGD) as the underlying policy. We derive a closed-form expression of the entropy of such policies. Our formula is computationally efficient and only depends on first-order derivatives and vector products. Empirical results show that S$^2$AC yields more optimal solutions to the MaxEnt objective than SQL and SAC in the multi-goal environment, and outperforms SAC and SQL on the MuJoCo benchmark. Our code is available at: https://github.com/SafaMessaoud/S2AC-Energy-Based-RL-with-Stein-Soft-Actor-Critic, Comment: Accepted for publication at ICLR 2024

This research introduces Procedural Artificial Narrative using Generative AI (PANGeA), a structured approach for leveraging large language models (LLMs), guided by a game designer's high-level criteria, to generate narrative content for turn-based role-playing video games (RPGs). Distinct from prior applications of LLMs used for video game design, PANGeA innovates by not only generating game level data (which includes, but is not limited to, setting, key items, and non-playable characters (NPCs)), but by also fostering dynamic, free-form interactions between the player and the environment that align with the procedural game narrative. The NPCs generated by PANGeA are personality-biased and express traits from the Big 5 Personality Model in their generated responses. PANGeA addresses challenges behind ingesting free-form text input, which can prompt LLM responses beyond the scope of the game narrative. A novel validation system that uses the LLM's intelligence evaluates text input and aligns generated responses with the unfolding narrative. Making these interactions possible, PANGeA is supported by a server that hosts a custom memory system that supplies context for augmenting generated responses thus aligning them with the procedural narrative. For its broad application, the server has a REST interface enabling any game engine to integrate directly with PANGeA, as well as an LLM interface adaptable with local or private LLMs. PANGeA's ability to foster dynamic narrative generation by aligning responses with the procedural narrative is demonstrated through an empirical study and ablation test of two versions of a demo game. These are, a custom, browser-based GPT and a Unity demo. As the results show, PANGeA holds potential to assist game designers in using LLMs to generate narrative-consistent content even when provided varied and unpredictable, free-form text input.

The first science run of the LUX-ZEPLIN (LZ) experiment, a dual-phase xenon time project chamber operating in the Sanford Underground Research Facility in South Dakota, USA, has reported leading limits on spin-independent WIMP-nucleon interactions and interactions described from a non-relativistic effective field theory (NREFT). Using the same 5.5~t fiducial mass and 60 live days of exposure we report on the results of a relativistic extension to the NREFT. We present constraints on couplings from covariant interactions arising from the coupling of vector, axial currents, and electric dipole moments of the nucleon to the magnetic and electric dipole moments of the WIMP which cannot be described by recasting previous results described by an NREFT. Using a profile-likelihood ratio analysis, in an energy region between 0~keV$_\text{nr}$ to 270~keV$_\text{nr}$, we report 90% confidence level exclusion limits on the coupling strength of five interactions in both the isoscalar and isovector bases., Comment: 7 pages, 4 figures

We study multi-buyer multi-item sequential item pricing mechanisms for revenue maximization with the goal of approximating a natural fractional relaxation -- the ex ante optimal revenue. We assume that buyers' values are subadditive but make no assumptions on the value distributions. While the optimal revenue, and therefore also the ex ante benchmark, is inapproximable by any simple mechanism in this context, previous work has shown that a weaker benchmark that optimizes over so-called ``buy-many" mechanisms can be approximable. Approximations are known, in particular, for settings with either a single buyer or many unit-demand buyers. We extend these results to the much broader setting of many subadditive buyers. We show that the ex ante buy-many revenue can be approximated via sequential item pricings to within an $O(\log^2 m)$ factor, where $m$ is the number of items. We also show that a logarithmic dependence on $m$ is necessary. Our approximation is achieved through the construction of a new multi-dimensional Online Contention Resolution Scheme (OCRS), that provides an online rounding of the optimal ex ante solution. Chawla et al. arXiv:2204.01962 previously constructed an OCRS for revenue for unit-demand buyers, but their construction relied heavily on the ``almost single dimensional" nature of unit-demand values. Prior to that work, OCRSes have only been studied in the context of social welfare maximization for single-parameter buyers. For the welfare objective, constant-factor approximations have been demonstrated for a wide range of combinatorial constraints on item allocations and classes of buyer valuation functions. Our work opens up the possibility of a similar success story for revenue maximization., Comment: 39 pages

Link prediction (LP) is a fundamental task in graph representation learning, with numerous applications in diverse domains. However, the generalizability of LP models is often compromised due to the presence of noisy or spurious information in graphs and the inherent incompleteness of graph data. To address these challenges, we draw inspiration from the Information Bottleneck principle and propose a novel data augmentation method, COmplete and REduce (CORE) to learn compact and predictive augmentations for LP models. In particular, CORE aims to recover missing edges in graphs while simultaneously removing noise from the graph structures, thereby enhancing the model's robustness and performance. Extensive experiments on multiple benchmark datasets demonstrate the applicability and superiority of CORE over state-of-the-art methods, showcasing its potential as a leading approach for robust LP in graph representation learning.

Graph structured data, specifically text-attributed graphs (TAG), effectively represent relationships among varied entities. Such graphs are essential for semi-supervised node classification tasks. Graph Neural Networks (GNNs) have emerged as a powerful tool for handling this graph-structured data. Although gradient descent is commonly utilized for training GNNs for node classification, this study ventures into alternative methods, eliminating the iterative optimization processes. We introduce TrainlessGNN, a linear GNN model capitalizing on the observation that text encodings from the same class often cluster together in a linear subspace. This model constructs a weight matrix to represent each class's node attribute subspace, offering an efficient approach to semi-supervised node classification on TAG. Extensive experiments reveal that our trainless models can either match or even surpass their conventionally trained counterparts, demonstrating the possibility of refraining from gradient descent in certain configurations., Comment: preprint

In this paper, we introduce GUIDE, a novel dataset tailored for the advancement of Multimodal Large Language Model (MLLM) applications, particularly focusing on Robotic Process Automation (RPA) use cases. Our dataset encompasses diverse data from various websites including Apollo(62.67\%), Gmail(3.43\%), Calendar(10.98\%) and Canva(22.92\%). Each data entry includes an image, a task description, the last action taken, CoT and the next action to be performed along with grounding information of where the action needs to be executed. The data is collected using our in-house advanced annotation tool NEXTAG (Next Action Grounding and Annotation Tool). The data is adapted for multiple OS, browsers and display types. It is collected by multiple annotators to capture the variation of design and the way person uses a website. Through this dataset, we aim to facilitate research and development in the realm of LLMs for graphical user interfaces, particularly in tasks related to RPA. The dataset's multi-platform nature and coverage of diverse websites enable the exploration of cross-interface capabilities in automation tasks. We believe that our dataset will serve as a valuable resource for advancing the capabilities of multi-platform LLMs in practical applications, fostering innovation in the field of automation and natural language understanding. Using GUIDE, we build V-Zen, the first RPA model to automate multiple websites using our in-House Automation tool AUTONODE, Comment: 11 pages, 8 figures, 3 Tables and 1 Algorithm

Deep neural networks (DNNs) deployed in real-world applications can encounter out-of-distribution (OOD) data and adversarial examples. These represent distinct forms of distributional shifts that can significantly impact DNNs' reliability and robustness. Traditionally, research has addressed OOD detection and adversarial robustness as separate challenges. This survey focuses on the intersection of these two areas, examining how the research community has investigated them together. Consequently, we identify two key research directions: robust OOD detection and unified robustness. Robust OOD detection aims to differentiate between in-distribution (ID) data and OOD data, even when they are adversarially manipulated to deceive the OOD detector. Unified robustness seeks a single approach to make DNNs robust against both adversarial attacks and OOD inputs. Accordingly, first, we establish a taxonomy based on the concept of distributional shifts. This framework clarifies how robust OOD detection and unified robustness relate to other research areas addressing distributional shifts, such as OOD detection, open set recognition, and anomaly detection. Subsequently, we review existing work on robust OOD detection and unified robustness. Finally, we highlight the limitations of the existing work and propose promising research directions that explore adversarial and OOD inputs within a unified framework.

Soft and biological matter come in a variety of shapes and geometries. When soft surfaces that do not fit into each other due to a mismatch in Gaussian curvatures form an interface, beautiful geometry-induced patterns emerge. In this paper, we study the effect of geometry on the dynamical response of soft surfaces moving relative to each other. Using a novel experimental scheme, we measure friction between a highly bendable thin polymer sheet and a hydrogel substrate. At this soft and low-friction interface, we find a strong dependence of friction on the relative geometry of the two surfaces - a flat sheet experiences significantly larger friction on a spherical substrate than on planar or cylindrical substrate. We show that the stress developed in the sheet due to its geometrically incompatible confinement is responsible for the enhanced friction. This mechanism also leads to a transition in the nature of friction as the sheet radius is increased beyond a critical value. Our finding reveals a hitherto unnoticed non-specific mechanism of purely geometrical origin that may influence friction significantly in soft, biological, and nano-scale systems. In particular, it provokes us to re-examine our understanding of phenomena such as the curvature dependence of biological cell mobility.

In this brief paper, the authors study the tuning curves of starburst amacrine cells (SACs) and introduce a quantity called the irresolution or ambiguity of a SAC. They show that the rate of data generated by a starburst amacrine cell is inversely proportional to its irresolution. This is done by providing bounds on the rate required to encode the generated data. This technique can be applied to different cell types with different tuning curves. In this manner, information theoretic views can be introduced to the cases of biological cells which are not normally considered as transmitters of information as say retinal ganglion cells are. The intuition that even such cells generate information is thus quantified., Comment: 6 pages, 7 figures

In recent advancements within the domain of Large Language Models (LLMs), there has been a notable emergence of agents capable of addressing Robotic Process Automation (RPA) challenges through enhanced cognitive capabilities and sophisticated reasoning. This development heralds a new era of scalability and human-like adaptability in goal attainment. In this context, we introduce AUTONODE (Autonomous User-interface Transformation through Online Neuro-graphic Operations and Deep Exploration). AUTONODE employs advanced neuro-graphical techniques to facilitate autonomous navigation and task execution on web interfaces, thereby obviating the necessity for predefined scripts or manual intervention. Our engine empowers agents to comprehend and implement complex workflows, adapting to dynamic web environments with unparalleled efficiency. Our methodology synergizes cognitive functionalities with robotic automation, endowing AUTONODE with the ability to learn from experience. We have integrated an exploratory module, DoRA (Discovery and mapping Operation for graph Retrieval Agent), which is instrumental in constructing a knowledge graph that the engine utilizes to optimize its actions and achieve objectives with minimal supervision. The versatility and efficacy of AUTONODE are demonstrated through a series of experiments, highlighting its proficiency in managing a diverse array of web-based tasks, ranging from data extraction to transaction processing., Comment: Accepted in MIPR-2024

In recent years, numerous researchers have begun investigating how virtual reality (VR) tracking and interaction data can be used for a variety of machine learning purposes, including user identification, predicting cybersickness, and estimating learning gains. One constraint for this research area is the dearth of open datasets. In this paper, we present a new open dataset captured with our VR-based Full-scale Assembly Simulation Testbed (FAST). This dataset consists of data collected from 108 participants (50 females, 56 males, 2 non-binary) learning how to assemble two distinct full-scale structures in VR. In addition to explaining how the dataset was collected and describing the data included, we discuss how the dataset may be used by future researchers.

Should prediction models always deliver a prediction? In the pursuit of maximum predictive performance, critical considerations of reliability and fairness are often overshadowed, particularly when it comes to the role of uncertainty. Selective regression, also known as the "reject option," allows models to abstain from predictions in cases of considerable uncertainty. Initially proposed seven decades ago, approaches to selective regression have mostly focused on distribution-based proxies for measuring uncertainty, particularly conditional variance. However, this focus neglects the significant influence of model-specific biases on a model's performance. In this paper, we propose a novel approach to selective regression by leveraging conformal prediction, which provides grounded confidence measures for individual predictions based on model-specific biases. In addition, we propose a standardized evaluation framework to allow proper comparison of selective regression approaches. Via an extensive experimental approach, we demonstrate how our proposed approach, conformalized selective regression, demonstrates an advantage over multiple state-of-the-art baselines.

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction. While existing methods rely heavily on protein sequence for PPI prediction, it is the protein structure that is the key to determine the interactions. To take both protein modalities into account, we define the microenvironment of an amino acid residue by its sequence and structural contexts, which describe the surrounding chemical properties and geometric features. In addition, microenvironments defined in previous work are largely based on experimentally assayed physicochemical properties, for which the "vocabulary" is usually extremely small. This makes it difficult to cover the diversity and complexity of microenvironments. In this paper, we propose Microenvironment-Aware Protein Embedding for PPI prediction (MPAE-PPI), which encodes microenvironments into chemically meaningful discrete codes via a sufficiently large microenvironment "vocabulary" (i.e., codebook). Moreover, we propose a novel pre-training strategy, namely Masked Codebook Modeling (MCM), to capture the dependencies between different microenvironments by randomly masking the codebook and reconstructing the input. With the learned microenvironment codebook, we can reuse it as an off-the-shelf tool to efficiently and effectively encode proteins of different sizes and functions for large-scale PPI prediction. Extensive experiments show that MAPE-PPI can scale to PPI prediction with millions of PPIs with superior trade-offs between effectiveness and computational efficiency than the state-of-the-art competitors.

The opioid crisis has been one of the most critical society concerns in the United States. Although the medication assisted treatment (MAT) is recognized as the most effective treatment for opioid misuse and addiction, the various side effects can trigger opioid relapse. In addition to MAT, the dietary nutrition intervention has been demonstrated its importance in opioid misuse prevention and recovery. However, research on the alarming connections between dietary patterns and opioid misuse remain under-explored. In response to this gap, in this paper, we first establish a large-scale multifaceted dietary benchmark dataset related to opioid users at the first attempt and then develop a novel framework - i.e., namely Opioid Misuse Detection with Interpretable Dietary Patterns (Diet-ODIN) - to bridge heterogeneous graph (HG) and large language model (LLM) for the identification of users with opioid misuse and the interpretation of their associated dietary patterns. Specifically, in Diet-ODIN, we first construct an HG to comprehensively incorporate both dietary and health-related information, and then we devise a holistic graph learning framework with noise reduction to fully capitalize both users' individual dietary habits and shared dietary patterns for the detection of users with opioid misuse. To further delve into the intricate correlations between dietary patterns and opioid misuse, we exploit an LLM by utilizing the knowledge obtained from the graph learning model for interpretation. The extensive experimental results based on our established benchmark with quantitative and qualitative measures demonstrate the outstanding performance of Diet-ODIN in exploring the complex interplay between opioid misuse and dietary patterns, by comparison with state-of-the-art baseline methods.

A successful negotiation demands a deep comprehension of the conversation context, Theory-of-Mind (ToM) skills to infer the partner's motives, as well as strategic reasoning and effective communication, making it challenging for automated systems. Given the remarkable performance of LLMs across a variety of NLP tasks, in this work, we aim to understand how LLMs can advance different aspects of negotiation research, ranging from designing dialogue systems to providing pedagogical feedback and scaling up data collection practices. To this end, we devise a methodology to analyze the multifaceted capabilities of LLMs across diverse dialogue scenarios covering all the time stages of a typical negotiation interaction. Our analysis adds to the increasing evidence for the superiority of GPT-4 across various tasks while also providing insights into specific tasks that remain difficult for LLMs. For instance, the models correlate poorly with human players when making subjective assessments about the negotiation dialogues and often struggle to generate responses that are contextually appropriate as well as strategically advantageous.

Clinical practice guidelines, care pathways, and protocols are designed to support evidence-based practices for clinicians; however, their adoption remains a challenge. We set out to investigate why clinicians deviate from the ``Wake Up and Breathe'' protocol, an evidence-based guideline for liberating patients from mechanical ventilation in the intensive care unit (ICU). We conducted over 40 hours of direct observations of live clinical workflows, 17 interviews with frontline care providers, and 4 co-design workshops at three different medical intensive care units. Our findings indicate that unlike prior literature suggests, disagreement with the protocol is not a substantial barrier to adoption. Instead, the uncertainty surrounding the application of the protocol for individual patients leads clinicians to deprioritize adoption in favor of tasks where they have high certainty. Reflecting on these insights, we identify opportunities for technical systems to help clinicians in effectively executing the protocol and discuss future directions for HCI research to support the integration of protocols into clinical practice in complex, team-based healthcare settings., Comment: to appear at CHI 2024

Tungsten carbide (WC) stands out as a crucial material for exploration in extreme environments due to its resistance to radiation and impressive mechanical strength. Widely utilized in cutting tools, high-wear components, and as a potential contender for plasma-facing material in nuclear reactors, WC's erosion behavior under surrogate irradiations is a subject of investigation. In the present work, WC films were synthesized at two different substrate temperatures of 400 K and 600 K using RF sputtering and were then irradiated with 100 keV Kr1+ ions at a fluence of 1x1017 ions/cm2. The crystalline phases of as deposited WC films were confirmed by glancing incidence X-ray diffraction (GIXRD) measurements. Rutherford Backscattering Spectrometry (RBS) was employed to determine the thicknesses of pristine samples and the sputtering rate by measuring the difference in the areal densities of the pristine and irradiated films. The erosion rate of both types of films was found to be ~ 1.6 atoms per incident Kr+ ion. These findings contribute to a foundational comprehension of the radiation tolerance behavior of WC thin films, crucial for their performance in the demanding conditions of extreme radiation., Comment: 10 pages, 5 figures

Graph Neural Networks (GNNs) are prominent in graph machine learning and have shown state-of-the-art performance in Link Prediction (LP) tasks. Nonetheless, recent studies show that GNNs struggle to produce good results on low-degree nodes despite their overall strong performance. In practical applications of LP, like recommendation systems, improving performance on low-degree nodes is critical, as it amounts to tackling the cold-start problem of improving the experiences of users with few observed interactions. In this paper, we investigate improving GNNs' LP performance on low-degree nodes while preserving their performance on high-degree nodes and propose a simple yet surprisingly effective augmentation technique called NodeDup. Specifically, NodeDup duplicates low-degree nodes and creates links between nodes and their own duplicates before following the standard supervised LP training scheme. By leveraging a ''multi-view'' perspective for low-degree nodes, NodeDup shows significant LP performance improvements on low-degree nodes without compromising any performance on high-degree nodes. Additionally, as a plug-and-play augmentation module, NodeDup can be easily applied to existing GNNs with very light computational cost. Extensive experiments show that NodeDup achieves 38.49%, 13.34%, and 6.76% improvements on isolated, low-degree, and warm nodes, respectively, on average across all datasets compared to GNNs and state-of-the-art cold-start methods.

Graph plays an important role in representing complex relationships in real-world applications such as social networks, biological data and citation networks. In recent years, Large Language Models (LLMs) have achieved tremendous success in various domains, which makes applying LLMs to graphs particularly appealing. However, directly applying LLMs to graph modalities presents unique challenges due to the discrepancy and mismatch between the graph and text modalities. Hence, to further investigate LLMs' potential for comprehending graph information, we introduce GraphPrompter, a novel framework designed to align graph information with LLMs via soft prompts. Specifically, GraphPrompter consists of two main components: a graph neural network to encode complex graph information and an LLM that effectively processes textual information. Comprehensive experiments on various benchmark datasets under node classification and link prediction tasks demonstrate the effectiveness of our proposed method. The GraphPrompter framework unveils the substantial capabilities of LLMs as predictors in graph-related tasks, enabling researchers to utilize LLMs across a spectrum of real-world graph scenarios more effectively., Comment: Accepted by The Web Conference (WWW) 2024 Short Paper Track

Chest X-ray is a commonly used tool during triage, diagnosis and management of respiratory diseases. In resource-constricted settings, optimizing this resource can lead to valuable cost savings for the health care system and the patients as well as to and improvement in consult time. We used prospectively-collected data from 137 patients referred for chest X-ray at the Christian Medical Center and Hospital (CMCH) in Purnia, Bihar, India. Each patient provided at least five coughs while awaiting radiography. Collected cough sounds were analyzed using acoustic AI methods. Cross-validation was done on temporal and spectral features on the cough sounds of each patient. Features were summarized using standard statistical approaches. Three models were developed, tested and compared in their capacity to predict an abnormal result in the chest X-ray. All three methods yielded models that could discriminate to some extent between normal and abnormal with the logistic regression performing best with an area under the receiver operating characteristic curves ranging from 0.7 to 0.78. Despite limitations and its relatively small sample size, this study shows that AI-enabled algorithms can use cough sounds to predict which individuals presenting for chest radiographic examination will have a normal or abnormal results. These results call for expanding this research given the potential optimization of limited health care resources in low- and middle-income countries.