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Mar 11

ValUES: A Framework for Systematic Validation of Uncertainty Estimation in Semantic Segmentation

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on the other hand, the field is currently hampered by a gap between theory and practice leaving fundamental questions unanswered: Can data-related and model-related uncertainty really be separated in practice? Which components of an uncertainty method are essential for real-world performance? Which uncertainty method works well for which application? In this work, we link this research gap to a lack of systematic and comprehensive evaluation of uncertainty methods. Specifically, we identify three key pitfalls in current literature and present an evaluation framework that bridges the research gap by providing 1) a controlled environment for studying data ambiguities as well as distribution shifts, 2) systematic ablations of relevant method components, and 3) test-beds for the five predominant uncertainty applications: OoD-detection, active learning, failure detection, calibration, and ambiguity modeling. Empirical results on simulated as well as real-world data demonstrate how the proposed framework is able to answer the predominant questions in the field revealing for instance that 1) separation of uncertainty types works on simulated data but does not necessarily translate to real-world data, 2) aggregation of scores is a crucial but currently neglected component of uncertainty methods, 3) While ensembles are performing most robustly across the different downstream tasks and settings, test-time augmentation often constitutes a light-weight alternative. Code is at: https://github.com/IML-DKFZ/values

Modeling with the Crowd: Optimizing the Human-Machine Partnership with Zooniverse

LSST and Euclid must address the daunting challenge of analyzing the unprecedented volumes of imaging and spectroscopic data that these next-generation instruments will generate. A promising approach to overcoming this challenge involves rapid, automatic image processing using appropriately trained Deep Learning (DL) algorithms. However, reliable application of DL requires large, accurately labeled samples of training data. Galaxy Zoo Express (GZX) is a recent experiment that simulated using Bayesian inference to dynamically aggregate binary responses provided by citizen scientists via the Zooniverse crowd-sourcing platform in real time. The GZX approach enables collaboration between human and machine classifiers and provides rapidly generated, reliably labeled datasets, thereby enabling online training of accurate machine classifiers. We present selected results from GZX and show how the Bayesian aggregation engine it uses can be extended to efficiently provide object-localization and bounding-box annotations of two-dimensional data with quantified reliability. DL algorithms that are trained using these annotations will facilitate numerous panchromatic data modeling tasks including morphological classification and substructure detection in direct imaging, as well as decontamination and emission line identification for slitless spectroscopy. Effectively combining the speed of modern computational analyses with the human capacity to extrapolate from few examples will be critical if the potential of forthcoming large-scale surveys is to be realized.

MetaShift: A Dataset of Datasets for Evaluating Contextual Distribution Shifts and Training Conflicts

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

T-RAG: Lessons from the LLM Trenches

Large Language Models (LLM) have shown remarkable language capabilities fueling attempts to integrate them into applications across a wide range of domains. An important application area is question answering over private enterprise documents where the main considerations are data security, which necessitates applications that can be deployed on-prem, limited computational resources and the need for a robust application that correctly responds to queries. Retrieval-Augmented Generation (RAG) has emerged as the most prominent framework for building LLM-based applications. While building a RAG is relatively straightforward, making it robust and a reliable application requires extensive customization and relatively deep knowledge of the application domain. We share our experiences building and deploying an LLM application for question answering over private organizational documents. Our application combines the use of RAG with a finetuned open-source LLM. Additionally, our system, which we call Tree-RAG (T-RAG), uses a tree structure to represent entity hierarchies within the organization. This is used to generate a textual description to augment the context when responding to user queries pertaining to entities within the organization's hierarchy. Our evaluations show that this combination performs better than a simple RAG or finetuning implementation. Finally, we share some lessons learned based on our experiences building an LLM application for real-world use.

Accuracy on the Curve: On the Nonlinear Correlation of ML Performance Between Data Subpopulations

Understanding the performance of machine learning (ML) models across diverse data distributions is critically important for reliable applications. Despite recent empirical studies positing a near-perfect linear correlation between in-distribution (ID) and out-of-distribution (OOD) accuracies, we empirically demonstrate that this correlation is more nuanced under subpopulation shifts. Through rigorous experimentation and analysis across a variety of datasets, models, and training epochs, we demonstrate that OOD performance often has a nonlinear correlation with ID performance in subpopulation shifts. Our findings, which contrast previous studies that have posited a linear correlation in model performance during distribution shifts, reveal a "moon shape" correlation (parabolic uptrend curve) between the test performance on the majority subpopulation and the minority subpopulation. This non-trivial nonlinear correlation holds across model architectures, hyperparameters, training durations, and the imbalance between subpopulations. Furthermore, we found that the nonlinearity of this "moon shape" is causally influenced by the degree of spurious correlations in the training data. Our controlled experiments show that stronger spurious correlation in the training data creates more nonlinear performance correlation. We provide complementary experimental and theoretical analyses for this phenomenon, and discuss its implications for ML reliability and fairness. Our work highlights the importance of understanding the nonlinear effects of model improvement on performance in different subpopulations, and has the potential to inform the development of more equitable and responsible machine learning models.

FlowMind: Automatic Workflow Generation with LLMs

The rapidly evolving field of Robotic Process Automation (RPA) has made significant strides in automating repetitive processes, yet its effectiveness diminishes in scenarios requiring spontaneous or unpredictable tasks demanded by users. This paper introduces a novel approach, FlowMind, leveraging the capabilities of Large Language Models (LLMs) such as Generative Pretrained Transformer (GPT), to address this limitation and create an automatic workflow generation system. In FlowMind, we propose a generic prompt recipe for a lecture that helps ground LLM reasoning with reliable Application Programming Interfaces (APIs). With this, FlowMind not only mitigates the common issue of hallucinations in LLMs, but also eliminates direct interaction between LLMs and proprietary data or code, thus ensuring the integrity and confidentiality of information - a cornerstone in financial services. FlowMind further simplifies user interaction by presenting high-level descriptions of auto-generated workflows, enabling users to inspect and provide feedback effectively. We also introduce NCEN-QA, a new dataset in finance for benchmarking question-answering tasks from N-CEN reports on funds. We used NCEN-QA to evaluate the performance of workflows generated by FlowMind against baseline and ablation variants of FlowMind. We demonstrate the success of FlowMind, the importance of each component in the proposed lecture recipe, and the effectiveness of user interaction and feedback in FlowMind.

Addressing cognitive bias in medical language models

There is increasing interest in the application large language models (LLMs) to the medical field, in part because of their impressive performance on medical exam questions. While promising, exam questions do not reflect the complexity of real patient-doctor interactions. In reality, physicians' decisions are shaped by many complex factors, such as patient compliance, personal experience, ethical beliefs, and cognitive bias. Taking a step toward understanding this, our hypothesis posits that when LLMs are confronted with clinical questions containing cognitive biases, they will yield significantly less accurate responses compared to the same questions presented without such biases. In this study, we developed BiasMedQA, a benchmark for evaluating cognitive biases in LLMs applied to medical tasks. Using BiasMedQA we evaluated six LLMs, namely GPT-4, Mixtral-8x70B, GPT-3.5, PaLM-2, Llama 2 70B-chat, and the medically specialized PMC Llama 13B. We tested these models on 1,273 questions from the US Medical Licensing Exam (USMLE) Steps 1, 2, and 3, modified to replicate common clinically-relevant cognitive biases. Our analysis revealed varying effects for biases on these LLMs, with GPT-4 standing out for its resilience to bias, in contrast to Llama 2 70B-chat and PMC Llama 13B, which were disproportionately affected by cognitive bias. Our findings highlight the critical need for bias mitigation in the development of medical LLMs, pointing towards safer and more reliable applications in healthcare.

AuditLLM: A Tool for Auditing Large Language Models Using Multiprobe Approach

As Large Language Models (LLMs) gain wider adoption in various contexts, it becomes crucial to ensure they are reasonably safe, consistent, and reliable for an application at hand. This may require probing or auditing them. Probing LLMs with varied iterations of a single question could reveal potential inconsistencies in their knowledge or functionality. However, a tool for performing such audits with simple workflow and low technical threshold is lacking. In this demo, we introduce "AuditLLM," a novel tool designed to evaluate the performance of various LLMs in a methodical way. AuditLLM's core functionality lies in its ability to test a given LLM by auditing it using multiple probes generated from a single question, thereby identifying any inconsistencies in the model's understanding or operation. A reasonably robust, reliable, and consistent LLM should output semantically similar responses for a question asked differently or by different people. Based on this assumption, AuditLLM produces easily interpretable results regarding the LLM's consistencies from a single question that the user enters. A certain level of inconsistency has been shown to be an indicator of potential bias, hallucinations, and other issues. One could then use the output of AuditLLM to further investigate issues with the aforementioned LLM. To facilitate demonstration and practical uses, AuditLLM offers two key modes: (1) Live mode which allows instant auditing of LLMs by analyzing responses to real-time queries; (2) Batch mode which facilitates comprehensive LLM auditing by processing multiple queries at once for in-depth analysis. This tool is beneficial for both researchers and general users, as it enhances our understanding of LLMs' capabilities in generating responses, using a standardized auditing platform.

GUARD: Role-playing to Generate Natural-language Jailbreakings to Test Guideline Adherence of Large Language Models

The discovery of "jailbreaks" to bypass safety filters of Large Language Models (LLMs) and harmful responses have encouraged the community to implement safety measures. One major safety measure is to proactively test the LLMs with jailbreaks prior to the release. Therefore, such testing will require a method that can generate jailbreaks massively and efficiently. In this paper, we follow a novel yet intuitive strategy to generate jailbreaks in the style of the human generation. We propose a role-playing system that assigns four different roles to the user LLMs to collaborate on new jailbreaks. Furthermore, we collect existing jailbreaks and split them into different independent characteristics using clustering frequency and semantic patterns sentence by sentence. We organize these characteristics into a knowledge graph, making them more accessible and easier to retrieve. Our system of different roles will leverage this knowledge graph to generate new jailbreaks, which have proved effective in inducing LLMs to generate unethical or guideline-violating responses. In addition, we also pioneer a setting in our system that will automatically follow the government-issued guidelines to generate jailbreaks to test whether LLMs follow the guidelines accordingly. We refer to our system as GUARD (Guideline Upholding through Adaptive Role-play Diagnostics). We have empirically validated the effectiveness of GUARD on three cutting-edge open-sourced LLMs (Vicuna-13B, LongChat-7B, and Llama-2-7B), as well as a widely-utilized commercial LLM (ChatGPT). Moreover, our work extends to the realm of vision language models (MiniGPT-v2 and Gemini Vision Pro), showcasing GUARD's versatility and contributing valuable insights for the development of safer, more reliable LLM-based applications across diverse modalities.

Application of NotebookLM, a Large Language Model with Retrieval-Augmented Generation, for Lung Cancer Staging

Purpose: In radiology, large language models (LLMs), including ChatGPT, have recently gained attention, and their utility is being rapidly evaluated. However, concerns have emerged regarding their reliability in clinical applications due to limitations such as hallucinations and insufficient referencing. To address these issues, we focus on the latest technology, retrieval-augmented generation (RAG), which enables LLMs to reference reliable external knowledge (REK). Specifically, this study examines the utility and reliability of a recently released RAG-equipped LLM (RAG-LLM), NotebookLM, for staging lung cancer. Materials and methods: We summarized the current lung cancer staging guideline in Japan and provided this as REK to NotebookLM. We then tasked NotebookLM with staging 100 fictional lung cancer cases based on CT findings and evaluated its accuracy. For comparison, we performed the same task using a gold-standard LLM, GPT-4 Omni (GPT-4o), both with and without the REK. Results: NotebookLM achieved 86% diagnostic accuracy in the lung cancer staging experiment, outperforming GPT-4o, which recorded 39% accuracy with the REK and 25% without it. Moreover, NotebookLM demonstrated 95% accuracy in searching reference locations within the REK. Conclusion: NotebookLM successfully performed lung cancer staging by utilizing the REK, demonstrating superior performance compared to GPT-4o. Additionally, it provided highly accurate reference locations within the REK, allowing radiologists to efficiently evaluate the reliability of NotebookLM's responses and detect possible hallucinations. Overall, this study highlights the potential of NotebookLM, a RAG-LLM, in image diagnosis.

Modeling of learning curves with applications to pos tagging

An algorithm to estimate the evolution of learning curves on the whole of a training data base, based on the results obtained from a portion and using a functional strategy, is introduced. We approximate iteratively the sought value at the desired time, independently of the learning technique used and once a point in the process, called prediction level, has been passed. The proposal proves to be formally correct with respect to our working hypotheses and includes a reliable proximity condition. This allows the user to fix a convergence threshold with respect to the accuracy finally achievable, which extends the concept of stopping criterion and seems to be effective even in the presence of distorting observations. Our aim is to evaluate the training effort, supporting decision making in order to reduce the need for both human and computational resources during the learning process. The proposal is of interest in at least three operational procedures. The first is the anticipation of accuracy gain, with the purpose of measuring how much work is needed to achieve a certain degree of performance. The second relates the comparison of efficiency between systems at training time, with the objective of completing this task only for the one that best suits our requirements. The prediction of accuracy is also a valuable item of information for customizing systems, since we can estimate in advance the impact of settings on both the performance and the development costs. Using the generation of part-of-speech taggers as an example application, the experimental results are consistent with our expectations.

Robo3D: Towards Robust and Reliable 3D Perception against Corruptions

The robustness of 3D perception systems under natural corruptions from environments and sensors is pivotal for safety-critical applications. Existing large-scale 3D perception datasets often contain data that are meticulously cleaned. Such configurations, however, cannot reflect the reliability of perception models during the deployment stage. In this work, we present Robo3D, the first comprehensive benchmark heading toward probing the robustness of 3D detectors and segmentors under out-of-distribution scenarios against natural corruptions that occur in real-world environments. Specifically, we consider eight corruption types stemming from adversarial weather conditions, external disturbances, and internal sensor failure. We uncover that, although promising results have been progressively achieved on standard benchmarks, state-of-the-art 3D perception models are at risk of being vulnerable to corruptions. We draw key observations on the use of data representations, augmentation schemes, and training strategies, that could severely affect the model's performance. To pursue better robustness, we propose a density-insensitive training framework along with a simple flexible voxelization strategy to enhance the model resiliency. We hope our benchmark and approach could inspire future research in designing more robust and reliable 3D perception models. Our robustness benchmark suite is publicly available.

Segmentation of 3D pore space from CT images using curvilinear skeleton: application to numerical simulation of microbial decomposition

Recent advances in 3D X-ray Computed Tomographic (CT) sensors have stimulated research efforts to unveil the extremely complex micro-scale processes that control the activity of soil microorganisms. Voxel-based description (up to hundreds millions voxels) of the pore space can be extracted, from grey level 3D CT scanner images, by means of simple image processing tools. Classical methods for numerical simulation of biological dynamics using mesh of voxels, such as Lattice Boltzmann Model (LBM), are too much time consuming. Thus, the use of more compact and reliable geometrical representations of pore space can drastically decrease the computational cost of the simulations. Several recent works propose basic analytic volume primitives (e.g. spheres, generalized cylinders, ellipsoids) to define a piece-wise approximation of pore space for numerical simulation of draining, diffusion and microbial decomposition. Such approaches work well but the drawback is that it generates approximation errors. In the present work, we study another alternative where pore space is described by means of geometrically relevant connected subsets of voxels (regions) computed from the curvilinear skeleton. Indeed, many works use the curvilinear skeleton (3D medial axis) for analyzing and partitioning 3D shapes within various domains (medicine, material sciences, petroleum engineering, etc.) but only a few ones in soil sciences. Within the context of soil sciences, most studies dealing with 3D medial axis focus on the determination of pore throats. Here, we segment pore space using curvilinear skeleton in order to achieve numerical simulation of microbial decomposition (including diffusion processes). We validate simulation outputs by comparison with other methods using different pore space geometrical representations (balls, voxels).

TurkishBERTweet: Fast and Reliable Large Language Model for Social Media Analysis

Turkish is one of the most popular languages in the world. Wide us of this language on social media platforms such as Twitter, Instagram, or Tiktok and strategic position of the country in the world politics makes it appealing for the social network researchers and industry. To address this need, we introduce TurkishBERTweet, the first large scale pre-trained language model for Turkish social media built using almost 900 million tweets. The model shares the same architecture as base BERT model with smaller input length, making TurkishBERTweet lighter than BERTurk and can have significantly lower inference time. We trained our model using the same approach for RoBERTa model and evaluated on two text classification tasks: Sentiment Classification and Hate Speech Detection. We demonstrate that TurkishBERTweet outperforms the other available alternatives on generalizability and its lower inference time gives significant advantage to process large-scale datasets. We also compared our models with the commercial OpenAI solutions in terms of cost and performance to demonstrate TurkishBERTweet is scalable and cost-effective solution. As part of our research, we released TurkishBERTweet and fine-tuned LoRA adapters for the mentioned tasks under the MIT License to facilitate future research and applications on Turkish social media. Our TurkishBERTweet model is available at: https://github.com/ViralLab/TurkishBERTweet

Towards Reliable Neural Specifications

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.

From time-series to complex networks: Application to the cerebrovascular flow patterns in atrial fibrillation

A network-based approach is presented to investigate the cerebrovascular flow patterns during atrial fibrillation (AF) with respect to normal sinus rhythm (NSR). AF, the most common cardiac arrhythmia with faster and irregular beating, has been recently and independently associated with the increased risk of dementia. However, the underlying hemodynamic mechanisms relating the two pathologies remain mainly undetermined so far; thus the contribution of modeling and refined statistical tools is valuable. Pressure and flow rate temporal series in NSR and AF are here evaluated along representative cerebral sites (from carotid arteries to capillary brain circulation), exploiting reliable artificially built signals recently obtained from an in silico approach. The complex network analysis evidences, in a synthetic and original way, a dramatic signal variation towards the distal/capillary cerebral regions during AF, which has no counterpart in NSR conditions. At the large artery level, networks obtained from both AF and NSR hemodynamic signals exhibit elongated and chained features, which are typical of pseudo-periodic series. These aspects are almost completely lost towards the microcirculation during AF, where the networks are topologically more circular and present random-like characteristics. As a consequence, all the physiological phenomena at microcerebral level ruled by periodicity - such as regular perfusion, mean pressure per beat, and average nutrient supply at cellular level - can be strongly compromised, since the AF hemodynamic signals assume irregular behaviour and random-like features. Through a powerful approach which is complementary to the classical statistical tools, the present findings further strengthen the potential link between AF hemodynamic and cognitive decline.

Deep Probability Estimation

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

Pay Attention to Evolution: Time Series Forecasting with Deep Graph-Evolution Learning

Time-series forecasting is one of the most active research topics in artificial intelligence. Applications in real-world time series should consider two factors for achieving reliable predictions: modeling dynamic dependencies among multiple variables and adjusting the model's intrinsic hyperparameters. A still open gap in that literature is that statistical and ensemble learning approaches systematically present lower predictive performance than deep learning methods. They generally disregard the data sequence aspect entangled with multivariate data represented in more than one time series. Conversely, this work presents a novel neural network architecture for time-series forecasting that combines the power of graph evolution with deep recurrent learning on distinct data distributions; we named our method Recurrent Graph Evolution Neural Network (ReGENN). The idea is to infer multiple multivariate relationships between co-occurring time-series by assuming that the temporal data depends not only on inner variables and intra-temporal relationships (i.e., observations from itself) but also on outer variables and inter-temporal relationships (i.e., observations from other-selves). An extensive set of experiments was conducted comparing ReGENN with dozens of ensemble methods and classical statistical ones, showing sound improvement of up to 64.87% over the competing algorithms. Furthermore, we present an analysis of the intermediate weights arising from ReGENN, showing that by looking at inter and intra-temporal relationships simultaneously, time-series forecasting is majorly improved if paying attention to how multiple multivariate data synchronously evolve.

TurtleBench: Evaluating Top Language Models via Real-World Yes/No Puzzles

As the application of Large Language Models (LLMs) expands, the demand for reliable evaluations increases. Existing LLM evaluation benchmarks primarily rely on static datasets, making it challenging to assess model performance in dynamic interactions with users. Moreover, these benchmarks often depend on specific background knowledge, complicating the measurement of a model's logical reasoning capabilities. Other dynamic evaluation methods based on strong models or manual efforts may introduce biases and incur high costs and time demands, hindering large-scale application. To address these issues, we propose TurtleBench. TurtleBench collects real user guesses from our online Turtle Soup Puzzle platform that we developed. This approach allows for the relatively dynamic generation of evaluation datasets, mitigating the risk of model cheating while aligning assessments more closely with genuine user needs for reasoning capabilities, thus enhancing the reliability of evaluations. TurtleBench includes 1,532 user guesses along with the correctness of guesses after annotation. Using this dataset, we thoroughly evaluated nine of the most advanced LLMs available today. Notably, the OpenAI o1 series models did not achieve leading results in these evaluations. We propose several hypotheses for further research, such as "the latent reasoning of o1 utilizes trivial Chain-of-Thought (CoT) techniques" and "increasing CoT length not only provides reasoning benefits but also incurs noise costs."

CityBench: Evaluating the Capabilities of Large Language Model as World Model

Large language models (LLMs) with powerful generalization ability has been widely used in many domains. A systematic and reliable evaluation of LLMs is a crucial step in their development and applications, especially for specific professional fields. In the urban domain, there have been some early explorations about the usability of LLMs, but a systematic and scalable evaluation benchmark is still lacking. The challenge in constructing a systematic evaluation benchmark for the urban domain lies in the diversity of data and scenarios, as well as the complex and dynamic nature of cities. In this paper, we propose CityBench, an interactive simulator based evaluation platform, as the first systematic evaluation benchmark for the capability of LLMs for urban domain. First, we build CitySim to integrate the multi-source data and simulate fine-grained urban dynamics. Based on CitySim, we design 7 tasks in 2 categories of perception-understanding and decision-making group to evaluate the capability of LLMs as city-scale world model for urban domain. Due to the flexibility and ease-of-use of CitySim, our evaluation platform CityBench can be easily extended to any city in the world. We evaluate 13 well-known LLMs including open source LLMs and commercial LLMs in 13 cities around the world. Extensive experiments demonstrate the scalability and effectiveness of proposed CityBench and shed lights for the future development of LLMs in urban domain. The dataset, benchmark and source codes are openly accessible to the research community via https://github.com/tsinghua-fib-lab/CityBench

How Does Vision-Language Adaptation Impact the Safety of Vision Language Models?

Vision-Language adaptation (VL adaptation) transforms Large Language Models (LLMs) into Large Vision-Language Models (LVLMs) for multimodal tasks, but this process often compromises the inherent safety capabilities embedded in the original LLMs. Despite potential harmfulness due to weakened safety measures, in-depth analysis on the effects of VL adaptation on safety remains under-explored. This study examines how VL adaptation influences safety and evaluates the impact of safety fine-tuning methods. Our analysis reveals that safety degradation occurs during VL adaptation, even when the training data is safe. While safety tuning techniques like supervised fine-tuning with safety datasets or reinforcement learning from human feedback mitigate some risks, they still lead to safety degradation and a reduction in helpfulness due to over-rejection issues. Further analysis of internal model weights suggests that VL adaptation may impact certain safety-related layers, potentially lowering overall safety levels. Additionally, our findings demonstrate that the objectives of VL adaptation and safety tuning are divergent, which often results in their simultaneous application being suboptimal. To address this, we suggest the weight merging approach as an optimal solution effectively reducing safety degradation while maintaining helpfulness. These insights help guide the development of more reliable and secure LVLMs for real-world applications.

SFR-RAG: Towards Contextually Faithful LLMs

Retrieval Augmented Generation (RAG), a paradigm that integrates external contextual information with large language models (LLMs) to enhance factual accuracy and relevance, has emerged as a pivotal area in generative AI. The LLMs used in RAG applications are required to faithfully and completely comprehend the provided context and users' questions, avoid hallucination, handle unanswerable, counterfactual or otherwise low-quality and irrelevant contexts, perform complex multi-hop reasoning and produce reliable citations. In this paper, we introduce SFR-RAG, a small LLM that is instruction-tuned with an emphasis on context-grounded generation and hallucination minimization. We also present ContextualBench, a new evaluation framework compiling multiple popular and diverse RAG benchmarks, such as HotpotQA and TriviaQA, with consistent RAG settings to ensure reproducibility and consistency in model assessments. Experimental results demonstrate that our SFR-RAG-9B model outperforms leading baselines such as Command-R+ (104B) and GPT-4o, achieving state-of-the-art results in 3 out of 7 benchmarks in ContextualBench with significantly fewer parameters. The model is also shown to be resilient to alteration in the contextual information and behave appropriately when relevant context is removed. Additionally, the SFR-RAG model maintains competitive performance in general instruction-following tasks and function-calling capabilities.

CLEA: Closed-Loop Embodied Agent for Enhancing Task Execution in Dynamic Environments

Large Language Models (LLMs) exhibit remarkable capabilities in the hierarchical decomposition of complex tasks through semantic reasoning. However, their application in embodied systems faces challenges in ensuring reliable execution of subtask sequences and achieving one-shot success in long-term task completion. To address these limitations in dynamic environments, we propose Closed-Loop Embodied Agent (CLEA) -- a novel architecture incorporating four specialized open-source LLMs with functional decoupling for closed-loop task management. The framework features two core innovations: (1) Interactive task planner that dynamically generates executable subtasks based on the environmental memory, and (2) Multimodal execution critic employing an evaluation framework to conduct a probabilistic assessment of action feasibility, triggering hierarchical re-planning mechanisms when environmental perturbations exceed preset thresholds. To validate CLEA's effectiveness, we conduct experiments in a real environment with manipulable objects, using two heterogeneous robots for object search, manipulation, and search-manipulation integration tasks. Across 12 task trials, CLEA outperforms the baseline model, achieving a 67.3% improvement in success rate and a 52.8% increase in task completion rate. These results demonstrate that CLEA significantly enhances the robustness of task planning and execution in dynamic environments.

Trustworthy LLMs: a Survey and Guideline for Evaluating Large Language Models' Alignment

Ensuring alignment, which refers to making models behave in accordance with human intentions [1,2], has become a critical task before deploying large language models (LLMs) in real-world applications. For instance, OpenAI devoted six months to iteratively aligning GPT-4 before its release [3]. However, a major challenge faced by practitioners is the lack of clear guidance on evaluating whether LLM outputs align with social norms, values, and regulations. This obstacle hinders systematic iteration and deployment of LLMs. To address this issue, this paper presents a comprehensive survey of key dimensions that are crucial to consider when assessing LLM trustworthiness. The survey covers seven major categories of LLM trustworthiness: reliability, safety, fairness, resistance to misuse, explainability and reasoning, adherence to social norms, and robustness. Each major category is further divided into several sub-categories, resulting in a total of 29 sub-categories. Additionally, a subset of 8 sub-categories is selected for further investigation, where corresponding measurement studies are designed and conducted on several widely-used LLMs. The measurement results indicate that, in general, more aligned models tend to perform better in terms of overall trustworthiness. However, the effectiveness of alignment varies across the different trustworthiness categories considered. This highlights the importance of conducting more fine-grained analyses, testing, and making continuous improvements on LLM alignment. By shedding light on these key dimensions of LLM trustworthiness, this paper aims to provide valuable insights and guidance to practitioners in the field. Understanding and addressing these concerns will be crucial in achieving reliable and ethically sound deployment of LLMs in various applications.

Split and Merge: Aligning Position Biases in Large Language Model based Evaluators

Large language models (LLMs) have shown promise as automated evaluators for assessing the quality of answers generated by AI systems. However, these LLM-based evaluators exhibit position bias, or inconsistency, when used to evaluate candidate answers in pairwise comparisons, favoring either the first or second answer regardless of content. To address this limitation, we propose PORTIA, an alignment-based system designed to mimic human comparison strategies to calibrate position bias in a lightweight yet effective manner. Specifically, PORTIA splits the answers into multiple segments, aligns similar content across candidate answers, and then merges them back into a single prompt for evaluation by LLMs. We conducted extensive experiments with six diverse LLMs to evaluate 11,520 answer pairs. Our results show that PORTIA markedly enhances the consistency rates for all the models and comparison forms tested, achieving an average relative improvement of 47.46%. Remarkably, PORTIA enables less advanced GPT models to achieve 88% agreement with the state-of-the-art GPT-4 model at just 10% of the cost. Furthermore, it rectifies around 80% of the position bias instances within the GPT-4 model, elevating its consistency rate up to 98%. Subsequent human evaluations indicate that the PORTIA-enhanced GPT-3.5 model can even surpass the standalone GPT-4 in terms of alignment with human evaluators. These findings highlight PORTIA's ability to correct position bias, improve LLM consistency, and boost performance while keeping cost-efficiency. This represents a valuable step toward a more reliable and scalable use of LLMs for automated evaluations across diverse applications.

SelfCheckAgent: Zero-Resource Hallucination Detection in Generative Large Language Models

Detecting hallucinations in Large Language Models (LLMs) remains a critical challenge for their reliable deployment in real-world applications. To address this, we introduce SelfCheckAgent, a novel framework integrating three different agents: the Symbolic Agent, the Specialized Detection Agent, and the Contextual Consistency Agent. These agents provide a robust multi-dimensional approach to hallucination detection. Notable results include the Contextual Consistency Agent leveraging Llama 3.1 with Chain-of-Thought (CoT) to achieve outstanding performance on the WikiBio dataset, with NonFactual hallucination detection scoring 93.64%, Factual 70.26%, and Ranking 78.48% respectively. On the AIME dataset, GPT-4o with CoT excels in NonFactual detection with 94.89% but reveals trade-offs in Factual with 30.58% and Ranking with 30.68%, underscoring the complexity of hallucination detection in the complex mathematical domains. The framework also incorporates a triangulation strategy, which increases the strengths of the SelfCheckAgent, yielding significant improvements in real-world hallucination identification. The comparative analysis demonstrates SelfCheckAgent's applicability across diverse domains, positioning it as a crucial advancement for trustworthy LLMs. These findings highlight the potentiality of consistency-driven methodologies in detecting hallucinations in LLMs.

An Anonymous Authentication and Communication Protocol for Wireless Mesh Networks

Wireless mesh networks (WMNs) have emerged as a key technology for next generation wireless broadband networks showing rapid progress and inspiring numerous compelling applications. A WMN comprises of a set of mesh routers (MRs) and mesh clients (MCs), where MRs are connected to the Internet backbone through the Internet gateways (IGWs). The MCs are wireless devices and communicate among themselves over possibly multi-hop paths with or without the involvement of MRs. User privacy and security have been primary concerns in WMNs due to their peer-to-peer network topology, shared wireless medium, stringent resource constraints, and highly dynamic environment. Moreover, to support real-time applications, WMNs must also be equipped with robust, reliable and efficient communication protocols so as to minimize the end-to-end latency and packet drops. Design of a secure and efficient communication protocol for WMNs, therefore, is of paramount importance. In this paper, we propose a security and privacy protocol that provides security and user anonymity while maintaining communication efficiency in a WMN. The security protocol ensures secure authentication and encryption in access and the backbone networks. The user anonymity, authentication and data privacy is achieved by application of a protocol that is based on Rivest's ring signature scheme. Simulation results demonstrate that while the protocols have minimal storage and communication overhead, they are robust and provide high level of security and privacy to the users of the network services.

Re-Align: Aligning Vision Language Models via Retrieval-Augmented Direct Preference Optimization

The emergence of large Vision Language Models (VLMs) has broadened the scope and capabilities of single-modal Large Language Models (LLMs) by integrating visual modalities, thereby unlocking transformative cross-modal applications in a variety of real-world scenarios. Despite their impressive performance, VLMs are prone to significant hallucinations, particularly in the form of cross-modal inconsistencies. Building on the success of Reinforcement Learning from Human Feedback (RLHF) in aligning LLMs, recent advancements have focused on applying direct preference optimization (DPO) on carefully curated datasets to mitigate these issues. Yet, such approaches typically introduce preference signals in a brute-force manner, neglecting the crucial role of visual information in the alignment process. In this paper, we introduce Re-Align, a novel alignment framework that leverages image retrieval to construct a dual-preference dataset, effectively incorporating both textual and visual preference signals. We further introduce rDPO, an extension of the standard direct preference optimization that incorporates an additional visual preference objective during fine-tuning. Our experimental results demonstrate that Re-Align not only mitigates hallucinations more effectively than previous methods but also yields significant performance gains in general visual question-answering (VQA) tasks. Moreover, we show that Re-Align maintains robustness and scalability across a wide range of VLM sizes and architectures. This work represents a significant step forward in aligning multimodal LLMs, paving the way for more reliable and effective cross-modal applications. We release all the code in https://github.com/taco-group/Re-Align.

A Survey of Safety on Large Vision-Language Models: Attacks, Defenses and Evaluations

With the rapid advancement of Large Vision-Language Models (LVLMs), ensuring their safety has emerged as a crucial area of research. This survey provides a comprehensive analysis of LVLM safety, covering key aspects such as attacks, defenses, and evaluation methods. We introduce a unified framework that integrates these interrelated components, offering a holistic perspective on the vulnerabilities of LVLMs and the corresponding mitigation strategies. Through an analysis of the LVLM lifecycle, we introduce a classification framework that distinguishes between inference and training phases, with further subcategories to provide deeper insights. Furthermore, we highlight limitations in existing research and outline future directions aimed at strengthening the robustness of LVLMs. As part of our research, we conduct a set of safety evaluations on the latest LVLM, Deepseek Janus-Pro, and provide a theoretical analysis of the results. Our findings provide strategic recommendations for advancing LVLM safety and ensuring their secure and reliable deployment in high-stakes, real-world applications. This survey aims to serve as a cornerstone for future research, facilitating the development of models that not only push the boundaries of multimodal intelligence but also adhere to the highest standards of security and ethical integrity. Furthermore, to aid the growing research in this field, we have created a public repository to continuously compile and update the latest work on LVLM safety: https://github.com/XuankunRong/Awesome-LVLM-Safety .

VILA-M3: Enhancing Vision-Language Models with Medical Expert Knowledge

Generalist vision language models (VLMs) have made significant strides in computer vision, but they fall short in specialized fields like healthcare, where expert knowledge is essential. In traditional computer vision tasks, creative or approximate answers may be acceptable, but in healthcare, precision is paramount.Current large multimodal models like Gemini and GPT-4o are insufficient for medical tasks due to their reliance on memorized internet knowledge rather than the nuanced expertise required in healthcare. VLMs are usually trained in three stages: vision pre-training, vision-language pre-training, and instruction fine-tuning (IFT). IFT has been typically applied using a mixture of generic and healthcare data. In contrast, we propose that for medical VLMs, a fourth stage of specialized IFT is necessary, which focuses on medical data and includes information from domain expert models. Domain expert models developed for medical use are crucial because they are specifically trained for certain clinical tasks, e.g. to detect tumors and classify abnormalities through segmentation and classification, which learn fine-grained features of medical data-features that are often too intricate for a VLM to capture effectively especially in radiology. This paper introduces a new framework, VILA-M3, for medical VLMs that utilizes domain knowledge via expert models. Through our experiments, we show an improved state-of-the-art (SOTA) performance with an average improvement of ~9% over the prior SOTA model Med-Gemini and ~6% over models trained on the specific tasks. Our approach emphasizes the importance of domain expertise in creating precise, reliable VLMs for medical applications.

Generalizable End-to-End Deep Learning Frameworks for Real-Time Attitude Estimation Using 6DoF Inertial Measurement Units

This paper presents a novel end-to-end deep learning framework for real-time inertial attitude estimation using 6DoF IMU measurements. Inertial Measurement Units are widely used in various applications, including engineering and medical sciences. However, traditional filters used for attitude estimation suffer from poor generalization over different motion patterns and environmental disturbances. To address this problem, we propose two deep learning models that incorporate accelerometer and gyroscope readings as inputs. These models are designed to be generalized to different motion patterns, sampling rates, and environmental disturbances. Our models consist of convolutional neural network layers combined with Bi-Directional Long-Short Term Memory followed by a Fully Forward Neural Network to estimate the quaternion. We evaluate the proposed method on seven publicly available datasets, totaling more than 120 hours and 200 kilometers of IMU measurements. Our results show that the proposed method outperforms state-of-the-art methods in terms of accuracy and robustness. Additionally, our framework demonstrates superior generalization over various motion characteristics and sensor sampling rates. Overall, this paper provides a comprehensive and reliable solution for real-time inertial attitude estimation using 6DoF IMUs, which has significant implications for a wide range of applications.

Worse than Zero-shot? A Fact-Checking Dataset for Evaluating the Robustness of RAG Against Misleading Retrievals

Retrieval-augmented generation (RAG) has shown impressive capabilities in mitigating hallucinations in large language models (LLMs). However, LLMs struggle to handle misleading retrievals and often fail to maintain their own reasoning when exposed to conflicting or selectively-framed evidence, making them vulnerable to real-world misinformation. In such real-world retrieval scenarios, misleading and conflicting information is rampant, particularly in the political domain, where evidence is often selectively framed, incomplete, or polarized. However, existing RAG benchmarks largely assume a clean retrieval setting, where models succeed by accurately retrieving and generating answers from gold-standard documents. This assumption fails to align with real-world conditions, leading to an overestimation of RAG system performance. To bridge this gap, we introduce RAGuard, a fact-checking dataset designed to evaluate the robustness of RAG systems against misleading retrievals. Unlike prior benchmarks that rely on synthetic noise, our dataset constructs its retrieval corpus from Reddit discussions, capturing naturally occurring misinformation. It categorizes retrieved evidence into three types: supporting, misleading, and irrelevant, providing a realistic and challenging testbed for assessing how well RAG systems navigate different retrieval information. Our benchmark experiments reveal that when exposed to misleading retrievals, all tested LLM-powered RAG systems perform worse than their zero-shot baselines (i.e., no retrieval at all), highlighting their susceptibility to noisy environments. To the best of our knowledge, RAGuard is the first benchmark to systematically assess RAG robustness against misleading evidence. We expect this benchmark will drive future research toward improving RAG systems beyond idealized datasets, making them more reliable for real-world applications.

Learning Conformal Abstention Policies for Adaptive Risk Management in Large Language and Vision-Language Models

Large Language and Vision-Language Models (LLMs/VLMs) are increasingly used in safety-critical applications, yet their opaque decision-making complicates risk assessment and reliability. Uncertainty quantification (UQ) helps assess prediction confidence and enables abstention when uncertainty is high. Conformal prediction (CP), a leading UQ method, provides statistical guarantees but relies on static thresholds, which fail to adapt to task complexity and evolving data distributions, leading to suboptimal trade-offs in accuracy, coverage, and informativeness. To address this, we propose learnable conformal abstention, integrating reinforcement learning (RL) with CP to optimize abstention thresholds dynamically. By treating CP thresholds as adaptive actions, our approach balances multiple objectives, minimizing prediction set size while maintaining reliable coverage. Extensive evaluations across diverse LLM/VLM benchmarks show our method outperforms Least Ambiguous Classifiers (LAC) and Adaptive Prediction Sets (APS), improving accuracy by up to 3.2%, boosting AUROC for hallucination detection by 22.19%, enhancing uncertainty-guided selective generation (AUARC) by 21.17%, and reducing calibration error by 70%-85%. These improvements hold across multiple models and datasets while consistently meeting the 90% coverage target, establishing our approach as a more effective and flexible solution for reliable decision-making in safety-critical applications. The code is available at: {https://github.com/sinatayebati/vlm-uncertainty}.

Bt-GAN: Generating Fair Synthetic Healthdata via Bias-transforming Generative Adversarial Networks

Synthetic data generation offers a promising solution to enhance the usefulness of Electronic Healthcare Records (EHR) by generating realistic de-identified data. However, the existing literature primarily focuses on the quality of synthetic health data, neglecting the crucial aspect of fairness in downstream predictions. Consequently, models trained on synthetic EHR have faced criticism for producing biased outcomes in target tasks. These biases can arise from either spurious correlations between features or the failure of models to accurately represent sub-groups. To address these concerns, we present Bias-transforming Generative Adversarial Networks (Bt-GAN), a GAN-based synthetic data generator specifically designed for the healthcare domain. In order to tackle spurious correlations (i), we propose an information-constrained Data Generation Process that enables the generator to learn a fair deterministic transformation based on a well-defined notion of algorithmic fairness. To overcome the challenge of capturing exact sub-group representations (ii), we incentivize the generator to preserve sub-group densities through score-based weighted sampling. This approach compels the generator to learn from underrepresented regions of the data manifold. We conduct extensive experiments using the MIMIC-III database. Our results demonstrate that Bt-GAN achieves SOTA accuracy while significantly improving fairness and minimizing bias amplification. We also perform an in-depth explainability analysis to provide additional evidence supporting the validity of our study. In conclusion, our research introduces a novel and professional approach to addressing the limitations of synthetic data generation in the healthcare domain. By incorporating fairness considerations and leveraging advanced techniques such as GANs, we pave the way for more reliable and unbiased predictions in healthcare applications.

Principle-Driven Self-Alignment of Language Models from Scratch with Minimal Human Supervision

Recent AI-assistant agents, such as ChatGPT, predominantly rely on supervised fine-tuning (SFT) with human annotations and reinforcement learning from human feedback (RLHF) to align the output of large language models (LLMs) with human intentions, ensuring they are helpful, ethical, and reliable. However, this dependence can significantly constrain the true potential of AI-assistant agents due to the high cost of obtaining human supervision and the related issues on quality, reliability, diversity, self-consistency, and undesirable biases. To address these challenges, we propose a novel approach called SELF-ALIGN, which combines principle-driven reasoning and the generative power of LLMs for the self-alignment of AI agents with minimal human supervision. Our approach encompasses four stages: first, we use an LLM to generate synthetic prompts, and a topic-guided method to augment the prompt diversity; second, we use a small set of human-written principles for AI models to follow, and guide the LLM through in-context learning from demonstrations (of principles application) to produce helpful, ethical, and reliable responses to user's queries; third, we fine-tune the original LLM with the high-quality self-aligned responses so that the resulting model can generate desirable responses for each query directly without the principle set and the demonstrations anymore; and finally, we offer a refinement step to address the issues of overly-brief or indirect responses. Applying SELF-ALIGN to the LLaMA-65b base language model, we develop an AI assistant named Dromedary. With fewer than 300 lines of human annotations (including < 200 seed prompts, 16 generic principles, and 5 exemplars for in-context learning). Dromedary significantly surpasses the performance of several state-of-the-art AI systems, including Text-Davinci-003 and Alpaca, on benchmark datasets with various settings.

Reliable and Efficient Multi-Agent Coordination via Graph Neural Network Variational Autoencoders

Multi-agent coordination is crucial for reliable multi-robot navigation in shared spaces such as automated warehouses. In regions of dense robot traffic, local coordination methods may fail to find a deadlock-free solution. In these scenarios, it is appropriate to let a central unit generate a global schedule that decides the passing order of robots. However, the runtime of such centralized coordination methods increases significantly with the problem scale. In this paper, we propose to leverage Graph Neural Network Variational Autoencoders (GNN-VAE) to solve the multi-agent coordination problem at scale faster than through centralized optimization. We formulate the coordination problem as a graph problem and collect ground truth data using a Mixed-Integer Linear Program (MILP) solver. During training, our learning framework encodes good quality solutions of the graph problem into a latent space. At inference time, solution samples are decoded from the sampled latent variables, and the lowest-cost sample is selected for coordination. Finally, the feasible proposal with the highest performance index is selected for the deployment. By construction, our GNN-VAE framework returns solutions that always respect the constraints of the considered coordination problem. Numerical results show that our approach trained on small-scale problems can achieve high-quality solutions even for large-scale problems with 250 robots, being much faster than other baselines. Project page: https://mengyuest.github.io/gnn-vae-coord

Reliable and Efficient In-Memory Fault Tolerance of Large Language Model Pretraining

Extensive system scales (i.e. thousands of GPU/TPUs) and prolonged training periods (i.e. months of pretraining) significantly escalate the probability of failures when training large language models (LLMs). Thus, efficient and reliable fault-tolerance methods are in urgent need. Checkpointing is the primary fault-tolerance method to periodically save parameter snapshots from GPU memory to disks via CPU memory. In this paper, we identify the frequency of existing checkpoint-based fault-tolerance being significantly limited by the storage I/O overheads, which results in hefty re-training costs on restarting from the nearest checkpoint. In response to this gap, we introduce an in-memory fault-tolerance framework for large-scale LLM pretraining. The framework boosts the efficiency and reliability of fault tolerance from three aspects: (1) Reduced Data Transfer and I/O: By asynchronously caching parameters, i.e., sharded model parameters, optimizer states, and RNG states, to CPU volatile memory, Our framework significantly reduces communication costs and bypasses checkpoint I/O. (2) Enhanced System Reliability: Our framework enhances parameter protection with a two-layer hierarchy: snapshot management processes (SMPs) safeguard against software failures, together with Erasure Coding (EC) protecting against node failures. This double-layered protection greatly improves the survival probability of the parameters compared to existing checkpointing methods. (3) Improved Snapshotting Frequency: Our framework achieves more frequent snapshotting compared with asynchronous checkpointing optimizations under the same saving time budget, which improves the fault tolerance efficiency. Empirical results demonstrate that Our framework minimizes the overhead of fault tolerance of LLM pretraining by effectively leveraging redundant CPU resources.

Reliable Tuberculosis Detection using Chest X-ray with Deep Learning, Segmentation and Visualization

Tuberculosis (TB) is a chronic lung disease that occurs due to bacterial infection and is one of the top 10 leading causes of death. Accurate and early detection of TB is very important, otherwise, it could be life-threatening. In this work, we have detected TB reliably from the chest X-ray images using image pre-processing, data augmentation, image segmentation, and deep-learning classification techniques. Several public databases were used to create a database of 700 TB infected and 3500 normal chest X-ray images for this study. Nine different deep CNNs (ResNet18, ResNet50, ResNet101, ChexNet, InceptionV3, Vgg19, DenseNet201, SqueezeNet, and MobileNet), which were used for transfer learning from their pre-trained initial weights and trained, validated and tested for classifying TB and non-TB normal cases. Three different experiments were carried out in this work: segmentation of X-ray images using two different U-net models, classification using X-ray images, and segmented lung images. The accuracy, precision, sensitivity, F1-score, specificity in the detection of tuberculosis using X-ray images were 97.07 %, 97.34 %, 97.07 %, 97.14 % and 97.36 % respectively. However, segmented lungs for the classification outperformed than whole X-ray image-based classification and accuracy, precision, sensitivity, F1-score, specificity were 99.9 %, 99.91 %, 99.9 %, 99.9 %, and 99.52 % respectively. The paper also used a visualization technique to confirm that CNN learns dominantly from the segmented lung regions results in higher detection accuracy. The proposed method with state-of-the-art performance can be useful in the computer-aided faster diagnosis of tuberculosis.

Reliable and Efficient Concept Erasure of Text-to-Image Diffusion Models

Text-to-image models encounter safety issues, including concerns related to copyright and Not-Safe-For-Work (NSFW) content. Despite several methods have been proposed for erasing inappropriate concepts from diffusion models, they often exhibit incomplete erasure, consume a lot of computing resources, and inadvertently damage generation ability. In this work, we introduce Reliable and Efficient Concept Erasure (RECE), a novel approach that modifies the model in 3 seconds without necessitating additional fine-tuning. Specifically, RECE efficiently leverages a closed-form solution to derive new target embeddings, which are capable of regenerating erased concepts within the unlearned model. To mitigate inappropriate content potentially represented by derived embeddings, RECE further aligns them with harmless concepts in cross-attention layers. The derivation and erasure of new representation embeddings are conducted iteratively to achieve a thorough erasure of inappropriate concepts. Besides, to preserve the model's generation ability, RECE introduces an additional regularization term during the derivation process, resulting in minimizing the impact on unrelated concepts during the erasure process. All the processes above are in closed-form, guaranteeing extremely efficient erasure in only 3 seconds. Benchmarking against previous approaches, our method achieves more efficient and thorough erasure with minor damage to original generation ability and demonstrates enhanced robustness against red-teaming tools. Code is available at https://github.com/CharlesGong12/RECE.

Reliable Representations Make A Stronger Defender: Unsupervised Structure Refinement for Robust GNN

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by maliciously modifying the graph structure. A straightforward solution to remedy this issue is to model the edge weights by learning a metric function between pairwise representations of two end nodes, which attempts to assign low weights to adversarial edges. The existing methods use either raw features or representations learned by supervised GNNs to model the edge weights. However, both strategies are faced with some immediate problems: raw features cannot represent various properties of nodes (e.g., structure information), and representations learned by supervised GNN may suffer from the poor performance of the classifier on the poisoned graph. We need representations that carry both feature information and as mush correct structure information as possible and are insensitive to structural perturbations. To this end, we propose an unsupervised pipeline, named STABLE, to optimize the graph structure. Finally, we input the well-refined graph into a downstream classifier. For this part, we design an advanced GCN that significantly enhances the robustness of vanilla GCN without increasing the time complexity. Extensive experiments on four real-world graph benchmarks demonstrate that STABLE outperforms the state-of-the-art methods and successfully defends against various attacks.

RULE: Reliable Multimodal RAG for Factuality in Medical Vision Language Models

The recent emergence of Medical Large Vision Language Models (Med-LVLMs) has enhanced medical diagnosis. However, current Med-LVLMs frequently encounter factual issues, often generating responses that do not align with established medical facts. Retrieval-Augmented Generation (RAG), which utilizes external knowledge, can improve the factual accuracy of these models but introduces two major challenges. First, limited retrieved contexts might not cover all necessary information, while excessive retrieval can introduce irrelevant and inaccurate references, interfering with the model's generation. Second, in cases where the model originally responds correctly, applying RAG can lead to an over-reliance on retrieved contexts, resulting in incorrect answers. To address these issues, we propose RULE, which consists of two components. First, we introduce a provably effective strategy for controlling factuality risk through the calibrated selection of the number of retrieved contexts. Second, based on samples where over-reliance on retrieved contexts led to errors, we curate a preference dataset to fine-tune the model, balancing its dependence on inherent knowledge and retrieved contexts for generation. We demonstrate the effectiveness of RULE on three medical VQA datasets, achieving an average improvement of 20.8% in factual accuracy. We publicly release our benchmark and code in https://github.com/richard-peng-xia/RULE.

CDM: A Reliable Metric for Fair and Accurate Formula Recognition Evaluation

Formula recognition presents significant challenges due to the complicated structure and varied notation of mathematical expressions. Despite continuous advancements in formula recognition models, the evaluation metrics employed by these models, such as BLEU and Edit Distance, still exhibit notable limitations. They overlook the fact that the same formula has diverse representations and is highly sensitive to the distribution of training data, thereby causing the unfairness in formula recognition evaluation. To this end, we propose a Character Detection Matching (CDM) metric, ensuring the evaluation objectivity by designing a image-level rather than LaTex-level metric score. Specifically, CDM renders both the model-predicted LaTeX and the ground-truth LaTeX formulas into image-formatted formulas, then employs visual feature extraction and localization techniques for precise character-level matching, incorporating spatial position information. Such a spatially-aware and character-matching method offers a more accurate and equitable evaluation compared with previous BLEU and Edit Distance metrics that rely solely on text-based character matching. Experimentally, we evaluated various formula recognition models using CDM, BLEU, and ExpRate metrics. Their results demonstrate that the CDM aligns more closely with human evaluation standards and provides a fairer comparison across different models by eliminating discrepancies caused by diverse formula representations.

TRCE: Towards Reliable Malicious Concept Erasure in Text-to-Image Diffusion Models

Recent advances in text-to-image diffusion models enable photorealistic image generation, but they also risk producing malicious content, such as NSFW images. To mitigate risk, concept erasure methods are studied to facilitate the model to unlearn specific concepts. However, current studies struggle to fully erase malicious concepts implicitly embedded in prompts (e.g., metaphorical expressions or adversarial prompts) while preserving the model's normal generation capability. To address this challenge, our study proposes TRCE, using a two-stage concept erasure strategy to achieve an effective trade-off between reliable erasure and knowledge preservation. Firstly, TRCE starts by erasing the malicious semantics implicitly embedded in textual prompts. By identifying a critical mapping objective(i.e., the [EoT] embedding), we optimize the cross-attention layers to map malicious prompts to contextually similar prompts but with safe concepts. This step prevents the model from being overly influenced by malicious semantics during the denoising process. Following this, considering the deterministic properties of the sampling trajectory of the diffusion model, TRCE further steers the early denoising prediction toward the safe direction and away from the unsafe one through contrastive learning, thus further avoiding the generation of malicious content. Finally, we conduct comprehensive evaluations of TRCE on multiple malicious concept erasure benchmarks, and the results demonstrate its effectiveness in erasing malicious concepts while better preserving the model's original generation ability. The code is available at: http://github.com/ddgoodgood/TRCE. CAUTION: This paper includes model-generated content that may contain offensive material.

EvalMuse-40K: A Reliable and Fine-Grained Benchmark with Comprehensive Human Annotations for Text-to-Image Generation Model Evaluation

Recently, Text-to-Image (T2I) generation models have achieved significant advancements. Correspondingly, many automated metrics have emerged to evaluate the image-text alignment capabilities of generative models. However, the performance comparison among these automated metrics is limited by existing small datasets. Additionally, these datasets lack the capacity to assess the performance of automated metrics at a fine-grained level. In this study, we contribute an EvalMuse-40K benchmark, gathering 40K image-text pairs with fine-grained human annotations for image-text alignment-related tasks. In the construction process, we employ various strategies such as balanced prompt sampling and data re-annotation to ensure the diversity and reliability of our benchmark. This allows us to comprehensively evaluate the effectiveness of image-text alignment metrics for T2I models. Meanwhile, we introduce two new methods to evaluate the image-text alignment capabilities of T2I models: FGA-BLIP2 which involves end-to-end fine-tuning of a vision-language model to produce fine-grained image-text alignment scores and PN-VQA which adopts a novel positive-negative VQA manner in VQA models for zero-shot fine-grained evaluation. Both methods achieve impressive performance in image-text alignment evaluations. We also use our methods to rank current AIGC models, in which the results can serve as a reference source for future study and promote the development of T2I generation. The data and code will be made publicly available.

FIRST: Teach A Reliable Large Language Model Through Efficient Trustworthy Distillation

Large language models (LLMs) have become increasingly prevalent in our daily lives, leading to an expectation for LLMs to be trustworthy -- - both accurate and well-calibrated (the prediction confidence should align with its ground truth correctness likelihood). Nowadays, fine-tuning has become the most popular method for adapting a model to practical usage by significantly increasing accuracy on downstream tasks. Despite the great accuracy it achieves, we found fine-tuning is still far away from satisfactory trustworthiness due to "tuning-induced mis-calibration". In this paper, we delve deeply into why and how mis-calibration exists in fine-tuned models, and how distillation can alleviate the issue. Then we further propose a brand new method named Efficient Trustworthy Distillation (FIRST), which utilizes a small portion of teacher's knowledge to obtain a reliable language model in a cost-efficient way. Specifically, we identify the "concentrated knowledge" phenomenon during distillation, which can significantly reduce the computational burden. Then we apply a "trustworthy maximization" process to optimize the utilization of this small portion of concentrated knowledge before transferring it to the student. Experimental results demonstrate the effectiveness of our method, where better accuracy (+2.3%) and less mis-calibration (-10%) are achieved on average across both in-domain and out-of-domain scenarios, indicating better trustworthiness.

No Token Left Behind: Reliable KV Cache Compression via Importance-Aware Mixed Precision Quantization

Key-Value (KV) Caching has become an essential technique for accelerating the inference speed and throughput of generative Large Language Models~(LLMs). However, the memory footprint of the KV cache poses a critical bottleneck in LLM deployment as the cache size grows with batch size and sequence length, often surpassing even the size of the model itself. Although recent methods were proposed to select and evict unimportant KV pairs from the cache to reduce memory consumption, the potential ramifications of eviction on the generative process are yet to be thoroughly examined. In this paper, we examine the detrimental impact of cache eviction and observe that unforeseen risks arise as the information contained in the KV pairs is exhaustively discarded, resulting in safety breaches, hallucinations, and context loss. Surprisingly, we find that preserving even a small amount of information contained in the evicted KV pairs via reduced precision quantization substantially recovers the incurred degradation. On the other hand, we observe that the important KV pairs must be kept at a relatively higher precision to safeguard the generation quality. Motivated by these observations, we propose Mixed-precision KV cache~(MiKV), a reliable cache compression method that simultaneously preserves the context details by retaining the evicted KV pairs in low-precision and ensure generation quality by keeping the important KV pairs in high-precision. Experiments on diverse benchmarks and LLM backbones show that our proposed method offers a state-of-the-art trade-off between compression ratio and performance, compared to other baselines.

Building Safe and Reliable AI systems for Safety Critical Tasks with Vision-Language Processing

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

Revisiting Domain-Adaptive 3D Object Detection by Reliable, Diverse and Class-balanced Pseudo-Labeling

Unsupervised domain adaptation (DA) with the aid of pseudo labeling techniques has emerged as a crucial approach for domain-adaptive 3D object detection. While effective, existing DA methods suffer from a substantial drop in performance when applied to a multi-class training setting, due to the co-existence of low-quality pseudo labels and class imbalance issues. In this paper, we address this challenge by proposing a novel ReDB framework tailored for learning to detect all classes at once. Our approach produces Reliable, Diverse, and class-Balanced pseudo 3D boxes to iteratively guide the self-training on a distributionally different target domain. To alleviate disruptions caused by the environmental discrepancy (e.g., beam numbers), the proposed cross-domain examination (CDE) assesses the correctness of pseudo labels by copy-pasting target instances into a source environment and measuring the prediction consistency. To reduce computational overhead and mitigate the object shift (e.g., scales and point densities), we design an overlapped boxes counting (OBC) metric that allows to uniformly downsample pseudo-labeled objects across different geometric characteristics. To confront the issue of inter-class imbalance, we progressively augment the target point clouds with a class-balanced set of pseudo-labeled target instances and source objects, which boosts recognition accuracies on both frequently appearing and rare classes. Experimental results on three benchmark datasets using both voxel-based (i.e., SECOND) and point-based 3D detectors (i.e., PointRCNN) demonstrate that our proposed ReDB approach outperforms existing 3D domain adaptation methods by a large margin, improving 23.15% mAP on the nuScenes rightarrow KITTI task. The code is available at https://github.com/zhuoxiao-chen/ReDB-DA-3Ddet.

K-Sort Arena: Efficient and Reliable Benchmarking for Generative Models via K-wise Human Preferences

The rapid advancement of visual generative models necessitates efficient and reliable evaluation methods. Arena platform, which gathers user votes on model comparisons, can rank models with human preferences. However, traditional Arena methods, while established, require an excessive number of comparisons for ranking to converge and are vulnerable to preference noise in voting, suggesting the need for better approaches tailored to contemporary evaluation challenges. In this paper, we introduce K-Sort Arena, an efficient and reliable platform based on a key insight: images and videos possess higher perceptual intuitiveness than texts, enabling rapid evaluation of multiple samples simultaneously. Consequently, K-Sort Arena employs K-wise comparisons, allowing K models to engage in free-for-all competitions, which yield much richer information than pairwise comparisons. To enhance the robustness of the system, we leverage probabilistic modeling and Bayesian updating techniques. We propose an exploration-exploitation-based matchmaking strategy to facilitate more informative comparisons. In our experiments, K-Sort Arena exhibits 16.3x faster convergence compared to the widely used ELO algorithm. To further validate the superiority and obtain a comprehensive leaderboard, we collect human feedback via crowdsourced evaluations of numerous cutting-edge text-to-image and text-to-video models. Thanks to its high efficiency, K-Sort Arena can continuously incorporate emerging models and update the leaderboard with minimal votes. Our project has undergone several months of internal testing and is now available at https://huggingface.co/spaces/ksort/K-Sort-Arena

Sparse Autoencoders Enable Scalable and Reliable Circuit Identification in Language Models

This paper introduces an efficient and robust method for discovering interpretable circuits in large language models using discrete sparse autoencoders. Our approach addresses key limitations of existing techniques, namely computational complexity and sensitivity to hyperparameters. We propose training sparse autoencoders on carefully designed positive and negative examples, where the model can only correctly predict the next token for the positive examples. We hypothesise that learned representations of attention head outputs will signal when a head is engaged in specific computations. By discretising the learned representations into integer codes and measuring the overlap between codes unique to positive examples for each head, we enable direct identification of attention heads involved in circuits without the need for expensive ablations or architectural modifications. On three well-studied tasks - indirect object identification, greater-than comparisons, and docstring completion - the proposed method achieves higher precision and recall in recovering ground-truth circuits compared to state-of-the-art baselines, while reducing runtime from hours to seconds. Notably, we require only 5-10 text examples for each task to learn robust representations. Our findings highlight the promise of discrete sparse autoencoders for scalable and efficient mechanistic interpretability, offering a new direction for analysing the inner workings of large language models.

Automatic Curriculum Expert Iteration for Reliable LLM Reasoning

Hallucinations (i.e., generating plausible but inaccurate content) and laziness (i.e. excessive refusals or defaulting to "I don't know") persist as major challenges in LLM reasoning. Current efforts to reduce hallucinations primarily focus on factual errors in knowledge-grounded tasks, often neglecting hallucinations related to faulty reasoning. Meanwhile, some approaches render LLMs overly conservative, limiting their problem-solving capabilities. To mitigate hallucination and laziness in reasoning tasks, we propose Automatic Curriculum Expert Iteration (Auto-CEI) to enhance LLM reasoning and align responses to the model's capabilities--assertively answering within its limits and declining when tasks exceed them. In our method, Expert Iteration explores the reasoning trajectories near the LLM policy, guiding incorrect paths back on track to reduce compounding errors and improve robustness; it also promotes appropriate "I don't know" responses after sufficient reasoning attempts. The curriculum automatically adjusts rewards, incentivizing extended reasoning before acknowledging incapability, thereby pushing the limits of LLM reasoning and aligning its behaviour with these limits. We compare Auto-CEI with various SOTA baselines across logical reasoning, mathematics, and planning tasks, where Auto-CEI achieves superior alignment by effectively balancing assertiveness and conservativeness.

Anywhere: A Multi-Agent Framework for Reliable and Diverse Foreground-Conditioned Image Inpainting

Recent advancements in image inpainting, particularly through diffusion modeling, have yielded promising outcomes. However, when tested in scenarios involving the completion of images based on the foreground objects, current methods that aim to inpaint an image in an end-to-end manner encounter challenges such as "over-imagination", inconsistency between foreground and background, and limited diversity. In response, we introduce Anywhere, a pioneering multi-agent framework designed to address these issues. Anywhere utilizes a sophisticated pipeline framework comprising various agents such as Visual Language Model (VLM), Large Language Model (LLM), and image generation models. This framework consists of three principal components: the prompt generation module, the image generation module, and the outcome analyzer. The prompt generation module conducts a semantic analysis of the input foreground image, leveraging VLM to predict relevant language descriptions and LLM to recommend optimal language prompts. In the image generation module, we employ a text-guided canny-to-image generation model to create a template image based on the edge map of the foreground image and language prompts, and an image refiner to produce the outcome by blending the input foreground and the template image. The outcome analyzer employs VLM to evaluate image content rationality, aesthetic score, and foreground-background relevance, triggering prompt and image regeneration as needed. Extensive experiments demonstrate that our Anywhere framework excels in foreground-conditioned image inpainting, mitigating "over-imagination", resolving foreground-background discrepancies, and enhancing diversity. It successfully elevates foreground-conditioned image inpainting to produce more reliable and diverse results.

Reprogramming under constraints: Revisiting efficient and reliable transferability of lottery tickets

In the era of foundation models with huge pre-training budgets, the downstream tasks have been shifted to the narrative of efficient and fast adaptation. For classification-based tasks in the domain of computer vision, the two most efficient approaches have been linear probing (LP) and visual prompting/reprogramming (VP); the former aims to learn a classifier in the form of a linear head on the features extracted by the pre-trained model, while the latter maps the input data to the domain of the source data on which the model was originally pre-trained on. Although extensive studies have demonstrated the differences between LP and VP in terms of downstream performance, we explore the capabilities of the two aforementioned methods via the sparsity axis: (a) Data sparsity: the impact of few-shot adaptation and (b) Model sparsity: the impact of lottery tickets (LT). We demonstrate that LT are not universal reprogrammers, i.e., for certain target datasets, reprogramming an LT yields significantly lower performance than the reprogrammed dense model although their corresponding upstream performance is similar. Further, we demonstrate that the calibration of dense models is always superior to that of their lottery ticket counterparts under both LP and VP regimes. Our empirical study opens a new avenue of research into VP for sparse models and encourages further understanding of the performance beyond the accuracy achieved by VP under constraints of sparsity. Code and logs can be accessed at https://github.com/landskape-ai/Reprogram_LT.

A Good Student is Cooperative and Reliable: CNN-Transformer Collaborative Learning for Semantic Segmentation

In this paper, we strive to answer the question "how to collaboratively learn convolutional neural network (CNN)-based and vision transformer (ViT)-based models by selecting and exchanging the reliable knowledge between them for semantic segmentation?" Accordingly, we propose an online knowledge distillation (KD) framework that can simultaneously learn compact yet effective CNN-based and ViT-based models with two key technical breakthroughs to take full advantage of CNNs and ViT while compensating their limitations. Firstly, we propose heterogeneous feature distillation (HFD) to improve students' consistency in low-layer feature space by mimicking heterogeneous features between CNNs and ViT. Secondly, to facilitate the two students to learn reliable knowledge from each other, we propose bidirectional selective distillation (BSD) that can dynamically transfer selective knowledge. This is achieved by 1) region-wise BSD determining the directions of knowledge transferred between the corresponding regions in the feature space and 2) pixel-wise BSD discerning which of the prediction knowledge to be transferred in the logit space. Extensive experiments on three benchmark datasets demonstrate that our proposed framework outperforms the state-of-the-art online distillation methods by a large margin, and shows its efficacy in learning collaboratively between ViT-based and CNN-based models.

AdaStop: sequential testing for efficient and reliable comparisons of Deep RL Agents

The reproducibility of many experimental results in Deep Reinforcement Learning (RL) is under question. To solve this reproducibility crisis, we propose a theoretically sound methodology to compare multiple Deep RL algorithms. The performance of one execution of a Deep RL algorithm is random so that independent executions are needed to assess it precisely. When comparing several RL algorithms, a major question is how many executions must be made and how can we assure that the results of such a comparison is theoretically sound. Researchers in Deep RL often use less than 5 independent executions to compare algorithms: we claim that this is not enough in general. Moreover, when comparing several algorithms at once, the error of each comparison accumulates and must be taken into account with a multiple tests procedure to preserve low error guarantees. To address this problem in a statistically sound way, we introduce AdaStop, a new statistical test based on multiple group sequential tests. When comparing algorithms, AdaStop adapts the number of executions to stop as early as possible while ensuring that we have enough information to distinguish algorithms that perform better than the others in a statistical significant way. We prove both theoretically and empirically that AdaStop has a low probability of making an error (Family-Wise Error). Finally, we illustrate the effectiveness of AdaStop in multiple use-cases, including toy examples and difficult cases such as Mujoco environments.

ReliableSwap: Boosting General Face Swapping Via Reliable Supervision

Almost all advanced face swapping approaches use reconstruction as the proxy task, i.e., supervision only exists when the target and source belong to the same person. Otherwise, lacking pixel-level supervision, these methods struggle for source identity preservation. This paper proposes to construct reliable supervision, dubbed cycle triplets, which serves as the image-level guidance when the source identity differs from the target one during training. Specifically, we use face reenactment and blending techniques to synthesize the swapped face from real images in advance, where the synthetic face preserves source identity and target attributes. However, there may be some artifacts in such a synthetic face. To avoid the potential artifacts and drive the distribution of the network output close to the natural one, we reversely take synthetic images as input while the real face as reliable supervision during the training stage of face swapping. Besides, we empirically find that the existing methods tend to lose lower-face details like face shape and mouth from the source. This paper additionally designs a FixerNet, providing discriminative embeddings of lower faces as an enhancement. Our face swapping framework, named ReliableSwap, can boost the performance of any existing face swapping network with negligible overhead. Extensive experiments demonstrate the efficacy of our ReliableSwap, especially in identity preservation. The project page is https://reliable-swap.github.io/.

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate system sizes. Here, we introduce a new variation of constrained DFT (CDFT), wherein the constraint corresponds to a particular transition (T), or combination of transitions, between occupied and virtual orbitals, rather than a region of the simulation space as in traditional CDFT. We compare T-CDFT with TDDFT and DeltaSCF results for the low lying excited states (S_{1} and T_{1}) of a set of gas phase acene molecules and OLED emitters, as well as with reference results from the literature. At the PBE level of theory, T-CDFT outperforms DeltaSCF for both classes of molecules, while also proving to be more robust. For the local excitations seen in the acenes, T-CDFT and TDDFT perform equally well. For the charge-transfer (CT)-like excitations seen in the OLED molecules, T-CDFT also performs well, in contrast to the severe energy underestimation seen with TDDFT. In other words, T-CDFT is equally applicable to both local excitations and CT states, providing more reliable excitation energies at a much lower computational cost than TDDFT. T-CDFT is designed for large systems and has been implemented in the linear scaling BigDFT code. It is therefore ideally suited for exploring the effects of explicit environments on excitation energies, paving the way for future simulations of excited states in complex realistic morphologies, such as those which occur in OLED materials.