Daily Papers

Despite the success of convolutional neural networks (CNNs) in many academic benchmarks for computer vision tasks, their application in the real-world is still facing fundamental challenges. One of these open problems is the inherent lack of robustness, unveiled by the striking effectiveness of adversarial attacks. Current attack methods are able to manipulate the network's prediction by adding specific but small amounts of noise to the input. In turn, adversarial training (AT) aims to achieve robustness against such attacks and ideally a better model generalization ability by including adversarial samples in the trainingset. However, an in-depth analysis of the resulting robust models beyond adversarial robustness is still pending. In this paper, we empirically analyze a variety of adversarially trained models that achieve high robust accuracies when facing state-of-the-art attacks and we show that AT has an interesting side-effect: it leads to models that are significantly less overconfident with their decisions, even on clean data than non-robust models. Further, our analysis of robust models shows that not only AT but also the model's building blocks (like activation functions and pooling) have a strong influence on the models' prediction confidences. Data & Project website: https://github.com/GeJulia/robustness_confidences_evaluation

Contrastive learning models based on Siamese structure have demonstrated remarkable performance in self-supervised learning. Such a success of contrastive learning relies on two conditions, a sufficient number of positive pairs and adequate variations between them. If the conditions are not met, these frameworks will lack semantic contrast and be fragile on overfitting. To address these two issues, we propose Hallucinator that could efficiently generate additional positive samples for further contrast. The Hallucinator is differentiable and creates new data in the feature space. Thus, it is optimized directly with the pre-training task and introduces nearly negligible computation. Moreover, we reduce the mutual information of hallucinated pairs and smooth them through non-linear operations. This process helps avoid over-confident contrastive learning models during the training and achieves more transformation-invariant feature embeddings. Remarkably, we empirically prove that the proposed Hallucinator generalizes well to various contrastive learning models, including MoCoV1&V2, SimCLR and SimSiam. Under the linear classification protocol, a stable accuracy gain is achieved, ranging from 0.3% to 3.0% on CIFAR10&100, Tiny ImageNet, STL-10 and ImageNet. The improvement is also observed in transferring pre-train encoders to the downstream tasks, including object detection and segmentation.

Neural networks trained on distilled data often produce over-confident output and require correction by calibration methods. Existing calibration methods such as temperature scaling and mixup work well for networks trained on original large-scale data. However, we find that these methods fail to calibrate networks trained on data distilled from large source datasets. In this paper, we show that distilled data lead to networks that are not calibratable due to (i) a more concentrated distribution of the maximum logits and (ii) the loss of information that is semantically meaningful but unrelated to classification tasks. To address this problem, we propose Masked Temperature Scaling (MTS) and Masked Distillation Training (MDT) which mitigate the limitations of distilled data and achieve better calibration results while maintaining the efficiency of dataset distillation.

The generalization and learning speed of a multi-class neural network can often be significantly improved by using soft targets that are a weighted average of the hard targets and the uniform distribution over labels. Smoothing the labels in this way prevents the network from becoming over-confident and label smoothing has been used in many state-of-the-art models, including image classification, language translation and speech recognition. Despite its widespread use, label smoothing is still poorly understood. Here we show empirically that in addition to improving generalization, label smoothing improves model calibration which can significantly improve beam-search. However, we also observe that if a teacher network is trained with label smoothing, knowledge distillation into a student network is much less effective. To explain these observations, we visualize how label smoothing changes the representations learned by the penultimate layer of the network. We show that label smoothing encourages the representations of training examples from the same class to group in tight clusters. This results in loss of information in the logits about resemblances between instances of different classes, which is necessary for distillation, but does not hurt generalization or calibration of the model's predictions.

For safety-related applications, it is crucial to produce trustworthy deep neural networks whose prediction is associated with confidence that can represent the likelihood of correctness for subsequent decision-making. Existing dense binary classification models are prone to being over-confident. To improve model calibration, we propose Adaptive Stochastic Label Perturbation (ASLP) which learns a unique label perturbation level for each training image. ASLP employs our proposed Self-Calibrating Binary Cross Entropy (SC-BCE) loss, which unifies label perturbation processes including stochastic approaches (like DisturbLabel), and label smoothing, to correct calibration while maintaining classification rates. ASLP follows Maximum Entropy Inference of classic statistical mechanics to maximise prediction entropy with respect to missing information. It performs this while: (1) preserving classification accuracy on known data as a conservative solution, or (2) specifically improves model calibration degree by minimising the gap between the prediction accuracy and expected confidence of the target training label. Extensive results demonstrate that ASLP can significantly improve calibration degrees of dense binary classification models on both in-distribution and out-of-distribution data. The code is available on https://github.com/Carlisle-Liu/ASLP.

Uncertainty estimation is a significant issue for current large language models (LLMs) that are generally poorly calibrated and over-confident, especially with reinforcement learning from human feedback (RLHF). Unlike humans, whose decisions and confidences not only stem from intrinsic beliefs but can also be adjusted through daily observations, existing calibration methods for LLMs focus on estimating or eliciting individual confidence without taking full advantage of the "Collective Wisdom": the interaction among multiple LLMs that can collectively improve both accuracy and calibration. In this work, we propose Collaborative Calibration, a post-hoc training-free calibration strategy that leverages the collaborative and expressive capabilities of multiple tool-augmented LLM agents in a simulated group deliberation process. We demonstrate the effectiveness of Collaborative Calibration on generative QA tasks across various domains, showing its potential in harnessing the rationalization of collectively calibrated confidence assessments and improving the reliability of model predictions.

Current question-answering benchmarks predominantly focus on accuracy in realizable prediction tasks. Conditioned on a question and answer-key, does the most likely token match the ground truth? Such benchmarks necessarily fail to evaluate LLMs' ability to quantify ground-truth outcome uncertainty. In this work, we focus on the use of LLMs as risk scores for unrealizable prediction tasks. We introduce folktexts, a software package to systematically generate risk scores using LLMs, and evaluate them against US Census data products. A flexible API enables the use of different prompting schemes, local or web-hosted models, and diverse census columns that can be used to compose custom prediction tasks. We evaluate 17 recent LLMs across five proposed benchmark tasks. We find that zero-shot risk scores produced by multiple-choice question-answering have high predictive signal but are widely miscalibrated. Base models consistently overestimate outcome uncertainty, while instruction-tuned models underestimate uncertainty and produce over-confident risk scores. In fact, instruction-tuning polarizes answer distribution regardless of true underlying data uncertainty. This reveals a general inability of instruction-tuned LLMs to express data uncertainty using multiple-choice answers. A separate experiment using verbalized chat-style risk queries yields substantially improved calibration across instruction-tuned models. These differences in ability to quantify data uncertainty cannot be revealed in realizable settings, and highlight a blind-spot in the current evaluation ecosystem that folktexts covers.

Though Transformers have achieved promising results in many computer vision tasks, they tend to be over-confident in predictions, as the standard Dot Product Self-Attention (DPSA) can barely preserve distance for the unbounded input domain. In this work, we fill this gap by proposing a novel Lipschitz Regularized Transformer (LRFormer). Specifically, we present a new similarity function with the distance within Banach Space to ensure the Lipschitzness and also regularize the term by a contractive Lipschitz Bound. The proposed method is analyzed with a theoretical guarantee, providing a rigorous basis for its effectiveness and reliability. Extensive experiments conducted on standard vision benchmarks demonstrate that our method outperforms the state-of-the-art single forward pass approaches in prediction, calibration, and uncertainty estimation.

The use of deep neural networks in real-world applications require well-calibrated networks with confidence scores that accurately reflect the actual probability. However, it has been found that these networks often provide over-confident predictions, which leads to poor calibration. Recent efforts have sought to address this issue by focal loss to reduce over-confidence, but this approach can also lead to under-confident predictions. While different variants of focal loss have been explored, it is difficult to find a balance between over-confidence and under-confidence. In our work, we propose a new loss function by focusing on dual logits. Our method not only considers the ground truth logit, but also take into account the highest logit ranked after the ground truth logit. By maximizing the gap between these two logits, our proposed dual focal loss can achieve a better balance between over-confidence and under-confidence. We provide theoretical evidence to support our approach and demonstrate its effectiveness through evaluations on multiple models and datasets, where it achieves state-of-the-art performance. Code is available at https://github.com/Linwei94/DualFocalLoss

Despite the growing demand for tuning foundation vision transformers (FViTs) on downstream tasks, fully unleashing FViTs' potential under data-limited scenarios (e.g., few-shot tuning) remains a challenge due to FViTs' data-hungry nature. Common data augmentation techniques fall short in this context due to the limited features contained in the few-shot tuning data. To tackle this challenge, we first identify an opportunity for FViTs in few-shot tuning: pretrained FViTs themselves have already learned highly representative features from large-scale pretraining data, which are fully preserved during widely used parameter-efficient tuning. We thus hypothesize that leveraging those learned features to augment the tuning data can boost the effectiveness of few-shot FViT tuning. To this end, we propose a framework called Hint-based Data Augmentation (Hint-Aug), which aims to boost FViT in few-shot tuning by augmenting the over-fitted parts of tuning samples with the learned features of pretrained FViTs. Specifically, Hint-Aug integrates two key enablers: (1) an Attentive Over-fitting Detector (AOD) to detect over-confident patches of foundation ViTs for potentially alleviating their over-fitting on the few-shot tuning data and (2) a Confusion-based Feature Infusion (CFI) module to infuse easy-to-confuse features from the pretrained FViTs with the over-confident patches detected by the above AOD in order to enhance the feature diversity during tuning. Extensive experiments and ablation studies on five datasets and three parameter-efficient tuning techniques consistently validate Hint-Aug's effectiveness: 0.04% ~ 32.91% higher accuracy over the state-of-the-art (SOTA) data augmentation method under various low-shot settings. For example, on the Pet dataset, Hint-Aug achieves a 2.22% higher accuracy with 50% less training data over SOTA data augmentation methods.

The partial label challenge in Multi-Label Class-Incremental Learning (MLCIL) arises when only the new classes are labeled during training, while past and future labels remain unavailable. This issue leads to a proliferation of false-positive errors due to erroneously high confidence multi-label predictions, exacerbating catastrophic forgetting within the disjoint label space. In this paper, we aim to refine multi-label confidence calibration in MLCIL and propose a Confidence Self-Calibration (CSC) approach. Firstly, for label relationship calibration, we introduce a class-incremental graph convolutional network that bridges the isolated label spaces by constructing learnable, dynamically extended label relationship graph. Then, for confidence calibration, we present a max-entropy regularization for each multi-label increment, facilitating confidence self-calibration through the penalization of over-confident output distributions. Our approach attains new state-of-the-art results in MLCIL tasks on both MS-COCO and PASCAL VOC datasets, with the calibration of label confidences confirmed through our methodology.

Though Large Language Models (LLMs) have demonstrated the powerful capabilities of few-shot learning through prompting methods, supervised training is still necessary for complex reasoning tasks. Because of their extensive parameters and memory consumption, both Parameter-Efficient Fine-Tuning (PEFT) methods and Memory-Efficient Fine-Tuning methods have been proposed for LLMs. Nevertheless, the issue of large annotated data consumption, the aim of Data-Efficient Fine-Tuning, remains unexplored. One obvious way is to combine the PEFT method with active learning. However, the experimental results show that such a combination is not trivial and yields inferior results. Through probe experiments, such observation might be explained by two main reasons: uncertainty gap and poor model calibration. Therefore, in this paper, we propose a novel approach to effectively integrate uncertainty-based active learning and LoRA. Specifically, for the uncertainty gap, we introduce a dynamic uncertainty measurement that combines the uncertainty of the base model and the uncertainty of the full model during the iteration of active learning. For poor model calibration, we incorporate the regularization method during LoRA training to keep the model from being over-confident, and the Monte-Carlo dropout mechanism is employed to enhance the uncertainty estimation. Experimental results show that the proposed approach outperforms existing baseline models on three complex reasoning tasks.

Natural language understanding (NLU) tasks face a non-trivial amount of ambiguous samples where veracity of their labels is debatable among annotators. NLU models should thus account for such ambiguity, but they approximate the human opinion distributions quite poorly and tend to produce over-confident predictions. To address this problem, we must consider how to exactly capture the degree of relationship between each sample and its candidate classes. In this work, we propose a novel method with deep model compression and show how such relationship can be accounted for. We see that more reasonably represented relationships can be discovered in the lower layers and that validation accuracies are converging at these layers, which naturally leads to layer pruning. We also see that distilling the relationship knowledge from a lower layer helps models produce better distribution. Experimental results demonstrate that our method makes substantial improvement on quantifying ambiguity without gold distribution labels. As positive side-effects, our method is found to reduce the model size significantly and improve latency, both attractive aspects of NLU products.

A fundamental challenge for machine learning models is how to generalize learned models for out-of-distribution (OOD) data. Among various approaches, exploiting invariant features by Domain Adversarial Training (DAT) received widespread attention. Despite its success, we observe training instability from DAT, mostly due to over-confident domain discriminator and environment label noise. To address this issue, we proposed Environment Label Smoothing (ELS), which encourages the discriminator to output soft probability, which thus reduces the confidence of the discriminator and alleviates the impact of noisy environment labels. We demonstrate, both experimentally and theoretically, that ELS can improve training stability, local convergence, and robustness to noisy environment labels. By incorporating ELS with DAT methods, we are able to yield state-of-art results on a wide range of domain generalization/adaptation tasks, particularly when the environment labels are highly noisy.

Recent language models have shown remarkable performance on natural language understanding (NLU) tasks. However, they are often sub-optimal when faced with ambiguous samples that can be interpreted in multiple ways, over-confidently predicting a single label without consideration for its correctness. To address this issue, we propose a novel self-knowledge distillation method that enables models to learn label distributions more accurately by leveraging knowledge distilled from their lower layers. This approach also includes a learning phase that re-calibrates the unnecessarily strengthened confidence for training samples judged as extremely ambiguous based on the distilled distribution knowledge. We validate our method on diverse NLU benchmark datasets and the experimental results demonstrate its effectiveness in producing better label distributions. Particularly, through the process of re-calibrating the confidence for highly ambiguous samples, the issue of over-confidence when predictions for unseen samples do not match with their ground-truth labels has been significantly alleviated. This has been shown to contribute to generating better distributions than the existing state-of-the-art method. Moreover, our method is more efficient in training the models compared to the existing method, as it does not involve additional training processes to refine label distributions.

Masked speech modeling (MSM) methods such as wav2vec2 or w2v-BERT learn representations over speech frames which are randomly masked within an utterance. While these methods improve performance of Automatic Speech Recognition (ASR) systems, they have one major limitation. They treat all unsupervised speech samples with equal weight, which hinders learning as not all samples have relevant information to learn meaningful representations. In this work, we address this limitation. We propose ask2mask (ATM), a novel approach to focus on specific samples during MSM pre-training. ATM employs an external ASR model or scorer to weight unsupervised input samples in two different ways: 1) A fine-grained data selection is performed by masking over the highly confident input frames as chosen by the scorer. This allows the model to learn meaningful representations. 2) ATM is further extended to focus at utterance-level by weighting the final MSM loss with the utterance-level confidence score. We conduct fine-tuning experiments on two well-benchmarked corpora: LibriSpeech (matching the pre-training data) and Commonvoice, TED-LIUM, AMI and CHiME-6 (not matching the pre-training data). The results substantiate the efficacy of ATM on significantly improving the recognition performance under mismatched conditions (up to 11.6\% relative over published results and upto 4.46\% relative over our internal baseline) while still yielding modest improvements under matched conditions.

Neural network pruning is an essential technique for reducing the size and complexity of deep neural networks, enabling large-scale models on devices with limited resources. However, existing pruning approaches heavily rely on training data for guiding the pruning strategies, making them ineffective for federated learning over distributed and confidential datasets. Additionally, the memory- and computation-intensive pruning process becomes infeasible for recourse-constrained devices in federated learning. To address these challenges, we propose FedTiny, a distributed pruning framework for federated learning that generates specialized tiny models for memory- and computing-constrained devices. We introduce two key modules in FedTiny to adaptively search coarse- and finer-pruned specialized models to fit deployment scenarios with sparse and cheap local computation. First, an adaptive batch normalization selection module is designed to mitigate biases in pruning caused by the heterogeneity of local data. Second, a lightweight progressive pruning module aims to finer prune the models under strict memory and computational budgets, allowing the pruning policy for each layer to be gradually determined rather than evaluating the overall model structure. The experimental results demonstrate the effectiveness of FedTiny, which outperforms state-of-the-art approaches, particularly when compressing deep models to extremely sparse tiny models. FedTiny achieves an accuracy improvement of 2.61% while significantly reducing the computational cost by 95.91% and the memory footprint by 94.01% compared to state-of-the-art methods.

Conditioning image generation facilitates seamless editing and the creation of photorealistic images. However, conditioning on noisy or Out-of-Distribution (OoD) images poses significant challenges, particularly in balancing fidelity to the input and realism of the output. We introduce Confident Ordinary Differential Editing (CODE), a novel approach for image synthesis that effectively handles OoD guidance images. Utilizing a diffusion model as a generative prior, CODE enhances images through score-based updates along the probability-flow Ordinary Differential Equation (ODE) trajectory. This method requires no task-specific training, no handcrafted modules, and no assumptions regarding the corruptions affecting the conditioning image. Our method is compatible with any diffusion model. Positioned at the intersection of conditional image generation and blind image restoration, CODE operates in a fully blind manner, relying solely on a pre-trained generative model. Our method introduces an alternative approach to blind restoration: instead of targeting a specific ground truth image based on assumptions about the underlying corruption, CODE aims to increase the likelihood of the input image while maintaining fidelity. This results in the most probable in-distribution image around the input. Our contributions are twofold. First, CODE introduces a novel editing method based on ODE, providing enhanced control, realism, and fidelity compared to its SDE-based counterpart. Second, we introduce a confidence interval-based clipping method, which improves CODE's effectiveness by allowing it to disregard certain pixels or information, thus enhancing the restoration process in a blind manner. Experimental results demonstrate CODE's effectiveness over existing methods, particularly in scenarios involving severe degradation or OoD inputs.

We consider the problem of Embodied Question Answering (EQA), which refers to settings where an embodied agent such as a robot needs to actively explore an environment to gather information until it is confident about the answer to a question. In this work, we leverage the strong semantic reasoning capabilities of large vision-language models (VLMs) to efficiently explore and answer such questions. However, there are two main challenges when using VLMs in EQA: they do not have an internal memory for mapping the scene to be able to plan how to explore over time, and their confidence can be miscalibrated and can cause the robot to prematurely stop exploration or over-explore. We propose a method that first builds a semantic map of the scene based on depth information and via visual prompting of a VLM - leveraging its vast knowledge of relevant regions of the scene for exploration. Next, we use conformal prediction to calibrate the VLM's question answering confidence, allowing the robot to know when to stop exploration - leading to a more calibrated and efficient exploration strategy. To test our framework in simulation, we also contribute a new EQA dataset with diverse, realistic human-robot scenarios and scenes built upon the Habitat-Matterport 3D Research Dataset (HM3D). Both simulated and real robot experiments show our proposed approach improves the performance and efficiency over baselines that do no leverage VLM for exploration or do not calibrate its confidence. Webpage with experiment videos and code: https://explore-eqa.github.io/

Large language models (LLMs) have shown high agreement with human raters across a variety of tasks, demonstrating potential to ease the challenges of human data collection. In computational social science (CSS), researchers are increasingly leveraging LLM annotations to complement slow and expensive human annotations. Still, guidelines for collecting and using LLM annotations, without compromising the validity of downstream conclusions, remain limited. We introduce Confidence-Driven Inference: a method that combines LLM annotations and LLM confidence indicators to strategically select which human annotations should be collected, with the goal of producing accurate statistical estimates and provably valid confidence intervals while reducing the number of human annotations needed. Our approach comes with safeguards against LLM annotations of poor quality, guaranteeing that the conclusions will be both valid and no less accurate than if we only relied on human annotations. We demonstrate the effectiveness of Confidence-Driven Inference over baselines in statistical estimation tasks across three CSS settings--text politeness, stance, and bias--reducing the needed number of human annotations by over 25% in each. Although we use CSS settings for demonstration, Confidence-Driven Inference can be used to estimate most standard quantities across a broad range of NLP problems.

Evaluating the accuracy of outputs generated by Large Language Models (LLMs) is especially important in the climate science and policy domain. We introduce the Expert Confidence in Climate Statements (ClimateX) dataset, a novel, curated, expert-labeled dataset consisting of 8094 climate statements collected from the latest Intergovernmental Panel on Climate Change (IPCC) reports, labeled with their associated confidence levels. Using this dataset, we show that recent LLMs can classify human expert confidence in climate-related statements, especially in a few-shot learning setting, but with limited (up to 47%) accuracy. Overall, models exhibit consistent and significant over-confidence on low and medium confidence statements. We highlight implications of our results for climate communication, LLMs evaluation strategies, and the use of LLMs in information retrieval systems.

Text classification tasks often encounter few shot scenarios with limited labeled data, and addressing data scarcity is crucial. Data augmentation with mixup has shown to be effective on various text classification tasks. However, most of the mixup methods do not consider the varying degree of learning difficulty in different stages of training and generate new samples with one hot labels, resulting in the model over confidence. In this paper, we propose a self evolution learning (SE) based mixup approach for data augmentation in text classification, which can generate more adaptive and model friendly pesudo samples for the model training. SE focuses on the variation of the model's learning ability. To alleviate the model confidence, we introduce a novel instance specific label smoothing approach, which linearly interpolates the model's output and one hot labels of the original samples to generate new soft for label mixing up. Through experimental analysis, in addition to improving classification accuracy, we demonstrate that SE also enhances the model's generalize ability.

Large language models (LLMs) have achieved significant advances in recent days. Extensive efforts have been made before the public release of LLMs to align their behaviors with human values. The primary goal of alignment is to ensure their helpfulness, honesty and harmlessness. However, even meticulously aligned LLMs remain vulnerable to malicious manipulations such as jailbreaking, leading to unintended behaviors. The jailbreak is to intentionally develop a malicious prompt that escapes from the LLM security restrictions to produce uncensored detrimental contents. Previous works explore different jailbreak methods for red teaming LLMs, yet they encounter challenges regarding to effectiveness and scalability. In this work, we propose Tastle, a novel black-box jailbreak framework for automated red teaming of LLMs. We designed malicious content concealing and memory reframing with an iterative optimization algorithm to jailbreak LLMs, motivated by the research about the distractibility and over-confidence phenomenon of LLMs. Extensive experiments of jailbreaking both open-source and proprietary LLMs demonstrate the superiority of our framework in terms of effectiveness, scalability and transferability. We also evaluate the effectiveness of existing jailbreak defense methods against our attack and highlight the crucial need to develop more effective and practical defense strategies.

There is a growing literature on reasoning by large language models (LLMs), but the discussion on the uncertainty in their responses is still lacking. Our aim is to assess the extent of confidence that LLMs have in their answers and how it correlates with accuracy. Confidence is measured (i) qualitatively in terms of persistence in keeping their answer when prompted to reconsider, and (ii) quantitatively in terms of self-reported confidence score. We investigate the performance of three LLMs -- GPT4o, GPT4-turbo and Mistral -- on two benchmark sets of questions on causal judgement and formal fallacies and a set of probability and statistical puzzles and paradoxes. Although the LLMs show significantly better performance than random guessing, there is a wide variability in their tendency to change their initial answers. There is a positive correlation between qualitative confidence and accuracy, but the overall accuracy for the second answer is often worse than for the first answer. There is a strong tendency to overstate the self-reported confidence score. Confidence is only partially explained by the underlying token-level probability. The material effects of prompting on qualitative confidence and the strong tendency for overconfidence indicate that current LLMs do not have any internally coherent sense of confidence.

The ability to judge whether a caption correctly describes an image is a critical part of vision-language understanding. However, state-of-the-art models often misinterpret the correctness of fine-grained details, leading to errors in outputs such as hallucinating objects in generated captions or poor compositional reasoning. In this work, we explore Token-Level Confidence, or TLC, as a simple yet surprisingly effective method to assess caption correctness. Specifically, we fine-tune a vision-language model on image captioning, input an image and proposed caption to the model, and aggregate either algebraic or learned token confidences over words or sequences to estimate image-caption consistency. Compared to sequence-level scores from pretrained models, TLC with algebraic confidence measures achieves a relative improvement in accuracy by 10% on verb understanding in SVO-Probes and outperforms prior state-of-the-art in image and group scores for compositional reasoning in Winoground by a relative 37% and 9%, respectively. When training data are available, a learned confidence estimator provides further improved performance, reducing object hallucination rates in MS COCO Captions by a relative 30% over the original model and setting a new state-of-the-art.

An increasing number of vision-language tasks can be handled with little to no training, i.e., in a zero and few-shot manner, by marrying large language models (LLMs) to vision encoders, resulting in large vision-language models (LVLMs). While this has huge upsides, such as not requiring training data or custom architectures, how an input is presented to a LVLM can have a major impact on zero-shot model performance. In particular, inputs phrased in an underspecified way can result in incorrect answers due to factors like missing visual information, complex implicit reasoning, or linguistic ambiguity. Therefore, adding visually grounded information to the input as a preemptive clarification should improve model performance by reducing underspecification, e.g., by localizing objects and disambiguating references. Similarly, in the VQA setting, changing the way questions are framed can make them easier for models to answer. To this end, we present Rephrase, Augment and Reason (RepARe), a gradient-free framework that extracts salient details about the image using the underlying LVLM as a captioner and reasoner, in order to propose modifications to the original question. We then use the LVLM's confidence over a generated answer as an unsupervised scoring function to select the rephrased question most likely to improve zero-shot performance. Focusing on two visual question answering tasks, we show that RepARe can result in a 3.85% (absolute) increase in zero-shot performance on VQAv2 and a 6.41% point increase on A-OKVQA. Additionally, we find that using gold answers for oracle question candidate selection achieves a substantial gain in VQA accuracy by up to 14.41%. Through extensive analysis, we demonstrate that outputs from RepARe increase syntactic complexity, and effectively utilize vision-language interaction and the frozen language model in LVLMs.

Conventional multi-label classification (MLC) methods assume that all samples are fully labeled and identically distributed. Unfortunately, this assumption is unrealistic in large-scale MLC data that has long-tailed (LT) distribution and partial labels (PL). To address the problem, we introduce a novel task, Partial labeling and Long-Tailed Multi-Label Classification (PLT-MLC), to jointly consider the above two imperfect learning environments. Not surprisingly, we find that most LT-MLC and PL-MLC approaches fail to solve the PLT-MLC, resulting in significant performance degradation on the two proposed PLT-MLC benchmarks. Therefore, we propose an end-to-end learning framework: COrrection rightarrow ModificatIon rightarrow balanCe, abbreviated as \method{}. Our bootstrapping philosophy is to simultaneously correct the missing labels (Correction) with convinced prediction confidence over a class-aware threshold and to learn from these recall labels during training. We next propose a novel multi-focal modifier loss that simultaneously addresses head-tail imbalance and positive-negative imbalance to adaptively modify the attention to different samples (Modification) under the LT class distribution. In addition, we develop a balanced training strategy by distilling the model's learning effect from head and tail samples, and thus design a balanced classifier (Balance) conditioned on the head and tail learning effect to maintain stable performance for all samples. Our experimental study shows that the proposed significantly outperforms general MLC, LT-MLC and PL-MLC methods in terms of effectiveness and robustness on our newly created PLT-MLC datasets.

Multi-source unsupervised domain adaptation (MUDA) is a framework to address the challenge of annotated data scarcity in a target domain via transferring knowledge from multiple annotated source domains. When the source domains are distributed, data privacy and security can become significant concerns and protocols may limit data sharing, yet existing MUDA methods overlook these constraints. We develop an algorithm to address MUDA when source domain data cannot be shared with the target or across the source domains. Our method is based on aligning the distributions of source and target domains indirectly via estimating the source feature embeddings and predicting over a confidence based combination of domain specific model predictions. We provide theoretical analysis to support our approach and conduct empirical experiments to demonstrate that our algorithm is effective.

Literature research, vital for scientific work, faces the challenge of the surging torrent of information in the vast ocean of literature exceeding researchers' processing capabilities. To address this issue, we present an automated review generation method based on Large Language Models (LLMs), aimed at overcoming efficiency bottlenecks in literature processing and reducing cognitive load. Our statistically validated evaluation framework demonstrates that the generated reviews match or exceed manual quality, offering broad applicability across research fields due to minimal domain knowledge requirements. In a case study on propane dehydrogenation (PDH) catalysts, our method swiftly analyzed 343 articles, averaging seconds per article per LLM account, producing comprehensive reviews spanning 35 topics. Extended analysis of 1041 articles provided deep insights into catalysts' composition, structure, and performance. Recognizing LLMs' hallucinations, we implemented a multi-layered quality control strategy, effectively mitigating risks and ensuring reliability, as quantitatively demonstrated through manual verification. Expert verification confirms the accuracy and citation integrity of generated reviews, demonstrating LLM hallucination risks reduced to below 0.5\% with over 95\% confidence. Released Windows application enables one-click review generation, aiding researchers in tracking advancements and recommending literature. This approach showcases LLMs' role in enhancing scientific research productivity and sets the stage for further exploration.

Large Language Models (LLMs) have been applied to build several automation and personalized question-answering prototypes so far. However, scaling such prototypes to robust products with minimized hallucinations or fake responses still remains an open challenge, especially in niche data-table heavy domains such as financial decision making. In this work, we present a novel Langchain-based framework that transforms data tables into hierarchical textual data chunks to enable a wide variety of actionable question answering. First, the user-queries are classified by intention followed by automated retrieval of the most relevant data chunks to generate customized LLM prompts per query. Next, the custom prompts and their responses undergo multi-metric scoring to assess for hallucinations and response confidence. The proposed system is optimized with user-query intention classification, advanced prompting, data scaling capabilities and it achieves over 90% confidence scores for a variety of user-queries responses ranging from {What, Where, Why, How, predict, trend, anomalies, exceptions} that are crucial for financial decision making applications. The proposed data to answers framework can be extended to other analytical domains such as sales and payroll to ensure optimal hallucination control guardrails.

In this paper, we investigate the problem of offline Preference-based Reinforcement Learning (PbRL) with human feedback where feedback is available in the form of preference between trajectory pairs rather than explicit rewards. Our proposed algorithm consists of two main steps: (1) estimate the implicit reward using Maximum Likelihood Estimation (MLE) with general function approximation from offline data and (2) solve a distributionally robust planning problem over a confidence set around the MLE. We consider the general reward setting where the reward can be defined over the whole trajectory and provide a novel guarantee that allows us to learn any target policy with a polynomial number of samples, as long as the target policy is covered by the offline data. This guarantee is the first of its kind with general function approximation. To measure the coverage of the target policy, we introduce a new single-policy concentrability coefficient, which can be upper bounded by the per-trajectory concentrability coefficient. We also establish lower bounds that highlight the necessity of such concentrability and the difference from standard RL, where state-action-wise rewards are directly observed. We further extend and analyze our algorithm when the feedback is given over action pairs.

Overfitting negatively impacts the generalization ability of deep neural networks (DNNs) in both natural and adversarial training. Existing methods struggle to consistently address different types of overfitting, typically designing strategies that focus separately on either natural or adversarial patterns. In this work, we adopt a unified perspective by solely focusing on natural patterns to explore different types of overfitting. Specifically, we examine the memorization effect in DNNs and reveal a shared behaviour termed over-memorization, which impairs their generalization capacity. This behaviour manifests as DNNs suddenly becoming high-confidence in predicting certain training patterns and retaining a persistent memory for them. Furthermore, when DNNs over-memorize an adversarial pattern, they tend to simultaneously exhibit high-confidence prediction for the corresponding natural pattern. These findings motivate us to holistically mitigate different types of overfitting by hindering the DNNs from over-memorization natural patterns. To this end, we propose a general framework, Distraction Over-Memorization (DOM), which explicitly prevents over-memorization by either removing or augmenting the high-confidence natural patterns. Extensive experiments demonstrate the effectiveness of our proposed method in mitigating overfitting across various training paradigms.

Widely deployed large language models (LLMs) can produce convincing yet incorrect outputs, potentially misleading users who may rely on them as if they were correct. To reduce such overreliance, there have been calls for LLMs to communicate their uncertainty to end users. However, there has been little empirical work examining how users perceive and act upon LLMs' expressions of uncertainty. We explore this question through a large-scale, pre-registered, human-subject experiment (N=404) in which participants answer medical questions with or without access to responses from a fictional LLM-infused search engine. Using both behavioral and self-reported measures, we examine how different natural language expressions of uncertainty impact participants' reliance, trust, and overall task performance. We find that first-person expressions (e.g., "I'm not sure, but...") decrease participants' confidence in the system and tendency to agree with the system's answers, while increasing participants' accuracy. An exploratory analysis suggests that this increase can be attributed to reduced (but not fully eliminated) overreliance on incorrect answers. While we observe similar effects for uncertainty expressed from a general perspective (e.g., "It's not clear, but..."), these effects are weaker and not statistically significant. Our findings suggest that using natural language expressions of uncertainty may be an effective approach for reducing overreliance on LLMs, but that the precise language used matters. This highlights the importance of user testing before deploying LLMs at scale.

Human intelligence involves metacognitive abilities like self-regulation, recognizing limitations, and seeking assistance only when needed. While LLM Agents excel in many domains, they often lack this awareness. Overconfident agents risk catastrophic failures, while those that seek help excessively hinder efficiency. A key challenge is enabling agents with a limited intervention budget C is to decide when to request assistance. In this paper, we propose an offline framework that trains a "helper" policy to request interventions, such as more powerful models or test-time compute, by combining LLM-based process reward models (PRMs) with tabular reinforcement learning. Using state transitions collected offline, we score optimal intervention timing with PRMs and train the helper model on these labeled trajectories. This offline approach significantly reduces costly intervention calls during training. Furthermore, the integration of PRMs with tabular RL enhances robustness to off-policy data while avoiding the inefficiencies of deep RL. We empirically find that our method delivers optimal helper behavior.

Large Language Models (LLMs) have acquired ubiquitous attention for their performances across diverse domains. Our study here searches through LLMs' cognitive abilities and confidence dynamics. We dive deep into understanding the alignment between their self-assessed confidence and actual performance. We exploit these models with diverse sets of questionnaires and real-world scenarios and extract how LLMs exhibit confidence in their responses. Our findings reveal intriguing instances where models demonstrate high confidence even when they answer incorrectly. This is reminiscent of the Dunning-Kruger effect observed in human psychology. In contrast, there are cases where models exhibit low confidence with correct answers revealing potential underestimation biases. Our results underscore the need for a deeper understanding of their cognitive processes. By examining the nuances of LLMs' self-assessment mechanism, this investigation provides noteworthy revelations that serve to advance the functionalities and broaden the potential applications of these formidable language models.

This paper presents a new methodology to alleviate the fundamental trade-off between accuracy and latency in spiking neural networks (SNNs). The approach involves decoding confidence information over time from the SNN outputs and using it to develop a decision-making agent that can dynamically determine when to terminate each inference. The proposed method, Dynamic Confidence, provides several significant benefits to SNNs. 1. It can effectively optimize latency dynamically at runtime, setting it apart from many existing low-latency SNN algorithms. Our experiments on CIFAR-10 and ImageNet datasets have demonstrated an average 40% speedup across eight different settings after applying Dynamic Confidence. 2. The decision-making agent in Dynamic Confidence is straightforward to construct and highly robust in parameter space, making it extremely easy to implement. 3. The proposed method enables visualizing the potential of any given SNN, which sets a target for current SNNs to approach. For instance, if an SNN can terminate at the most appropriate time point for each input sample, a ResNet-50 SNN can achieve an accuracy as high as 82.47% on ImageNet within just 4.71 time steps on average. Unlocking the potential of SNNs needs a highly-reliable decision-making agent to be constructed and fed with a high-quality estimation of ground truth. In this regard, Dynamic Confidence represents a meaningful step toward realizing the potential of SNNs.

Language models (LMs) should provide reliable confidence estimates to help users detect mistakes in their outputs and defer to human experts when necessary. Asking a language model to assess its confidence ("Score your confidence from 0-1.") is a natural way of evaluating its uncertainty. However, models struggle to provide absolute assessments of confidence (i.e. judging confidence in answering a question independent of other questions) and the coarse-grained scores they produce are not useful for evaluating the correctness of their answers. We propose relative confidence estimation, where we match up questions against each other and ask the model to make relative judgments of confidence ("Which question are you more confident in answering correctly?"). Treating each question as a "player" in a series of matchups against other questions and the model's preferences as match outcomes, we can use rank aggregation methods like Elo rating and Bradley-Terry to translate the model's confidence preferences into confidence scores. We evaluate relative confidence estimation against absolute confidence estimation and self-consistency confidence methods on five state-of-the-art LMs -- GPT-4, GPT-4o, Gemini 1.5 Pro, Claude 3.5 Sonnet, and Llama 3.1 405B -- across 14 challenging STEM, social science, and commonsense reasoning question answering tasks. Our results demonstrate that relative confidence estimation consistently provides more reliable confidence scores than absolute confidence estimation, with average gains of 3.5% in selective classification AUC over direct absolute confidence estimation methods and 1.7% over self-consistency approaches across all models and datasets.

Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, although they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called T-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities. The code is available at https://github.com/ambroiseodt/tsim.

Large language models (LLMs) can produce erroneous responses that sound fluent and convincing, raising the risk that users will rely on these responses as if they were correct. Mitigating such overreliance is a key challenge. Through a think-aloud study in which participants use an LLM-infused application to answer objective questions, we identify several features of LLM responses that shape users' reliance: explanations (supporting details for answers), inconsistencies in explanations, and sources. Through a large-scale, pre-registered, controlled experiment (N=308), we isolate and study the effects of these features on users' reliance, accuracy, and other measures. We find that the presence of explanations increases reliance on both correct and incorrect responses. However, we observe less reliance on incorrect responses when sources are provided or when explanations exhibit inconsistencies. We discuss the implications of these findings for fostering appropriate reliance on LLMs.

We show that a GPT-3 model can learn to express uncertainty about its own answers in natural language -- without use of model logits. When given a question, the model generates both an answer and a level of confidence (e.g. "90% confidence" or "high confidence"). These levels map to probabilities that are well calibrated. The model also remains moderately calibrated under distribution shift, and is sensitive to uncertainty in its own answers, rather than imitating human examples. To our knowledge, this is the first time a model has been shown to express calibrated uncertainty about its own answers in natural language. For testing calibration, we introduce the CalibratedMath suite of tasks. We compare the calibration of uncertainty expressed in words ("verbalized probability") to uncertainty extracted from model logits. Both kinds of uncertainty are capable of generalizing calibration under distribution shift. We also provide evidence that GPT-3's ability to generalize calibration depends on pre-trained latent representations that correlate with epistemic uncertainty over its answers.

Recent work have demonstrated that robustness (to "corruption") can be at odds with generalization. Adversarial training, for instance, aims to reduce the problematic susceptibility of modern neural networks to small data perturbations. Surprisingly, overfitting is a major concern in adversarial training despite being mostly absent in standard training. We provide here theoretical evidence for this peculiar "robust overfitting" phenomenon. Subsequently, we advance a novel distributionally robust loss function bridging robustness and generalization. We demonstrate both theoretically as well as empirically the loss to enjoy a certified level of robustness against two common types of corruption--data evasion and poisoning attacks--while ensuring guaranteed generalization. We show through careful numerical experiments that our resulting holistic robust (HR) training procedure yields SOTA performance. Finally, we indicate that HR training can be interpreted as a direct extension of adversarial training and comes with a negligible additional computational burden. A ready-to-use python library implementing our algorithm is available at https://github.com/RyanLucas3/HR_Neural_Networks.

In continual learning, many classifiers use softmax function to learn confidence. However, numerous studies have pointed out its inability to accurately determine confidence distributions for outliers, often referred to as epistemic uncertainty. This inherent limitation also curtails the accurate decisions for selecting what to forget and keep in previously trained confidence distributions over continual learning process. To address the issue, we revisit the effects of masking softmax function. While this method is both simple and prevalent in literature, its implication for retaining confidence distribution during continual learning, also known as stability, has been under-investigated. In this paper, we revisit the impact of softmax masking, and introduce a methodology to utilize its confidence preservation effects. In class- and task-incremental learning benchmarks with and without memory replay, our approach significantly increases stability while maintaining sufficiently large plasticity. In the end, our methodology shows better overall performance than state-of-the-art methods, particularly in the use with zero or small memory. This lays a simple and effective foundation of strongly stable replay-based continual learning.

Robust planning in interactive scenarios requires predicting the uncertain future to make risk-aware decisions. Unfortunately, due to long-tail safety-critical events, the risk is often under-estimated by finite-sampling approximations of probabilistic motion forecasts. This can lead to overconfident and unsafe robot behavior, even with robust planners. Instead of assuming full prediction coverage that robust planners require, we propose to make prediction itself risk-aware. We introduce a new prediction objective to learn a risk-biased distribution over trajectories, so that risk evaluation simplifies to an expected cost estimation under this biased distribution. This reduces the sample complexity of the risk estimation during online planning, which is needed for safe real-time performance. Evaluation results in a didactic simulation environment and on a real-world dataset demonstrate the effectiveness of our approach. The code and a demo are available.

Deep clustering has exhibited remarkable performance; however, the overconfidence problem, i.e., the estimated confidence for a sample belonging to a particular cluster greatly exceeds its actual prediction accuracy, has been overlooked in prior research. To tackle this critical issue, we pioneer the development of a calibrated deep clustering framework. Specifically, we propose a novel dual-head deep clustering pipeline that can effectively calibrate the estimated confidence and the actual accuracy. The calibration head adjusts the overconfident predictions of the clustering head using regularization methods, generating prediction confidence and pseudo-labels that match the model learning status. This calibration process also guides the clustering head in dynamically selecting reliable high-confidence samples for training. Additionally, we introduce an effective network initialization strategy that enhances both training speed and network robustness. Extensive experiments demonstrate the proposed calibrated deep clustering framework not only surpasses state-of-the-art deep clustering methods by approximately 10 times in terms of expected calibration error but also significantly outperforms them in terms of clustering accuracy.

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.

Deep neural networks are susceptible to generating overconfident yet erroneous predictions when presented with data beyond known concepts. This challenge underscores the importance of detecting out-of-distribution (OOD) samples in the open world. In this work, we propose a novel feature-space OOD detection score based on class-specific and class-agnostic information. Specifically, the approach utilizes Whitened Linear Discriminant Analysis to project features into two subspaces - the discriminative and residual subspaces - for which the in-distribution (ID) classes are maximally separated and closely clustered, respectively. The OOD score is then determined by combining the deviation from the input data to the ID pattern in both subspaces. The efficacy of our method, named WDiscOOD, is verified on the large-scale ImageNet-1k benchmark, with six OOD datasets that cover a variety of distribution shifts. WDiscOOD demonstrates superior performance on deep classifiers with diverse backbone architectures, including CNN and vision transformer. Furthermore, we also show that WDiscOOD more effectively detects novel concepts in representation spaces trained with contrastive objectives, including supervised contrastive loss and multi-modality contrastive loss.

Increasing test-time computation is a straightforward approach to enhancing the quality of responses in Large Language Models (LLMs). While Best-of-N sampling and Self-Consistency with majority voting are simple and effective, they require a fixed number of sampling responses for each query, regardless of its complexity. This could result in wasted computation for simpler questions and insufficient exploration for more challenging ones. In this work, we argue that model confidence of responses can be used for improving the efficiency of test-time scaling. Unfortunately, LLMs are known to be overconfident and provide unreliable confidence estimation. To address this limitation, we introduce Self-Calibration by distilling Self-Consistency-derived confidence into the model itself. This enables reliable confidence estimation at test time with one forward pass. We then design confidence-based efficient test-time scaling methods to handle queries of various difficulty, such as Early-Stopping for Best-of-N and Self-Consistency with calibrated confidence. Experiments on three LLMs across six datasets demonstrate the effectiveness of our approach. Specifically, applying confidence-based Early Stopping to Best-of-N improves MathQA accuracy from 81.0 to 83.6 with a sample budget of 16 responses, indicating the efficacy of confidence-based sampling strategy at inference time.

The leading AI companies are increasingly focused on building generalist AI agents -- systems that can autonomously plan, act, and pursue goals across almost all tasks that humans can perform. Despite how useful these systems might be, unchecked AI agency poses significant risks to public safety and security, ranging from misuse by malicious actors to a potentially irreversible loss of human control. We discuss how these risks arise from current AI training methods. Indeed, various scenarios and experiments have demonstrated the possibility of AI agents engaging in deception or pursuing goals that were not specified by human operators and that conflict with human interests, such as self-preservation. Following the precautionary principle, we see a strong need for safer, yet still useful, alternatives to the current agency-driven trajectory. Accordingly, we propose as a core building block for further advances the development of a non-agentic AI system that is trustworthy and safe by design, which we call Scientist AI. This system is designed to explain the world from observations, as opposed to taking actions in it to imitate or please humans. It comprises a world model that generates theories to explain data and a question-answering inference machine. Both components operate with an explicit notion of uncertainty to mitigate the risks of overconfident predictions. In light of these considerations, a Scientist AI could be used to assist human researchers in accelerating scientific progress, including in AI safety. In particular, our system can be employed as a guardrail against AI agents that might be created despite the risks involved. Ultimately, focusing on non-agentic AI may enable the benefits of AI innovation while avoiding the risks associated with the current trajectory. We hope these arguments will motivate researchers, developers, and policymakers to favor this safer path.

Current deep learning methods are regarded as favorable if they empirically perform well on dedicated test sets. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving data is investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten. However, comparison of individual methods is nevertheless performed in isolation from the real world by monitoring accumulated benchmark test set performance. The closed world assumption remains predominant, i.e. models are evaluated on data that is guaranteed to originate from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown and corrupted instances. In this work we critically survey the literature and argue that notable lessons from open set recognition, identifying unknown examples outside of the observed set, and the adjacent field of active learning, querying data to maximize the expected performance gain, are frequently overlooked in the deep learning era. Hence, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Finally, the established synergies are supported empirically, showing joint improvement in alleviating catastrophic forgetting, querying data, selecting task orders, while exhibiting robust open world application.

Recent self-rewarding large language models (LLM) have successfully applied LLM-as-a-Judge to iteratively improve the alignment performance without the need of human annotations for preference data. These methods commonly utilize the same LLM to act as both the policy model (which generates responses) and the reward model (which scores and ranks those responses). The ranked responses are then used as preference pairs to train the LLM via direct alignment technologies (e.g. DPO). However, it is noteworthy that throughout this process, there is no guarantee of accuracy in the rewarding and ranking, which is critical for ensuring accurate rewards and high-quality preference data. Empirical results from relatively small LLMs (e.g., 7B parameters) also indicate that improvements from self-rewarding may diminish after several iterations in certain situations, which we hypothesize is due to accumulated bias in the reward system. This bias can lead to unreliable preference data for training the LLM. To address this issue, we first formulate and analyze the generalized iterative preference fine-tuning framework for self-rewarding language model. We then introduce the regularization to this generalized framework to mitigate the overconfident preference labeling in the self-rewarding process. Based on this theoretical insight, we propose a Consistency Regularized sElf-rewarding lAnguage Model (CREAM) that leverages the rewarding consistency across different iterations to regularize the self-rewarding training, helping the model to learn from more reliable preference data. With this explicit regularization, our empirical results demonstrate the superiority of CREAM in improving both reward consistency and alignment performance. The code is publicly available at https://github.com/Raibows/CREAM.

The generality of pretrained large language models (LLMs) has prompted increasing interest in their use as in-context learning agents. To be successful, such agents must form beliefs about how to achieve their goals based on limited interaction with their environment, resulting in uncertainty about the best action to take at each step. In this paper, we study how LLM agents form and act on these beliefs by conducting experiments in controlled sequential decision-making tasks. To begin, we find that LLM agents are overconfident: They draw strong conclusions about what to do based on insufficient evidence, resulting in inadequately explorative behavior. We dig deeper into this phenomenon and show how it emerges from a collapse in the entropy of the action distribution implied by sampling from the LLM. We then demonstrate that existing token-level sampling techniques are by themselves insufficient to make the agent explore more. Motivated by this fact, we introduce Entropic Activation Steering (EAST), an activation steering method for in-context LLM agents. EAST computes a steering vector as an entropy-weighted combination of representations, and uses it to manipulate an LLM agent's uncertainty over actions by intervening on its activations during the forward pass. We show that EAST can reliably increase the entropy in an LLM agent's actions, causing more explorative behavior to emerge. Finally, EAST modifies the subjective uncertainty an LLM agent expresses, paving the way to interpreting and controlling how LLM agents represent uncertainty about their decisions.

Numerous crucial tasks in real-world decision-making rely on machine learning algorithms with calibrated uncertainty estimates. However, modern methods often yield overconfident and uncalibrated predictions. Various approaches involve training an ensemble of separate models to quantify the uncertainty related to the model itself, known as epistemic uncertainty. In an explicit implementation, the ensemble approach has high computational cost and high memory requirements. This particular challenge is evident in state-of-the-art neural networks such as transformers, where even a single network is already demanding in terms of compute and memory. Consequently, efforts are made to emulate the ensemble model without actually instantiating separate ensemble members, referred to as implicit ensembling. We introduce LoRA-Ensemble, a parameter-efficient deep ensemble method for self-attention networks, which is based on Low-Rank Adaptation (LoRA). Initially developed for efficient LLM fine-tuning, we extend LoRA to an implicit ensembling approach. By employing a single pre-trained self-attention network with weights shared across all members, we train member-specific low-rank matrices for the attention projections. Our method exhibits superior calibration compared to explicit ensembles and achieves similar or better accuracy across various prediction tasks and datasets.

Synthetic data (SIM) drawn from simulators have emerged as a popular alternative for training models where acquiring annotated real-world images is difficult. However, transferring models trained on synthetic images to real-world applications can be challenging due to appearance disparities. A commonly employed solution to counter this SIM2REAL gap is unsupervised domain adaptation, where models are trained using labeled SIM data and unlabeled REAL data. Mispredictions made by such SIM2REAL adapted models are often associated with miscalibration - stemming from overconfident predictions on real data. In this paper, we introduce AUGCAL, a simple training-time patch for unsupervised adaptation that improves SIM2REAL adapted models by - (1) reducing overall miscalibration, (2) reducing overconfidence in incorrect predictions and (3) improving confidence score reliability by better guiding misclassification detection - all while retaining or improving SIM2REAL performance. Given a base SIM2REAL adaptation algorithm, at training time, AUGCAL involves replacing vanilla SIM images with strongly augmented views (AUG intervention) and additionally optimizing for a training time calibration loss on augmented SIM predictions (CAL intervention). We motivate AUGCAL using a brief analytical justification of how to reduce miscalibration on unlabeled REAL data. Through our experiments, we empirically show the efficacy of AUGCAL across multiple adaptation methods, backbones, tasks and shifts.

Conventional wisdom suggests that neural network predictions tend to be unpredictable and overconfident when faced with out-of-distribution (OOD) inputs. Our work reassesses this assumption for neural networks with high-dimensional inputs. Rather than extrapolating in arbitrary ways, we observe that neural network predictions often tend towards a constant value as input data becomes increasingly OOD. Moreover, we find that this value often closely approximates the optimal constant solution (OCS), i.e., the prediction that minimizes the average loss over the training data without observing the input. We present results showing this phenomenon across 8 datasets with different distributional shifts (including CIFAR10-C and ImageNet-R, S), different loss functions (cross entropy, MSE, and Gaussian NLL), and different architectures (CNNs and transformers). Furthermore, we present an explanation for this behavior, which we first validate empirically and then study theoretically in a simplified setting involving deep homogeneous networks with ReLU activations. Finally, we show how one can leverage our insights in practice to enable risk-sensitive decision-making in the presence of OOD inputs.

Low-rank adaptation (LoRA) has emerged as a new paradigm for cost-efficient fine-tuning of large language models (LLMs). However, fine-tuned LLMs often become overconfident especially when fine-tuned on small datasets. Bayesian methods, with their inherent ability to estimate uncertainty, serve as potent tools to mitigate overconfidence and enhance calibration. In this work, we introduce Laplace-LoRA, which applies a Bayesian approach to the LoRA parameters. Specifically, Laplace-LoRA applies a Laplace approximation to the posterior over the LoRA parameters, considerably improving the calibration of fine-tuned LLMs.

Large vision-language models (LVLMs) hallucinate: certain context cues in an image may trigger the language module's overconfident and incorrect reasoning on abnormal or hypothetical objects. Though a few benchmarks have been developed to investigate LVLM hallucinations, they mainly rely on hand-crafted corner cases whose fail patterns may hardly generalize, and finetuning on them could undermine their validity. These motivate us to develop the first automatic benchmark generation approach, AUTOHALLUSION, that harnesses a few principal strategies to create diverse hallucination examples. It probes the language modules in LVLMs for context cues and uses them to synthesize images by: (1) adding objects abnormal to the context cues; (2) for two co-occurring objects, keeping one and excluding the other; or (3) removing objects closely tied to the context cues. It then generates image-based questions whose ground-truth answers contradict the language module's prior. A model has to overcome contextual biases and distractions to reach correct answers, while incorrect or inconsistent answers indicate hallucinations. AUTOHALLUSION enables us to create new benchmarks at the minimum cost and thus overcomes the fragility of hand-crafted benchmarks. It also reveals common failure patterns and reasons, providing key insights to detect, avoid, or control hallucinations. Comprehensive evaluations of top-tier LVLMs, e.g., GPT-4V(ision), Gemini Pro Vision, Claude 3, and LLaVA-1.5, show a 97.7% and 98.7% success rate of hallucination induction on synthetic and real-world datasets of AUTOHALLUSION, paving the way for a long battle against hallucinations.

Pruning deep neural networks is a widely used strategy to alleviate the computational burden in machine learning. Overwhelming empirical evidence suggests that pruned models retain very high accuracy even with a tiny fraction of parameters. However, relatively little work has gone into characterising the small pruned networks obtained, beyond a measure of their accuracy. In this paper, we use the sparse double descent approach to identify univocally and characterise pruned models associated with classification tasks. We observe empirically that, for a given task, iterative magnitude pruning (IMP) tends to converge to networks of comparable sizes even when starting from full networks with sizes ranging over orders of magnitude. We analyse the best pruned models in a controlled experimental setup and show that their number of parameters reflects task difficulty and that they are much better than full networks at capturing the true conditional probability distribution of the labels. On real data, we similarly observe that pruned models are less prone to overconfident predictions. Our results suggest that pruned models obtained via IMP not only have advantageous computational properties but also provide a better representation of uncertainty in learning.

In the domain of medical imaging, many supervised learning based methods for segmentation face several challenges such as high variability in annotations from multiple experts, paucity of labelled data and class imbalanced datasets. These issues may result in segmentations that lack the requisite precision for clinical analysis and can be misleadingly overconfident without associated uncertainty quantification. We propose the PULASki for biomedical image segmentation that accurately captures variability in expert annotations, even in small datasets. Our approach makes use of an improved loss function based on statistical distances in a conditional variational autoencoder structure (Probabilistic UNet), which improves learning of the conditional decoder compared to the standard cross-entropy particularly in class imbalanced problems. We analyse our method for two structurally different segmentation tasks (intracranial vessel and multiple sclerosis (MS) lesion) and compare our results to four well-established baselines in terms of quantitative metrics and qualitative output. Empirical results demonstrate the PULASKi method outperforms all baselines at the 5\% significance level. The generated segmentations are shown to be much more anatomically plausible than in the 2D case, particularly for the vessel task. Our method can also be applied to a wide range of multi-label segmentation tasks and and is useful for downstream tasks such as hemodynamic modelling (computational fluid dynamics and data assimilation), clinical decision making, and treatment planning.

Despite the impressive generalization capabilities of deep neural networks, they have been repeatedly shown to be overconfident when they are wrong. Fixing this issue is known as model calibration, and has consequently received much attention in the form of modified training schemes and post-training calibration procedures such as temperature scaling. While temperature scaling is frequently used because of its simplicity, it is often outperformed by modified training schemes. In this work, we identify a specific bottleneck for the performance of temperature scaling. We show that for empirical risk minimizers for a general set of distributions in which the supports of classes have overlaps, the performance of temperature scaling degrades with the amount of overlap between classes, and asymptotically becomes no better than random when there are a large number of classes. On the other hand, we prove that optimizing a modified form of the empirical risk induced by the Mixup data augmentation technique can in fact lead to reasonably good calibration performance, showing that training-time calibration may be necessary in some situations. We also verify that our theoretical results reflect practice by showing that Mixup significantly outperforms empirical risk minimization (with respect to multiple calibration metrics) on image classification benchmarks with class overlaps introduced in the form of label noise.

Determining whether inputs are out-of-distribution (OOD) is an essential building block for safely deploying machine learning models in the open world. However, previous methods relying on the softmax confidence score suffer from overconfident posterior distributions for OOD data. We propose a unified framework for OOD detection that uses an energy score. We show that energy scores better distinguish in- and out-of-distribution samples than the traditional approach using the softmax scores. Unlike softmax confidence scores, energy scores are theoretically aligned with the probability density of the inputs and are less susceptible to the overconfidence issue. Within this framework, energy can be flexibly used as a scoring function for any pre-trained neural classifier as well as a trainable cost function to shape the energy surface explicitly for OOD detection. On a CIFAR-10 pre-trained WideResNet, using the energy score reduces the average FPR (at TPR 95%) by 18.03% compared to the softmax confidence score. With energy-based training, our method outperforms the state-of-the-art on common benchmarks.

Calibrated uncertainty estimates in machine learning are crucial to many fields such as autonomous vehicles, medicine, and weather and climate forecasting. While there is extensive literature on uncertainty calibration for classification, the classification findings do not always translate to regression. As a result, modern models for predicting uncertainty in regression settings typically produce uncalibrated and overconfident estimates. To address these gaps, we present a calibration method for regression settings that does not assume a particular uncertainty distribution over the error: Calibrating Regression Uncertainty Distributions Empirically (CRUDE). CRUDE makes the weaker assumption that error distributions have a constant arbitrary shape across the output space, shifted by predicted mean and scaled by predicted standard deviation. We detail a theoretical connection between CRUDE and conformal inference. Across an extensive set of regression tasks, CRUDE demonstrates consistently sharper, better calibrated, and more accurate uncertainty estimates than state-of-the-art techniques.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

This paper aims to investigate representation learning for large scale visual place recognition, which consists of determining the location depicted in a query image by referring to a database of reference images. This is a challenging task due to the large-scale environmental changes that can occur over time (i.e., weather, illumination, season, traffic, occlusion). Progress is currently challenged by the lack of large databases with accurate ground truth. To address this challenge, we introduce GSV-Cities, a new image dataset providing the widest geographic coverage to date with highly accurate ground truth, covering more than 40 cities across all continents over a 14-year period. We subsequently explore the full potential of recent advances in deep metric learning to train networks specifically for place recognition, and evaluate how different loss functions influence performance. In addition, we show that performance of existing methods substantially improves when trained on GSV-Cities. Finally, we introduce a new fully convolutional aggregation layer that outperforms existing techniques, including GeM, NetVLAD and CosPlace, and establish a new state-of-the-art on large-scale benchmarks, such as Pittsburgh, Mapillary-SLS, SPED and Nordland. The dataset and code are available for research purposes at https://github.com/amaralibey/gsv-cities.

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.

Language model calibration refers to the alignment between the confidence of the model and the actual performance of its responses. While previous studies point out the overconfidence phenomenon in Large Language Models (LLMs) and show that LLMs trained with Reinforcement Learning from Human Feedback (RLHF) are overconfident with a more sharpened output probability, in this study, we reveal that RLHF tends to lead models to express verbalized overconfidence in their own responses. We investigate the underlying cause of this overconfidence and demonstrate that reward models used for Proximal Policy Optimization (PPO) exhibit inherent biases towards high-confidence scores regardless of the actual quality of responses. Building upon this insight, we propose two PPO variants: PPO-M: PPO with Calibrated Reward Modeling and PPO-C: PPO with Calibrated Reward Calculation. PPO-M integrates explicit confidence scores in reward model training, which calibrates reward models to better capture the alignment between response quality and verbalized confidence. PPO-C adjusts the reward score during PPO based on the difference between the current reward and the moving average of past rewards. Both PPO-M and PPO-C can be seamlessly integrated into the current PPO pipeline and do not require additional golden labels. We evaluate our methods on both Llama3-8B and Mistral-7B across six diverse datasets including multiple-choice and open-ended generation. Experiment results demonstrate that both of our methods can reduce calibration error and maintain performance comparable to standard PPO. We further show that they do not compromise model capabilities in open-ended conversation settings.

As Natural Language Processing (NLP) systems are increasingly employed in intricate social environments, a pressing query emerges: Can these NLP systems mirror human-esque collaborative intelligence, in a multi-agent society consisting of multiple large language models (LLMs)? This paper probes the collaboration mechanisms among contemporary NLP systems by melding practical experiments with theoretical insights. We fabricate four unique `societies' comprised of LLM agents, where each agent is characterized by a specific `trait' (easy-going or overconfident) and engages in collaboration with a distinct `thinking pattern' (debate or reflection). Evaluating these multi-agent societies on three benchmark datasets, we discern that LLM agents navigate tasks by leveraging diverse social behaviors, from active debates to introspective reflections. Notably, certain collaborative strategies only optimize efficiency (using fewer API tokens), but also outshine previous top-tier approaches. Moreover, our results further illustrate that LLM agents manifest human-like social behaviors, such as conformity or majority rule, mirroring foundational Social Psychology theories. In conclusion, we integrate insights from Social Psychology to contextualize the collaboration of LLM agents, inspiring further investigations into the collaboration mechanism for LLMs. We commit to sharing our code and datasets (already submitted in supplementary materials), hoping to catalyze further research in this promising avenue (All code and data are available at https://github.com/zjunlp/MachineSoM.).

Recent studies indicate that NLU models are prone to rely on shortcut features for prediction, without achieving true language understanding. As a result, these models fail to generalize to real-world out-of-distribution data. In this work, we show that the words in the NLU training set can be modeled as a long-tailed distribution. There are two findings: 1) NLU models have strong preference for features located at the head of the long-tailed distribution, and 2) Shortcut features are picked up during very early few iterations of the model training. These two observations are further employed to formulate a measurement which can quantify the shortcut degree of each training sample. Based on this shortcut measurement, we propose a shortcut mitigation framework LTGR, to suppress the model from making overconfident predictions for samples with large shortcut degree. Experimental results on three NLU benchmarks demonstrate that our long-tailed distribution explanation accurately reflects the shortcut learning behavior of NLU models. Experimental analysis further indicates that LTGR can improve the generalization accuracy on OOD data, while preserving the accuracy on in-distribution data.

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information or model fine-tuning, have become less suitable for LLMs, especially closed-source commercial APIs. This leads to a growing need to explore the untapped area of black-box approaches for LLM uncertainty estimation. To better break down the problem, we define a systematic framework with three components: prompting strategies for eliciting verbalized confidence, sampling methods for generating multiple responses, and aggregation techniques for computing consistency. We then benchmark these methods on two key tasks-confidence calibration and failure prediction-across five types of datasets (e.g., commonsense and arithmetic reasoning) and five widely-used LLMs including GPT-4 and LLaMA 2 Chat. Our analysis uncovers several key insights: 1) LLMs, when verbalizing their confidence, tend to be overconfident, potentially imitating human patterns of expressing confidence. 2) As model capability scales up, both calibration and failure prediction performance improve. 3) Employing our proposed strategies, such as human-inspired prompts, consistency among multiple responses, and better aggregation strategies can help mitigate this overconfidence from various perspectives. 4) Comparisons with white-box methods indicate that while white-box methods perform better, the gap is narrow, e.g., 0.522 to 0.605 in AUROC. Despite these advancements, none of these techniques consistently outperform others, and all investigated methods struggle in challenging tasks, such as those requiring professional knowledge, indicating significant scope for improvement. We believe this study can serve as a strong baseline and provide insights for eliciting confidence in black-box LLMs.

Contrastively trained text-image models have the remarkable ability to perform zero-shot classification, that is, classifying previously unseen images into categories that the model has never been explicitly trained to identify. However, these zero-shot classifiers need prompt engineering to achieve high accuracy. Prompt engineering typically requires hand-crafting a set of prompts for individual downstream tasks. In this work, we aim to automate this prompt engineering and improve zero-shot accuracy through prompt ensembling. In particular, we ask "Given a large pool of prompts, can we automatically score the prompts and ensemble those that are most suitable for a particular downstream dataset, without needing access to labeled validation data?". We demonstrate that this is possible. In doing so, we identify several pathologies in a naive prompt scoring method where the score can be easily overconfident due to biases in pre-training and test data, and we propose a novel prompt scoring method that corrects for the biases. Using our proposed scoring method to create a weighted average prompt ensemble, our method outperforms equal average ensemble, as well as hand-crafted prompts, on ImageNet, 4 of its variants, and 11 fine-grained classification benchmarks, all while being fully automatic, optimization-free, and not requiring access to labeled validation data.

Knowledge hallucination have raised widespread concerns for the security and reliability of deployed LLMs. Previous efforts in detecting hallucinations have been employed at logit-level uncertainty estimation or language-level self-consistency evaluation, where the semantic information is inevitably lost during the token-decoding procedure. Thus, we propose to explore the dense semantic information retained within LLMs' INternal States for hallucInation DEtection (INSIDE). In particular, a simple yet effective EigenScore metric is proposed to better evaluate responses' self-consistency, which exploits the eigenvalues of responses' covariance matrix to measure the semantic consistency/diversity in the dense embedding space. Furthermore, from the perspective of self-consistent hallucination detection, a test time feature clipping approach is explored to truncate extreme activations in the internal states, which reduces overconfident generations and potentially benefits the detection of overconfident hallucinations. Extensive experiments and ablation studies are performed on several popular LLMs and question-answering (QA) benchmarks, showing the effectiveness of our proposal.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Large language models (LLMs) show impressive capabilities, matching and sometimes exceeding human performance in many domains. This study explores the potential of LLMs to augment judgement in forecasting tasks. We evaluated the impact on forecasting accuracy of two GPT-4-Turbo assistants: one designed to provide high-quality advice ('superforecasting'), and the other designed to be overconfident and base-rate-neglecting. Participants (N = 991) had the option to consult their assigned LLM assistant throughout the study, in contrast to a control group that used a less advanced model (DaVinci-003) without direct forecasting support. Our preregistered analyses reveal that LLM augmentation significantly enhances forecasting accuracy by 23% across both types of assistants, compared to the control group. This improvement occurs despite the superforecasting assistant's higher accuracy in predictions, indicating the augmentation's benefit is not solely due to model prediction accuracy. Exploratory analyses showed a pronounced effect in one forecasting item, without which we find that the superforecasting assistant increased accuracy by 43%, compared with 28% for the biased assistant. We further examine whether LLM augmentation disproportionately benefits less skilled forecasters, degrades the wisdom-of-the-crowd by reducing prediction diversity, or varies in effectiveness with question difficulty. Our findings do not consistently support these hypotheses. Our results suggest that access to an LLM assistant, even a biased one, can be a helpful decision aid in cognitively demanding tasks where the answer is not known at the time of interaction.

Unsupervised domain adaptation (UDA) has proven to be highly effective in transferring knowledge from a label-rich source domain to a label-scarce target domain. However, the presence of additional novel categories in the target domain has led to the development of open-set domain adaptation (ODA) and universal domain adaptation (UNDA). Existing ODA and UNDA methods treat all novel categories as a single, unified unknown class and attempt to detect it during training. However, we found that domain variance can lead to more significant view-noise in unsupervised data augmentation, which affects the effectiveness of contrastive learning (CL) and causes the model to be overconfident in novel category discovery. To address these issues, a framework named Soft-contrastive All-in-one Network (SAN) is proposed for ODA and UNDA tasks. SAN includes a novel data-augmentation-based soft contrastive learning (SCL) loss to fine-tune the backbone for feature transfer and a more human-intuitive classifier to improve new class discovery capability. The SCL loss weakens the adverse effects of the data augmentation view-noise problem which is amplified in domain transfer tasks. The All-in-One (AIO) classifier overcomes the overconfidence problem of current mainstream closed-set and open-set classifiers. Visualization and ablation experiments demonstrate the effectiveness of the proposed innovations. Furthermore, extensive experiment results on ODA and UNDA show that SAN outperforms existing state-of-the-art methods.

The recent success of Large Language Models (LLMs) has catalyzed an increasing interest in their self-correction capabilities. This paper presents a comprehensive investigation into the intrinsic self-correction of LLMs, attempting to address the ongoing debate about its feasibility. Our research has identified an important latent factor - the "confidence" of LLMs - during the self-correction process. Overlooking this factor may cause the models to over-criticize themselves, resulting in unreliable conclusions regarding the efficacy of self-correction. We have experimentally observed that LLMs possess the capability to understand the "confidence" in their own responses. It motivates us to develop an "If-or-Else" (IoE) prompting framework, designed to guide LLMs in assessing their own "confidence", facilitating intrinsic self-corrections. We conduct extensive experiments and demonstrate that our IoE-based Prompt can achieve a consistent improvement regarding the accuracy of self-corrected responses over the initial answers. Our study not only sheds light on the underlying factors affecting self-correction in LLMs, but also introduces a practical framework that utilizes the IoE prompting principle to efficiently improve self-correction capabilities with "confidence". The code is available at https://github.com/MBZUAI-CLeaR/IoE-Prompting.git.

Multi-agent debates have been introduced to improve the accuracy of Large Language Models (LLMs) by having multiple agents discuss solutions to a problem over several rounds of debate. However, models often generate incorrect yet confident-sounding responses, which can mislead others. This issue arises partly because agents do not consider how confident their peers are. To address this, we propose DebUnc, a debate framework that uses uncertainty metrics to assess agent confidence. Confidence is then conveyed through a modified attention mechanism that adjusts token weights, or through textual prompts. Evaluations across benchmarks show that attention-based methods are particularly effective and that performance continues to improve as uncertainty estimation becomes more reliable. The code is available at https://github.com/lukeyoffe/debunc.

Multimodal machine learning has achieved remarkable progress in a wide range of scenarios. However, the reliability of multimodal learning remains largely unexplored. In this paper, through extensive empirical studies, we identify current multimodal classification methods suffer from unreliable predictive confidence that tend to rely on partial modalities when estimating confidence. Specifically, we find that the confidence estimated by current models could even increase when some modalities are corrupted. To address the issue, we introduce an intuitive principle for multimodal learning, i.e., the confidence should not increase when one modality is removed. Accordingly, we propose a novel regularization technique, i.e., Calibrating Multimodal Learning (CML) regularization, to calibrate the predictive confidence of previous methods. This technique could be flexibly equipped by existing models and improve the performance in terms of confidence calibration, classification accuracy, and model robustness.

The quantitative prediction of the intensity of rainfall events (light or heavy) has remained a challenge in Numerical Weather Prediction (NWP) models. For the first time the mean coefficient of diffusional growth rates are calculated using an Eulerian-Lagrangian particle-based small-scale model on in situ airborne measurement data of Cloud Aerosol Interaction and Precipitation Enhancement Experiment (CAIPEEX) during monsoon over Indian sub-continent. The results show that diffusional growth rates varies in the range of 0.00025 - 0.0015(cm/s). The generic problem of the overestimation of light rain in NWP models might be related with the choice of cm in the model. It is also shown from DNS experiment using Eulerian-Lagrangian particle-based small-scale model that the relative dispersion is constrained with average values in the range of ~ 0.2 - 0.37 (~ 0.1- 0.26) in less humid (more humid) conditions. This is in agreement with in situ airborne observation (dispersion ~ 0.36) and previous study over Indian sub-continent. The linear relationship between relative dispersion and cloud droplet number concentration (NC) is obtained from this study using CAIPEEX observation over Indian subcontinent. The dispersion based autoconversion-scheme for Indian region must be useful for the Indian summer monsoon precipitation calculation in the general circulation model. The present study also provide valuable guidance for the parameterization of effective radius, important for radiation scheme.

In this work, we present a comprehensive three-phase study to examine (1) the effectiveness of large multimodal models (LMMs) in recognizing cultural contexts; (2) the accuracy of their representations of diverse cultures; and (3) their ability to adapt content across cultural boundaries. We first introduce Dalle Street, a large-scale dataset generated by DALL-E 3 and validated by humans, containing 9,935 images of 67 countries and 10 concept classes. We reveal disparities in cultural understanding at the sub-region level with both open-weight (LLaVA) and closed-source (GPT-4V) models on Dalle Street and other existing benchmarks. Next, we assess models' deeper culture understanding by an artifact extraction task and identify over 18,000 artifacts associated with different countries. Finally, we propose a highly composable pipeline, CultureAdapt, to adapt images from culture to culture. Our findings reveal a nuanced picture of the cultural competence of LMMs, highlighting the need to develop culture-aware systems. Dataset and code are available at https://github.com/iamshnoo/crossroads

Large language models (LLMs) are useful in many NLP tasks and become more capable with size, with the best open-source models having over 50 billion parameters. However, using these 50B+ models requires high-end hardware, making them inaccessible to most researchers. In this work, we investigate methods for cost-efficient inference and fine-tuning of LLMs, comparing local and distributed strategies. We observe that a large enough model (50B+) can run efficiently even on geodistributed devices in a consumer-grade network. This could allow running LLM efficiently by pooling together idle compute resources of multiple research groups and volunteers. We address two open problems: (1) how to perform inference and fine-tuning reliably if any device can disconnect abruptly and (2) how to partition LLMs between devices with uneven hardware, joining and leaving at will. In order to do that, we develop special fault-tolerant inference algorithms and load-balancing protocols that automatically assign devices to maximize the total system throughput. We showcase these algorithms in Petals - a decentralized system that runs Llama 2 (70B) and BLOOM (176B) over the Internet up to 10x faster than offloading for interactive generation. We evaluate the performance of our system in simulated conditions and a real-world setup spanning two continents.

Tokenization is a fundamental component of large language models (LLMs), yet its influence on model scaling and performance is not fully explored. In this paper, we introduce Over-Tokenized Transformers, a novel framework that decouples input and output vocabularies to improve language modeling performance. Specifically, our approach scales up input vocabularies to leverage multi-gram tokens. Through extensive experiments, we uncover a log-linear relationship between input vocabulary size and training loss, demonstrating that larger input vocabularies consistently enhance model performance, regardless of model size. Using a large input vocabulary, we achieve performance comparable to double-sized baselines with no additional cost. Our findings highlight the importance of tokenization in scaling laws and provide practical insight for tokenizer design, paving the way for more efficient and powerful LLMs.

Over-the-air federated learning (OTA-FL) provides bandwidth-efficient learning by leveraging the inherent superposition property of wireless channels. Personalized federated learning balances performance for users with diverse datasets, addressing real-life data heterogeneity. We propose the first personalized OTA-FL scheme through multi-task learning, assisted by personal reconfigurable intelligent surfaces (RIS) for each user. We take a cross-layer approach that optimizes communication and computation resources for global and personalized tasks in time-varying channels with imperfect channel state information, using multi-task learning for non-i.i.d data. Our PROAR-PFed algorithm adaptively designs power, local iterations, and RIS configurations. We present convergence analysis for non-convex objectives and demonstrate that PROAR-PFed outperforms state-of-the-art on the Fashion-MNIST dataset.

Simultaneous speech translation (SimulST) systems aim at generating their output with the lowest possible latency, which is normally computed in terms of Average Lagging (AL). In this paper we highlight that, despite its widespread adoption, AL provides underestimated scores for systems that generate longer predictions compared to the corresponding references. We also show that this problem has practical relevance, as recent SimulST systems have indeed a tendency to over-generate. As a solution, we propose LAAL (Length-Adaptive Average Lagging), a modified version of the metric that takes into account the over-generation phenomenon and allows for unbiased evaluation of both under-/over-generating systems.

With the evolution of 5G wireless communications, the Synchronization Signal Block (SSB) plays a critical role in the synchronization of devices and accessibility of services. However, due to the predictable nature of SSB transmission, including the Primary and Secondary Synchronization Signals (PSS and SSS), jamming attacks are critical threats. By leveraging RF domain knowledge, this work presents a novel deep learning-based technique for detecting jammers in 5G networks. Unlike the existing jamming detection algorithms that mostly rely on network parameters, we introduce a double threshold deep learning jamming detector by focusing on the SSB. The detection method is focused on RF domain features and improves the robustness of the network without requiring integration with the pre-existing network infrastructure. By integrating a preprocessing block that extracts PSS correlation and energy per null resource elements (EPNRE) characteristics, our method distinguishes between normal and jammed received signals with high precision. Additionally, by incorporation of Discrete Wavelet Transform (DWT), the efficacy of training and detection are optimized. A double threshold double Deep Neural Network (DT-DDNN) is also introduced to the architecture complemented by a deep cascade learning model to increase the sensitivity of the model to variations of signal to jamming noise ratio (SJNR). Results show that the proposed method achieves 96.4% detection rate in extra low jamming power, i.e., SJNR between 15 to 30 dB which outperforms the single threshold DNN design with 86.0% detection rate and unprocessed IQ sample DNN design with 83.2% detection rate. Ultimately, performance of DT-DDNN is validated through the analysis of real 5G signals obtained from a practical testbed, demonstrating a strong alignment with the simulation results.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

The release of ChatGPT in November 2022 sparked an explosion of interest in post-training and an avalanche of new preference optimization (PO) methods. These methods claim superior alignment by virtue of better correspondence with human pairwise preferences, often measured by LLM judges. In this work, we attempt to answer the following question -- do LLM-judge preferences translate to progress on other, more concrete metrics for alignment, and if not, why not? We define a concrete metric for alignment, and introduce SOS-Bench, the largest standardized, reproducible LLM meta-benchmark to date. We find that (1) LLM-judgments do not correlate with concrete measures of safety, world knowledge, and instruction following; (2) LLM judges have powerful implicit biases, prioritizing style over factuality and safety; and (3) the supervised fine-tuning (SFT) stage of post-training, and not the PO stage, has the greatest impact on alignment, with data scaling and prompt diversity as the driving factors. Our codebase and complete results can be found at https://github.com/penfever/sos-bench.

Reasoning over knowledge graphs (KGs) is a challenging task that requires a deep understanding of the complex relationships between entities and the underlying logic of their relations. Current approaches rely on learning geometries to embed entities in vector space for logical query operations, but they suffer from subpar performance on complex queries and dataset-specific representations. In this paper, we propose a novel decoupled approach, Language-guided Abstract Reasoning over Knowledge graphs (LARK), that formulates complex KG reasoning as a combination of contextual KG search and logical query reasoning, to leverage the strengths of graph extraction algorithms and large language models (LLM), respectively. Our experiments demonstrate that the proposed approach outperforms state-of-the-art KG reasoning methods on standard benchmark datasets across several logical query constructs, with significant performance gain for queries of higher complexity. Furthermore, we show that the performance of our approach improves proportionally to the increase in size of the underlying LLM, enabling the integration of the latest advancements in LLMs for logical reasoning over KGs. Our work presents a new direction for addressing the challenges of complex KG reasoning and paves the way for future research in this area.

Pre-trained language models (PLMs) have shown their effectiveness in multiple scenarios. However, KBQA remains challenging, especially regarding coverage and generalization settings. This is due to two main factors: i) understanding the semantics of both questions and relevant knowledge from the KB; ii) generating executable logical forms with both semantic and syntactic correctness. In this paper, we present a new KBQA model, TIARA, which addresses those issues by applying multi-grained retrieval to help the PLM focus on the most relevant KB contexts, viz., entities, exemplary logical forms, and schema items. Moreover, constrained decoding is used to control the output space and reduce generation errors. Experiments over important benchmarks demonstrate the effectiveness of our approach. TIARA outperforms previous SOTA, including those using PLMs or oracle entity annotations, by at least 4.1 and 1.1 F1 points on GrailQA and WebQuestionsSP, respectively.

A key component of successfully reading a passage of text is the ability to apply knowledge gained from the passage to a new situation. In order to facilitate progress on this kind of reading, we present ROPES, a challenging benchmark for reading comprehension targeting Reasoning Over Paragraph Effects in Situations. We target expository language describing causes and effects (e.g., "animal pollinators increase efficiency of fertilization in flowers"), as they have clear implications for new situations. A system is presented a background passage containing at least one of these relations, a novel situation that uses this background, and questions that require reasoning about effects of the relationships in the background passage in the context of the situation. We collect background passages from science textbooks and Wikipedia that contain such phenomena, and ask crowd workers to author situations, questions, and answers, resulting in a 14,322 question dataset. We analyze the challenges of this task and evaluate the performance of state-of-the-art reading comprehension models. The best model performs only slightly better than randomly guessing an answer of the correct type, at 61.6% F1, well below the human performance of 89.0%.

This paper rigorously shows how over-parameterization changes the convergence behaviors of gradient descent (GD) for the matrix sensing problem, where the goal is to recover an unknown low-rank ground-truth matrix from near-isotropic linear measurements. First, we consider the symmetric setting with the symmetric parameterization where M^* in R^{n times n} is a positive semi-definite unknown matrix of rank r ll n, and one uses a symmetric parameterization XX^top to learn M^*. Here X in R^{n times k} with k > r is the factor matrix. We give a novel Omega (1/T^2) lower bound of randomly initialized GD for the over-parameterized case (k >r) where T is the number of iterations. This is in stark contrast to the exact-parameterization scenario (k=r) where the convergence rate is exp (-Omega (T)). Next, we study asymmetric setting where M^* in R^{n_1 times n_2} is the unknown matrix of rank r ll min{n_1,n_2}, and one uses an asymmetric parameterization FG^top to learn M^* where F in R^{n_1 times k} and G in R^{n_2 times k}. Building on prior work, we give a global exact convergence result of randomly initialized GD for the exact-parameterization case (k=r) with an exp (-Omega(T)) rate. Furthermore, we give the first global exact convergence result for the over-parameterization case (k>r) with an exp(-Omega(alpha^2 T)) rate where alpha is the initialization scale. This linear convergence result in the over-parameterization case is especially significant because one can apply the asymmetric parameterization to the symmetric setting to speed up from Omega (1/T^2) to linear convergence. On the other hand, we propose a novel method that only modifies one step of GD and obtains a convergence rate independent of alpha, recovering the rate in the exact-parameterization case.

Molecular Representation Learning (MRL) has proven impactful in numerous biochemical applications such as drug discovery and enzyme design. While Graph Neural Networks (GNNs) are effective at learning molecular representations from a 2D molecular graph or a single 3D structure, existing works often overlook the flexible nature of molecules, which continuously interconvert across conformations via chemical bond rotations and minor vibrational perturbations. To better account for molecular flexibility, some recent works formulate MRL as an ensemble learning problem, focusing on explicitly learning from a set of conformer structures. However, most of these studies have limited datasets, tasks, and models. In this work, we introduce the first MoleculAR Conformer Ensemble Learning (MARCEL) benchmark to thoroughly evaluate the potential of learning on conformer ensembles and suggest promising research directions. MARCEL includes four datasets covering diverse molecule- and reaction-level properties of chemically diverse molecules including organocatalysts and transition-metal catalysts, extending beyond the scope of common GNN benchmarks that are confined to drug-like molecules. In addition, we conduct a comprehensive empirical study, which benchmarks representative 1D, 2D, and 3D molecular representation learning models, along with two strategies that explicitly incorporate conformer ensembles into 3D MRL models. Our findings reveal that direct learning from an accessible conformer space can improve performance on a variety of tasks and models.

Large Language Models (LLMs) have led to significant improvements in many tasks across various domains, such as code interpretation, response generation, and ambiguity handling. These LLMs, however, when upgrading, primarily prioritize enhancing user experience while neglecting security, privacy, and safety implications. Consequently, unintended vulnerabilities or biases can be introduced. Previous studies have predominantly focused on specific versions of the models and disregard the potential emergence of new attack vectors targeting the updated versions. Through the lens of adversarial examples within the in-context learning framework, this longitudinal study addresses this gap by conducting a comprehensive assessment of the robustness of successive versions of LLMs, vis-\`a-vis GPT-3.5. We conduct extensive experiments to analyze and understand the impact of the robustness in two distinct learning categories: zero-shot learning and few-shot learning. Our findings indicate that, in comparison to earlier versions of LLMs, the updated versions do not exhibit the anticipated level of robustness against adversarial attacks. In addition, our study emphasizes the increased effectiveness of synergized adversarial queries in most zero-shot learning and few-shot learning cases. We hope that our study can lead to a more refined assessment of the robustness of LLMs over time and provide valuable insights of these models for both developers and users.

As large language models (LLMs) continue to advance, accurately and comprehensively evaluating their performance becomes increasingly challenging. Human evaluations are conventionally considered the gold standard in natural language generation, but recent advancements incorporate state-of-the-art LLMs as proxies for human judges in evaluation processes. However, the extent to which humans and LLMs are capable evaluators remains uncertain. This study investigates the behavior of crowd-sourced and expert annotators, as well as LLMs, when comparing outputs from different models. To achieve this, we curate a dataset of intentionally flawed machine-generated answers. Our findings reveal a concerning bias in the evaluation process, as answers with factual errors are rated more favorably than answers that are too short or contained grammatical errors. To address this issue, we propose independently evaluating machine-generated text across multiple dimensions, rather than merging all the evaluation aspects into a single score. We instantiate this idea with the Elo rating system, resulting in the Multi-Elo Rating System. Empirical results from our study reveal that this proposed approach significantly enhances the quality of LLM-based evaluations, particularly in terms of factual accuracy. However, there is no significant improvement in crowd-sourced-based evaluations, indicating the need for further investigation and refinement.

Fake news detection has been a critical task for maintaining the health of the online news ecosystem. However, very few existing works consider the temporal shift issue caused by the rapidly-evolving nature of news data in practice, resulting in significant performance degradation when training on past data and testing on future data. In this paper, we observe that the appearances of news events on the same topic may display discernible patterns over time, and posit that such patterns can assist in selecting training instances that could make the model adapt better to future data. Specifically, we design an effective framework FTT (Forecasting Temporal Trends), which could forecast the temporal distribution patterns of news data and then guide the detector to fast adapt to future distribution. Experiments on the real-world temporally split dataset demonstrate the superiority of our proposed framework. The code is available at https://github.com/ICTMCG/FTT-ACL23.

Large pre-trained neural language models have brought immense progress to both NLP and software engineering. Models in OpenAI's GPT series now dwarf Google's BERT and Meta's RoBERTa, which previously set new benchmarks on a wide range of NLP applications. These models are trained on massive corpora of heterogeneous data from web crawls, which enables them to learn general language patterns and semantic relationships. However, the largest models are both expensive to train and deploy and are often closed-source, so we lack access to their data and design decisions. We argue that this trend towards large, general-purpose models should be complemented with single-purpose, more modestly sized pre-trained models. In this work, we take StackOverflow (SO) as a domain example in which large volumes of rich aligned code and text data is available. We adopt standard practices for pre-training large language models, including using a very large context size (2,048 tokens), batch size (0.5M tokens) and training set (27B tokens), coupled with a powerful toolkit (Megatron-LM), to train two models: SOBertBase, with 109M parameters, and SOBertLarge with 762M parameters, at a budget of just 187 and \800 each. We compare the performance of our models with both the previous SOTA model trained on SO data exclusively as well general-purpose BERT models and OpenAI's ChatGPT on four SO-specific downstream tasks - question quality prediction, closed question prediction, named entity recognition and obsoletion prediction (a new task we introduce). Not only do our models consistently outperform all baselines, the smaller model is often sufficient for strong results. Both models are released to the public. These results demonstrate that pre-training both extensively and properly on in-domain data can yield a powerful and affordable alternative to leveraging closed-source general-purpose models.

While large language models (LLMs) can answer many questions correctly, they can also hallucinate and give wrong answers. Wikidata, with its over 12 billion facts, can be used to ground LLMs to improve their factuality. This paper presents WikiWebQuestions, a high-quality question answering benchmark for Wikidata. Ported over from WebQuestions for Freebase, it consists of real-world data with SPARQL annotation. This paper presents a few-shot sequence-to-sequence semantic parser for Wikidata. We modify SPARQL to use the unique domain and property names instead of their IDs. We train the parser to use either the results from an entity linker or mentions in the query. We fine-tune LLaMA by adding the few-shot training data to that used to fine-tune Alpaca. Our experimental results demonstrate the effectiveness of this methodology, establishing a strong baseline of 76% and 65% answer accuracy in the dev and test sets of WikiWebQuestions, respectively. By pairing our semantic parser with GPT-3, we combine verifiable results with qualified GPT-3 guesses to provide useful answers to 96% of the questions in dev. We also show that our method outperforms the state-of-the-art for the QALD-7 Wikidata dataset by 3.6% in F1 score.

Language models trained on large-scale corpora can generate remarkably fluent results in open-domain dialogue. However, for the persona-based dialogue generation task, consistency and coherence are also key factors, which are great challenges for language models. Existing works mainly focus on valuable data filtering, model structure modifying, or objective function designing, while their improvements are limited and hard to generalize to all types of pre-trained language models. However, we find that language models can produce consistent and coherent responses if we consider enough generations. Thus, the problems lay in large-scale response generation and target response selection. In this work, a simple but effective two-stage SimOAP strategy is proposed, i.e., over-sampling and post-evaluation. The over-sampling stage takes large-scale responses from existing trained models efficiently via off-the-shelf distilling and compressing methods, and the post-evaluation stage selects a good response based on multiple well-designed evaluation metrics from large-scale candidates. Experimental results show that the proposed plug-in SimOAP strategy improves the backbone models and outperforms the baseline strategies in both automatic and human evaluations.

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

Multi-hop logical reasoning over knowledge graph (KG) plays a fundamental role in many artificial intelligence tasks. Recent complex query embedding (CQE) methods for reasoning focus on static KGs, while temporal knowledge graphs (TKGs) have not been fully explored. Reasoning over TKGs has two challenges: 1. The query should answer entities or timestamps; 2. The operators should consider both set logic on entity set and temporal logic on timestamp set. To bridge this gap, we define the multi-hop logical reasoning problem on TKGs. With generated three datasets, we propose the first temporal CQE named Temporal Feature-Logic Embedding framework (TFLEX) to answer the temporal complex queries. We utilize vector logic to compute the logic part of Temporal Feature-Logic embeddings, thus naturally modeling all First-Order Logic (FOL) operations on entity set. In addition, our framework extends vector logic on timestamp set to cope with three extra temporal operators (After, Before and Between). Experiments on numerous query patterns demonstrate the effectiveness of our method.

In this work, we study the performance of sub-gradient method (SubGM) on a natural nonconvex and nonsmooth formulation of low-rank matrix recovery with ell_1-loss, where the goal is to recover a low-rank matrix from a limited number of measurements, a subset of which may be grossly corrupted with noise. We study a scenario where the rank of the true solution is unknown and over-estimated instead. The over-estimation of the rank gives rise to an over-parameterized model in which there are more degrees of freedom than needed. Such over-parameterization may lead to overfitting, or adversely affect the performance of the algorithm. We prove that a simple SubGM with small initialization is agnostic to both over-parameterization and noise in the measurements. In particular, we show that small initialization nullifies the effect of over-parameterization on the performance of SubGM, leading to an exponential improvement in its convergence rate. Moreover, we provide the first unifying framework for analyzing the behavior of SubGM under both outlier and Gaussian noise models, showing that SubGM converges to the true solution, even under arbitrarily large and arbitrarily dense noise values, and--perhaps surprisingly--even if the globally optimal solutions do not correspond to the ground truth. At the core of our results is a robust variant of restricted isometry property, called Sign-RIP, which controls the deviation of the sub-differential of the ell_1-loss from that of an ideal, expected loss. As a byproduct of our results, we consider a subclass of robust low-rank matrix recovery with Gaussian measurements, and show that the number of required samples to guarantee the global convergence of SubGM is independent of the over-parameterized rank.

Intersection over Union (IoU) is the most popular evaluation metric used in the object detection benchmarks. However, there is a gap between optimizing the commonly used distance losses for regressing the parameters of a bounding box and maximizing this metric value. The optimal objective for a metric is the metric itself. In the case of axis-aligned 2D bounding boxes, it can be shown that IoU can be directly used as a regression loss. However, IoU has a plateau making it infeasible to optimize in the case of non-overlapping bounding boxes. In this paper, we address the weaknesses of IoU by introducing a generalized version as both a new loss and a new metric. By incorporating this generalized IoU (GIoU) as a loss into the state-of-the art object detection frameworks, we show a consistent improvement on their performance using both the standard, IoU based, and new, GIoU based, performance measures on popular object detection benchmarks such as PASCAL VOC and MS COCO.

Large Language Models (LLMs) have issues with document question answering (QA) in situations where the document is unable to fit in the small context length of an LLM. To overcome this issue, most existing works focus on retrieving the relevant context from the document, representing them as plain text. However, documents such as PDFs, web pages, and presentations are naturally structured with different pages, tables, sections, and so on. Representing such structured documents as plain text is incongruous with the user's mental model of these documents with rich structure. When a system has to query the document for context, this incongruity is brought to the fore, and seemingly trivial questions can trip up the QA system. To bridge this fundamental gap in handling structured documents, we propose an approach called PDFTriage that enables models to retrieve the context based on either structure or content. Our experiments demonstrate the effectiveness of the proposed PDFTriage-augmented models across several classes of questions where existing retrieval-augmented LLMs fail. To facilitate further research on this fundamental problem, we release our benchmark dataset consisting of 900+ human-generated questions over 80 structured documents from 10 different categories of question types for document QA.

In this paper, we explore the idea of training large language models (LLMs) over highly compressed text. While standard subword tokenizers compress text by a small factor, neural text compressors can achieve much higher rates of compression. If it were possible to train LLMs directly over neurally compressed text, this would confer advantages in training and serving efficiency, as well as easier handling of long text spans. The main obstacle to this goal is that strong compression tends to produce opaque outputs that are not well-suited for learning. In particular, we find that text na\"ively compressed via Arithmetic Coding is not readily learnable by LLMs. To overcome this, we propose Equal-Info Windows, a novel compression technique whereby text is segmented into blocks that each compress to the same bit length. Using this method, we demonstrate effective learning over neurally compressed text that improves with scale, and outperforms byte-level baselines by a wide margin on perplexity and inference speed benchmarks. While our method delivers worse perplexity than subword tokenizers for models trained with the same parameter count, it has the benefit of shorter sequence lengths. Shorter sequence lengths require fewer autoregressive generation steps, and reduce latency. Finally, we provide extensive analysis of the properties that contribute to learnability, and offer concrete suggestions for how to further improve the performance of high-compression tokenizers.

Video content creators need efficient tools to repurpose content, a task that often requires complex manual or automated searches. Crafting a new video from large video libraries remains a challenge. In this paper we introduce the task of Video Library Question Answering (VLQA) through an interoperable architecture that applies Retrieval Augmented Generation (RAG) to video libraries. We propose a system that uses large language models (LLMs) to generate search queries, retrieving relevant video moments indexed by speech and visual metadata. An answer generation module then integrates user queries with this metadata to produce responses with specific video timestamps. This approach shows promise in multimedia content retrieval, and AI-assisted video content creation.

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose significant challenges to state-of-the-art models. Drawing inspiration from the beam search algorithm, we propose PathFinder, a tree-search-based reasoning path generation approach. It enhances diverse branching and multi-hop reasoning through the integration of dynamic decoding, enabled by varying sampling methods and parameters. Using constrained reasoning, PathFinder integrates novel quality constraints, pruning, and exploration methods to enhance the efficiency and the quality of generation. Moreover, it includes scoring and ranking features to improve candidate selection. Our approach outperforms competitive baselines on three complex arithmetic and commonsense reasoning tasks by 6% on average. Our model generalizes well to longer, unseen reasoning chains, reflecting similar complexities to beam search with large branching factors.

There has been growing sentiment recently that modern large multimodal models (LMMs) have addressed most of the key challenges related to short video comprehension. As a result, both academia and industry are gradually shifting their attention towards the more complex challenges posed by understanding long-form videos. However, is this really the case? Our studies indicate that LMMs still lack many fundamental reasoning capabilities even when dealing with short videos. We introduce Vinoground, a temporal counterfactual LMM evaluation benchmark encompassing 1000 short and natural video-caption pairs. We demonstrate that existing LMMs severely struggle to distinguish temporal differences between different actions and object transformations. For example, the best model GPT-4o only obtains ~50% on our text and video scores, showing a large gap compared to the human baseline of ~90%. All open-source multimodal models and CLIP-based models perform much worse, producing mostly random chance performance. Through this work, we shed light onto the fact that temporal reasoning in short videos is a problem yet to be fully solved. The dataset and evaluation code are available at https://vinoground.github.io.

The effectiveness of large language models (LLMs) is closely tied to the design of prompts, making prompt optimization essential for enhancing their performance across a wide range of tasks. Many existing approaches to automating prompt engineering rely exclusively on textual feedback, refining prompts based solely on inference errors identified by large, computationally expensive LLMs. Unfortunately, smaller models struggle to generate high-quality feedback, resulting in complete dependence on large LLM judgment. Moreover, these methods fail to leverage more direct and finer-grained information, such as gradients, due to operating purely in text space. To this end, we introduce GReaTer, a novel prompt optimization technique that directly incorporates gradient information over task-specific reasoning. By utilizing task loss gradients, GReaTer enables self-optimization of prompts for open-source, lightweight language models without the need for costly closed-source LLMs. This allows high-performance prompt optimization without dependence on massive LLMs, closing the gap between smaller models and the sophisticated reasoning often needed for prompt refinement. Extensive evaluations across diverse reasoning tasks including BBH, GSM8k, and FOLIO demonstrate that GReaTer consistently outperforms previous state-of-the-art prompt optimization methods, even those reliant on powerful LLMs. Additionally, GReaTer-optimized prompts frequently exhibit better transferability and, in some cases, boost task performance to levels comparable to or surpassing those achieved by larger language models, highlighting the effectiveness of prompt optimization guided by gradients over reasoning. Code of GReaTer is available at https://github.com/psunlpgroup/GreaTer.

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.

Hallucination, posed as a pervasive challenge of multi-modal large language models (MLLMs), has significantly impeded their real-world usage that demands precise judgment. Existing methods mitigate this issue with either training with specific designed data or inferencing with external knowledge from other sources, incurring inevitable additional costs. In this paper, we present OPERA, a novel MLLM decoding method grounded in an Over-trust Penalty and a Retrospection-Allocation strategy, serving as a nearly free lunch to alleviate the hallucination issue without additional data, knowledge, or training. Our approach begins with an interesting observation that, most hallucinations are closely tied to the knowledge aggregation patterns manifested in the self-attention matrix, i.e., MLLMs tend to generate new tokens by focusing on a few summary tokens, but not all the previous tokens. Such partial over-trust inclination results in the neglecting of image tokens and describes the image content with hallucination. Statistically, we observe an 80%sim95% co-currency rate between hallucination contents and such knowledge aggregation patterns. Based on the observation, OPERA introduces a penalty term on the model logits during the beam-search decoding to mitigate the over-trust issue, along with a rollback strategy that retrospects the presence of summary tokens in the previously generated tokens, and re-allocate the token selection if necessary. With extensive experiments, OPERA shows significant hallucination-mitigating performance on different MLLMs and metrics, proving its effectiveness and generality. Our code is available at: https://github.com/shikiw/OPERA.

Lifelogs are descriptions of experiences that a person had during their life. Lifelogs are created by fusing data from the multitude of digital services, such as online photos, maps, shopping and content streaming services. Question answering over lifelogs can offer personal assistants a critical resource when they try to provide advice in context. However, obtaining answers to questions over lifelogs is beyond the current state of the art of question answering techniques for a variety of reasons, the most pronounced of which is that lifelogs combine free text with some degree of structure such as temporal and geographical information. We create and publicly release TimelineQA1, a benchmark for accelerating progress on querying lifelogs. TimelineQA generates lifelogs of imaginary people. The episodes in the lifelog range from major life episodes such as high school graduation to those that occur on a daily basis such as going for a run. We describe a set of experiments on TimelineQA with several state-of-the-art QA models. Our experiments reveal that for atomic queries, an extractive QA system significantly out-performs a state-of-the-art retrieval-augmented QA system. For multi-hop queries involving aggregates, we show that the best result is obtained with a state-of-the-art table QA technique, assuming the ground truth set of episodes for deriving the answer is available.

Logical reasoning is central to human cognition and intelligence. Past research of logical reasoning within AI uses formal language as knowledge representation~(and symbolic reasoners). However, reasoning with formal language has proved challenging~(e.g., brittleness and knowledge-acquisition bottleneck). This paper provides a comprehensive overview on a new paradigm of logical reasoning, which uses natural language as knowledge representation~(and pretrained language models as reasoners), including philosophical definition and categorization of logical reasoning, advantages of the new paradigm, benchmarks and methods, challenges of the new paradigm, desirable tasks & methods in the future, and relation to related NLP fields. This new paradigm is promising since it not only alleviates many challenges of formal representation but also has advantages over end-to-end neural methods.

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations. Our code is available at http://github.com/zoom-wang112358/MOLLEO

Instruction tuning plays a crucial role in shaping the outputs of language models (LMs) to desired styles. In this work, we propose a simple yet effective method, Instruction Modelling (IM), which trains LMs by applying a loss function to the instruction and prompt part rather than solely to the output part. Through experiments across 21 diverse benchmarks, we show that, in many scenarios, IM can effectively improve the LM performance on both NLP tasks (e.g., MMLU, TruthfulQA, and HumanEval) and open-ended generation benchmarks (e.g., MT-Bench and AlpacaEval). Remarkably, in the most advantageous case, IM boosts model performance on AlpacaEval 1.0 by over 100%. We identify two key factors influencing the effectiveness of IM: (1) The ratio between instruction length and output length in the training data; and (2) The number of training examples. We observe that IM is especially beneficial when trained on datasets with lengthy instructions paired with brief outputs, or under the Superficial Alignment Hypothesis (SAH) where a small amount of training examples are used for instruction tuning. Further analysis substantiates our hypothesis that the improvement can be attributed to reduced overfitting to instruction tuning datasets. Our work provides practical guidance for instruction tuning LMs, especially in low-resource scenarios.

Large Language Models (LLMs) have demonstrated considerable advances, and several claims have been made about their exceeding human performance. However, in real-world tasks, domain knowledge is often required. Low-resource learning methods like Active Learning (AL) have been proposed to tackle the cost of domain expert annotation, raising this question: Can LLMs surpass compact models trained with expert annotations in domain-specific tasks? In this work, we conduct an empirical experiment on four datasets from three different domains comparing SOTA LLMs with small models trained on expert annotations with AL. We found that small models can outperform GPT-3.5 with a few hundreds of labeled data, and they achieve higher or similar performance with GPT-4 despite that they are hundreds time smaller. Based on these findings, we posit that LLM predictions can be used as a warmup method in real-world applications and human experts remain indispensable in tasks involving data annotation driven by domain-specific knowledge.

Relation extraction (RE) has achieved remarkable progress with the help of pre-trained language models. However, existing RE models are usually incapable of handling two situations: implicit expressions and long-tail relation classes, caused by language complexity and data sparsity. Further, these approaches and models are largely inaccessible to users who don't have direct access to large language models (LLMs) and/or infrastructure for supervised training or fine-tuning. Rule-based systems also struggle with implicit expressions. Apart from this, Real world financial documents such as various 10-X reports (including 10-K, 10-Q, etc.) of publicly traded companies pose another challenge to rule-based systems in terms of longer and complex sentences. In this paper, we introduce a simple approach that consults training relations at test time through a nearest-neighbor search over dense vectors of lexico-syntactic patterns and provides a simple yet effective means to tackle the above issues. We evaluate our approach on REFinD and show that our method achieves state-of-the-art performance. We further show that it can provide a good start for human in the loop setup when a small number of annotations are available and it is also beneficial when domain experts can provide high quality patterns.

In this position paper, we argue that instead of morally aligning LLMs to specific set of ethical principles, we should infuse generic ethical reasoning capabilities into them so that they can handle value pluralism at a global scale. When provided with an ethical policy, an LLM should be capable of making decisions that are ethically consistent to the policy. We develop a framework that integrates moral dilemmas with moral principles pertaining to different foramlisms of normative ethics, and at different levels of abstractions. Initial experiments with GPT-x models shows that while GPT-4 is a nearly perfect ethical reasoner, the models still have bias towards the moral values of Western and English speaking societies.

Transformer-based language models have found many diverse applications requiring them to process sequences of increasing length. For these applications, the causal self-attention -- which is the only component scaling quadratically w.r.t. the sequence length -- becomes a central concern. While many works have proposed schemes to sparsify the attention patterns and reduce the computational overhead of self-attention, those are often limited by implementations concerns and end up imposing a simple and static structure over the attention matrix. Conversely, implementing more dynamic sparse attentions often results in runtimes significantly slower than computing the full attention using the Flash implementation from Dao et al. (2022). We extend FlashAttention to accommodate a large class of attention sparsity patterns that, in particular, encompass key/query dropping and hashing-based attention. This leads to implementations with no computational complexity overhead and a multi-fold runtime speedup on top of FlashAttention. Even with relatively low degrees of sparsity, our method improves visibly upon FlashAttention as the sequence length increases. Without sacrificing perplexity, we increase the training speed of a transformer language model by 2.0times and 3.3times for sequences of respectively 8k and 16k tokens.

In this paper, we propose NUWA-XL, a novel Diffusion over Diffusion architecture for eXtremely Long video generation. Most current work generates long videos segment by segment sequentially, which normally leads to the gap between training on short videos and inferring long videos, and the sequential generation is inefficient. Instead, our approach adopts a ``coarse-to-fine'' process, in which the video can be generated in parallel at the same granularity. A global diffusion model is applied to generate the keyframes across the entire time range, and then local diffusion models recursively fill in the content between nearby frames. This simple yet effective strategy allows us to directly train on long videos (3376 frames) to reduce the training-inference gap, and makes it possible to generate all segments in parallel. To evaluate our model, we build FlintstonesHD dataset, a new benchmark for long video generation. Experiments show that our model not only generates high-quality long videos with both global and local coherence, but also decreases the average inference time from 7.55min to 26s (by 94.26\%) at the same hardware setting when generating 1024 frames. The homepage link is https://msra-nuwa.azurewebsites.net/

Large language models (LLMs) have a substantial capacity for high-level analogical reasoning: reproducing patterns in linear text that occur in their training data (zero-shot evaluation) or in the provided context (few-shot in-context learning). However, recent studies show that even the more advanced LLMs fail in scenarios that require reasoning over multiple objects or facts and making sequences of logical deductions. We propose a two-stage probabilistic inference paradigm, ThinkSum, which reasons over sets of objects or facts in a structured manner. In the first stage (Think - retrieval of associations), a LLM is queried in parallel over a set of phrases extracted from the prompt or an auxiliary model call. In the second stage (Sum - probabilistic inference or reasoning), the results of these queries are aggregated to make the final prediction. We demonstrate the possibilities and advantages of ThinkSum on the BIG-bench suite of LLM evaluation tasks, achieving improvements over the state of the art using GPT-family models on thirteen difficult tasks, often with far smaller model variants. We also compare and contrast ThinkSum with other proposed modifications to direct prompting of LLMs, such as variants of chain-of-thought prompting. Our results suggest that because the probabilistic inference in ThinkSum is performed outside of calls to the LLM, ThinkSum is less sensitive to prompt design, yields more interpretable predictions, and can be flexibly combined with latent variable models to extract structured knowledge from LLMs. Overall, our proposed paradigm represents a promising approach for enhancing the reasoning capabilities of LLMs.

Analogical reasoning is fundamental to human cognition and holds an important place in various fields. However, previous studies mainly focus on single-modal analogical reasoning and ignore taking advantage of structure knowledge. Notably, the research in cognitive psychology has demonstrated that information from multimodal sources always brings more powerful cognitive transfer than single modality sources. To this end, we introduce the new task of multimodal analogical reasoning over knowledge graphs, which requires multimodal reasoning ability with the help of background knowledge. Specifically, we construct a Multimodal Analogical Reasoning dataSet (MARS) and a multimodal knowledge graph MarKG. We evaluate with multimodal knowledge graph embedding and pre-trained Transformer baselines, illustrating the potential challenges of the proposed task. We further propose a novel model-agnostic Multimodal analogical reasoning framework with Transformer (MarT) motivated by the structure mapping theory, which can obtain better performance. Code and datasets are available in https://github.com/zjunlp/MKG_Analogy.

Shadow tomography for quantum states provides a sample efficient approach for predicting the properties of quantum systems when the properties are restricted to expectation values of 2-outcome POVMs. However, these shadow tomography procedures yield poor bounds if there are more than 2 outcomes per measurement. In this paper, we consider a general problem of learning properties from unknown quantum states: given an unknown d-dimensional quantum state rho and M unknown quantum measurements M_1,...,M_M with Kgeq 2 outcomes, estimating the probability distribution for applying M_i on rho to within total variation distance epsilon. Compared to the special case when K=2, we need to learn unknown distributions instead of values. We develop an online shadow tomography procedure that solves this problem with high success probability requiring O(Klog^2Mlog d/epsilon^4) copies of rho. We further prove an information-theoretic lower bound that at least Omega(min{d^2,K+log M}/epsilon^2) copies of rho are required to solve this problem with high success probability. Our shadow tomography procedure requires sample complexity with only logarithmic dependence on M and d and is sample-optimal for the dependence on K.

NLP benchmarks have largely focused on short texts, such as sentences and paragraphs, even though long texts comprise a considerable amount of natural language in the wild. We introduce SCROLLS, a suite of tasks that require reasoning over long texts. We examine existing long-text datasets, and handpick ones where the text is naturally long, while prioritizing tasks that involve synthesizing information across the input. SCROLLS contains summarization, question answering, and natural language inference tasks, covering multiple domains, including literature, science, business, and entertainment. Initial baselines, including Longformer Encoder-Decoder, indicate that there is ample room for improvement on SCROLLS. We make all datasets available in a unified text-to-text format and host a live leaderboard to facilitate research on model architecture and pretraining methods.

Due to high utility in many applications, from social networks to blockchain to power grids, deep learning on non-Euclidean objects such as graphs and manifolds, coined Geometric Deep Learning (GDL), continues to gain an ever increasing interest. We propose a new L\'evy Flights Graph Convolutional Networks (LFGCN) method for semi-supervised learning, which casts the L\'evy Flights into random walks on graphs and, as a result, allows both to accurately account for the intrinsic graph topology and to substantially improve classification performance, especially for heterogeneous graphs. Furthermore, we propose a new preferential P-DropEdge method based on the Girvan-Newman argument. That is, in contrast to uniform removing of edges as in DropEdge, following the Girvan-Newman algorithm, we detect network periphery structures using information on edge betweenness and then remove edges according to their betweenness centrality. Our experimental results on semi-supervised node classification tasks demonstrate that the LFGCN coupled with P-DropEdge accelerates the training task, increases stability and further improves predictive accuracy of learned graph topology structure. Finally, in our case studies we bring the machinery of LFGCN and other deep networks tools to analysis of power grid networks - the area where the utility of GDL remains untapped.

We have tried to reproduce the results of the paper "Natural Language Inference over Interaction Space" submitted to ICLR 2018 conference as part of the ICLR 2018 Reproducibility Challenge. Initially, we were not aware that the code was available, so we started to implement the network from scratch. We have evaluated our version of the model on Stanford NLI dataset and reached 86.38% accuracy on the test set, while the paper claims 88.0% accuracy. The main difference, as we understand it, comes from the optimizers and the way model selection is performed.

An approach to the construction of classifiers from imbalanced datasets is described. A dataset is imbalanced if the classification categories are not approximately equally represented. Often real-world data sets are predominately composed of "normal" examples with only a small percentage of "abnormal" or "interesting" examples. It is also the case that the cost of misclassifying an abnormal (interesting) example as a normal example is often much higher than the cost of the reverse error. Under-sampling of the majority (normal) class has been proposed as a good means of increasing the sensitivity of a classifier to the minority class. This paper shows that a combination of our method of over-sampling the minority (abnormal) class and under-sampling the majority (normal) class can achieve better classifier performance (in ROC space) than only under-sampling the majority class. This paper also shows that a combination of our method of over-sampling the minority class and under-sampling the majority class can achieve better classifier performance (in ROC space) than varying the loss ratios in Ripper or class priors in Naive Bayes. Our method of over-sampling the minority class involves creating synthetic minority class examples. Experiments are performed using C4.5, Ripper and a Naive Bayes classifier. The method is evaluated using the area under the Receiver Operating Characteristic curve (AUC) and the ROC convex hull strategy.

Prompt injection attacks pose a critical threat to large language models (LLMs), enabling goal hijacking and data leakage. Prompt guard models, though effective in defense, suffer from over-defense -- falsely flagging benign inputs as malicious due to trigger word bias. To address this issue, we introduce NotInject, an evaluation dataset that systematically measures over-defense across various prompt guard models. NotInject contains 339 benign samples enriched with trigger words common in prompt injection attacks, enabling fine-grained evaluation. Our results show that state-of-the-art models suffer from over-defense issues, with accuracy dropping close to random guessing levels (60%). To mitigate this, we propose InjecGuard, a novel prompt guard model that incorporates a new training strategy, Mitigating Over-defense for Free (MOF), which significantly reduces the bias on trigger words. InjecGuard demonstrates state-of-the-art performance on diverse benchmarks including NotInject, surpassing the existing best model by 30.8%, offering a robust and open-source solution for detecting prompt injection attacks. The code and datasets are released at https://github.com/SaFoLab-WISC/InjecGuard.

Direct Alignment Algorithms (DAAs), such as Direct Preference Optimisation (DPO) and Identity Preference Optimisation (IPO), have emerged as alternatives to online Reinforcement Learning from Human Feedback (RLHF) algorithms such as Proximal Policy Optimisation (PPO) for aligning language models to human preferences, without the need for explicit reward modelling. These methods generally aim to increase the likelihood of generating better (preferred) completions while discouraging worse (non-preferred) ones, while staying close to the original model's behaviour. In this work, we explore the relationship between completion likelihood and model performance in state-of-the-art DAAs, and identify a critical issue of likelihood over-optimisation. Contrary to expectations, we find that higher likelihood of better completions and larger margins between better and worse completion likelihoods do not necessarily lead to better performance, and may even degrade it. Our analysis reveals that while higher likelihood correlates with better memorisation of factual knowledge patterns, a slightly lower completion likelihood tends to improve output diversity, thus leading to better generalisation to unseen scenarios. Moreover, we identify two key indicators that signal when over-optimised output diversity begins to harm performance: Decreasing Entropy over Top-k Tokens and Diminishing Top-k Probability Mass. Our experimental results validate that these indicators are reliable signs of declining performance under different regularisations, helping prevent over-optimisation and improve alignment with human preferences.

Artificial intelligence (AI) has demonstrated significant potential in ECG analysis and cardiovascular disease assessment. Recently, foundation models have played a remarkable role in advancing medical AI. The development of an ECG foundation model holds the promise of elevating AI-ECG research to new heights. However, building such a model faces several challenges, including insufficient database sample sizes and inadequate generalization across multiple domains. Additionally, there is a notable performance gap between single-lead and multi-lead ECG analyses. We introduced an ECG Foundation Model (ECGFounder), a general-purpose model that leverages real-world ECG annotations from cardiology experts to broaden the diagnostic capabilities of ECG analysis. ECGFounder was trained on over 10 million ECGs with 150 label categories from the Harvard-Emory ECG Database, enabling comprehensive cardiovascular disease diagnosis through ECG analysis. The model is designed to be both an effective out-of-the-box solution, and a to be fine-tunable for downstream tasks, maximizing usability. Importantly, we extended its application to lower rank ECGs, and arbitrary single-lead ECGs in particular. ECGFounder is applicable to supporting various downstream tasks in mobile monitoring scenarios. Experimental results demonstrate that ECGFounder achieves expert-level performance on internal validation sets, with AUROC exceeding 0.95 for eighty diagnoses. It also shows strong classification performance and generalization across various diagnoses on external validation sets. When fine-tuned, ECGFounder outperforms baseline models in demographic analysis, clinical event detection, and cross-modality cardiac rhythm diagnosis. The trained model and data will be publicly released upon publication through the bdsp.io. Our code is available at https://github.com/bdsp-core/ECGFounder

Humanoid robots can, in principle, use their legs to go almost anywhere. Developing controllers capable of traversing diverse terrains, however, remains a considerable challenge. Classical controllers are hard to generalize broadly while the learning-based methods have primarily focused on gentle terrains. Here, we present a learning-based approach for blind humanoid locomotion capable of traversing challenging natural and man-made terrain. Our method uses a transformer model to predict the next action based on the history of proprioceptive observations and actions. The model is first pre-trained on a dataset of flat-ground trajectories with sequence modeling, and then fine-tuned on uneven terrain using reinforcement learning. We evaluate our model on a real humanoid robot across a variety of terrains, including rough, deformable, and sloped surfaces. The model demonstrates robust performance, in-context adaptation, and emergent terrain representations. In real-world case studies, our humanoid robot successfully traversed over 4 miles of hiking trails in Berkeley and climbed some of the steepest streets in San Francisco.

Large language models (LLMs) have demonstrated strong reasoning capabilities. Nevertheless, they still suffer from factual errors when tackling knowledge-intensive tasks. Retrieval-augmented reasoning represents a promising approach. However, significant challenges still persist, including inaccurate and insufficient retrieval for complex questions, as well as difficulty in integrating multi-source knowledge. To address this, we propose Beam Aggregation Reasoning, BeamAggR, a reasoning framework for knowledge-intensive multi-hop QA. BeamAggR explores and prioritizes promising answers at each hop of question. Concretely, we parse the complex questions into trees, which include atom and composite questions, followed by bottom-up reasoning. For atomic questions, the LLM conducts reasoning on multi-source knowledge to get answer candidates. For composite questions, the LLM combines beam candidates, explores multiple reasoning paths through probabilistic aggregation, and prioritizes the most promising trajectory. Extensive experiments on four open-domain multi-hop reasoning datasets show that our method significantly outperforms SOTA methods by 8.5%. Furthermore, our analysis reveals that BeamAggR elicits better knowledge collaboration and answer aggregation.

Answering Questions over Knowledge Graphs (KGQA) is key to well-functioning autonomous language agents in various real-life applications. To improve the neural-symbolic reasoning capabilities of language agents powered by Large Language Models (LLMs) in KGQA, we propose the DecompositionAlignment-Reasoning Agent (DARA) framework. DARA effectively parses questions into formal queries through a dual mechanism: high-level iterative task decomposition and low-level task grounding. Importantly, DARA can be efficiently trained with a small number of high-quality reasoning trajectories. Our experimental results demonstrate that DARA fine-tuned on LLMs (e.g. Llama-2-7B, Mistral) outperforms both in-context learning-based agents with GPT-4 and alternative fine-tuned agents, across different benchmarks in zero-shot evaluation, making such models more accessible for real-life applications. We also show that DARA attains performance comparable to state-of-the-art enumerating-and-ranking-based methods for KGQA.

Large Language Models (LLMs) require careful safety alignment to prevent malicious outputs. While significant research focuses on mitigating harmful content generation, the enhanced safety often come with the side effect of over-refusal, where LLMs may reject innocuous prompts and become less helpful. Although the issue of over-refusal has been empirically observed, a systematic measurement is challenging due to the difficulty of crafting prompts that appear harmful but are benign. This study proposes a novel method for automatically generating large-scale sets of "seemingly toxic prompts" (benign prompts likely rejected by LLMs). Leveraging this technique, we introduce OR-Bench, the first large-scale over-refusal benchmark. OR-Bench comprises 80,000 seemingly toxic prompts across 10 common rejection categories, a subset of around 1,000 hard prompts that are challenging even for state-of-the-art LLMs, and an additional 600 toxic prompts to prevent indiscriminate responses. We then conduct a comprehensive study to measure the over-refusal of 25 popular LLMs across 8 model families. Our datasets are available at https://huggingface.co/datasets/bench-llm/or-bench and the demo can be found at https://huggingface.co/spaces/bench-llm/or-bench. We hope this benchmark can help the community develop better safety aligned models.

We introduce a large language model (LLM) based approach to answer complex questions requiring multi-hop numerical reasoning over financial reports. While LLMs have exhibited remarkable performance on various natural language and reasoning tasks, complex reasoning problems often rely on few-shot prompts that require carefully crafted examples. In contrast, our approach uses novel zero-shot prompts that guide the LLM to encode the required reasoning into a Python program or a domain specific language. The generated program is then executed by a program interpreter, thus mitigating the limitations of LLM in performing accurate arithmetic calculations. We evaluate the proposed approach on three financial datasets using some of the recently developed generative pretrained transformer (GPT) models and perform comparisons with various zero-shot baselines. The experimental results demonstrate that our approach significantly improves the accuracy for all the LLMs over their respective baselines. We provide a detailed analysis of the results, generating insights to support our findings. The success of our approach demonstrates the enormous potential to extract complex domain specific numerical reasoning by designing zero-shot prompts to effectively exploit the knowledge embedded in LLMs.

While most conversational agents are grounded on either free-text or structured knowledge, many knowledge corpora consist of hybrid sources. This paper presents the first conversational agent that supports the full generality of hybrid data access for large knowledge corpora, through a language we developed called SUQL (Structured and Unstructured Query Language). Specifically, SUQL extends SQL with free-text primitives (summary and answer), so information retrieval can be composed with structured data accesses arbitrarily in a formal, succinct, precise, and interpretable notation. With SUQL, we propose the first semantic parser, an LLM with in-context learning, that can handle hybrid data sources. Our in-context learning-based approach, when applied to the HybridQA dataset, comes within 8.9% exact match and 7.1% F1 of the SOTA, which was trained on 62K data samples. More significantly, unlike previous approaches, our technique is applicable to large databases and free-text corpora. We introduce a dataset consisting of crowdsourced questions and conversations on Yelp, a large, real restaurant knowledge base with structured and unstructured data. We show that our few-shot conversational agent based on SUQL finds an entity satisfying all user requirements 90.3% of the time, compared to 63.4% for a baseline based on linearization.

We carefully evaluate a number of algorithms for learning in a federated environment, and test their utility for a variety of image classification tasks. We consider many issues that have not been adequately considered before: whether learning over data sets that do not have diverse sets of images affects the results; whether to use a pre-trained feature extraction "backbone"; how to evaluate learner performance (we argue that classification accuracy is not enough), among others. Overall, across a wide variety of settings, we find that vertically decomposing a neural network seems to give the best results, and outperforms more standard reconciliation-used methods.

Maximizing monotone submodular functions under a matroid constraint is a classic algorithmic problem with multiple applications in data mining and machine learning. We study this classic problem in the fully dynamic setting, where elements can be both inserted and deleted in real-time. Our main result is a randomized algorithm that maintains an efficient data structure with an O(k^2) amortized update time (in the number of additions and deletions) and yields a 4-approximate solution, where k is the rank of the matroid.

Sparsely gated Mixture of Experts (MoE) models have been shown to be a compute-efficient method to scale model capacity for multilingual machine translation. However, for low-resource tasks, MoE models severely over-fit. We show effective regularization strategies, namely dropout techniques for MoE layers in EOM and FOM, Conditional MoE Routing and Curriculum Learning methods that prevent over-fitting and improve the performance of MoE models on low-resource tasks without adversely affecting high-resource tasks. On a massively multilingual machine translation benchmark, our strategies result in about +1 chrF++ improvement in very low resource language pairs. We perform an extensive analysis of the learned MoE routing to better understand the impact of our regularization methods and how we can improve them.

In designing and applying graph neural networks, we often fall into some optimization pitfalls, the most deceptive of which is that we can only build a deep model by solving over-smoothing. The fundamental reason is that we do not understand how graph neural networks work. Stress graph drawing can offer a unique viewpoint to message iteration in the graph, such as the root of the over-smoothing problem lies in the inability of graph models to maintain an ideal distance between nodes. We further elucidate the trigger conditions of over-smoothing and propose Stress Graph Neural Networks. By introducing the attractive and repulsive message passing from stress iteration, we show how to build a deep model without preventing over-smoothing, how to use repulsive information, and how to optimize the current message-passing scheme to approximate the full stress message propagation. By performing different tasks on 23 datasets, we verified the effectiveness of our attractive and repulsive models and the derived relationship between stress iteration and graph neural networks. We believe that stress graph drawing will be a popular resource for understanding and designing graph neural networks.

We present MidasTouch, a tactile perception system for online global localization of a vision-based touch sensor sliding on an object surface. This framework takes in posed tactile images over time, and outputs an evolving distribution of sensor pose on the object's surface, without the need for visual priors. Our key insight is to estimate local surface geometry with tactile sensing, learn a compact representation for it, and disambiguate these signals over a long time horizon. The backbone of MidasTouch is a Monte-Carlo particle filter, with a measurement model based on a tactile code network learned from tactile simulation. This network, inspired by LIDAR place recognition, compactly summarizes local surface geometries. These generated codes are efficiently compared against a precomputed tactile codebook per-object, to update the pose distribution. We further release the YCB-Slide dataset of real-world and simulated forceful sliding interactions between a vision-based tactile sensor and standard YCB objects. While single-touch localization can be inherently ambiguous, we can quickly localize our sensor by traversing salient surface geometries. Project page: https://suddhu.github.io/midastouch-tactile/

In this paper, we present NUWA-Infinity, a generative model for infinite visual synthesis, which is defined as the task of generating arbitrarily-sized high-resolution images or long-duration videos. An autoregressive over autoregressive generation mechanism is proposed to deal with this variable-size generation task, where a global patch-level autoregressive model considers the dependencies between patches, and a local token-level autoregressive model considers dependencies between visual tokens within each patch. A Nearby Context Pool (NCP) is introduced to cache-related patches already generated as the context for the current patch being generated, which can significantly save computation costs without sacrificing patch-level dependency modeling. An Arbitrary Direction Controller (ADC) is used to decide suitable generation orders for different visual synthesis tasks and learn order-aware positional embeddings. Compared to DALL-E, Imagen and Parti, NUWA-Infinity can generate high-resolution images with arbitrary sizes and support long-duration video generation additionally. Compared to NUWA, which also covers images and videos, NUWA-Infinity has superior visual synthesis capabilities in terms of resolution and variable-size generation. The GitHub link is https://github.com/microsoft/NUWA. The homepage link is https://nuwa-infinity.microsoft.com.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

Answering questions asked from instructional corpora such as E-manuals, recipe books, etc., has been far less studied than open-domain factoid context-based question answering. This can be primarily attributed to the absence of standard benchmark datasets. In this paper we meticulously create a large amount of data connected with E-manuals and develop suitable algorithm to exploit it. We collect E-Manual Corpus, a huge corpus of 307,957 E-manuals and pretrain RoBERTa on this large corpus. We create various benchmark QA datasets which include question answer pairs curated by experts based upon two E-manuals, real user questions from Community Question Answering Forum pertaining to E-manuals etc. We introduce EMQAP (E-Manual Question Answering Pipeline) that answers questions pertaining to electronics devices. Built upon the pretrained RoBERTa, it harbors a supervised multi-task learning framework which efficiently performs the dual tasks of identifying the section in the E-manual where the answer can be found and the exact answer span within that section. For E-Manual annotated question-answer pairs, we show an improvement of about 40% in ROUGE-L F1 scores over the most competitive baseline. We perform a detailed ablation study and establish the versatility of EMQAP across different circumstances. The code and datasets are shared at https://github.com/abhi1nandy2/EMNLP-2021-Findings, and the corresponding project website is https://sites.google.com/view/emanualqa/home.

Neural models have shown impressive performance gains in answering queries from natural language text. However, existing works are unable to support database queries, such as "List/Count all female athletes who were born in 20th century", which require reasoning over sets of relevant facts with operations such as join, filtering and aggregation. We show that while state-of-the-art transformer models perform very well for small databases, they exhibit limitations in processing noisy data, numerical operations, and queries that aggregate facts. We propose a modular architecture to answer these database-style queries over multiple spans from text and aggregating these at scale. We evaluate the architecture using WikiNLDB, a novel dataset for exploring such queries. Our architecture scales to databases containing thousands of facts whereas contemporary models are limited by how many facts can be encoded. In direct comparison on small databases, our approach increases overall answer accuracy from 85% to 90%. On larger databases, our approach retains its accuracy whereas transformer baselines could not encode the context.

In this paper, a real-time method called PoP-Net is proposed to predict multi-person 3D poses from a depth image. PoP-Net learns to predict bottom-up part representations and top-down global poses in a single shot. Specifically, a new part-level representation, called Truncated Part Displacement Field (TPDF), is introduced which enables an explicit fusion process to unify the advantages of bottom-up part detection and global pose detection. Meanwhile, an effective mode selection scheme is introduced to automatically resolve the conflicting cases between global pose and part detections. Finally, due to the lack of high-quality depth datasets for developing multi-person 3D pose estimation, we introduce Multi-Person 3D Human Pose Dataset (MP-3DHP) as a new benchmark. MP-3DHP is designed to enable effective multi-person and background data augmentation in model training, and to evaluate 3D human pose estimators under uncontrolled multi-person scenarios. We show that PoP-Net achieves the state-of-the-art results both on MP-3DHP and on the widely used ITOP dataset, and has significant advantages in efficiency for multi-person processing. To demonstrate one of the applications of our algorithm pipeline, we also show results of virtual avatars driven by our calculated 3D joint positions. MP-3DHP Dataset and the evaluation code have been made available at: https://github.com/oppo-us-research/PoP-Net.

Complex question answering over knowledge base (Complex KBQA) is challenging because it requires various compositional reasoning capabilities, such as multi-hop inference, attribute comparison, set operation. Existing benchmarks have some shortcomings that limit the development of Complex KBQA: 1) they only provide QA pairs without explicit reasoning processes; 2) questions are poor in diversity or scale. To this end, we introduce KQA Pro, a dataset for Complex KBQA including ~120K diverse natural language questions. We introduce a compositional and interpretable programming language KoPL to represent the reasoning process of complex questions. For each question, we provide the corresponding KoPL program and SPARQL query, so that KQA Pro serves for both KBQA and semantic parsing tasks. Experimental results show that SOTA KBQA methods cannot achieve promising results on KQA Pro as on current datasets, which suggests that KQA Pro is challenging and Complex KBQA requires further research efforts. We also treat KQA Pro as a diagnostic dataset for testing multiple reasoning skills, conduct a thorough evaluation of existing models and discuss further directions for Complex KBQA. Our codes and datasets can be obtained from https://github.com/shijx12/KQAPro_Baselines.

Neural networks, particularly Transformer-based architectures, have achieved significant performance improvements on several retrieval benchmarks. When the items being retrieved are documents, the time and memory cost of employing Transformers over a full sequence of document terms can be prohibitive. A popular strategy involves considering only the first n terms of the document. This can, however, result in a biased system that under retrieves longer documents. In this work, we propose a local self-attention which considers a moving window over the document terms and for each term attends only to other terms in the same window. This local attention incurs a fraction of the compute and memory cost of attention over the whole document. The windowed approach also leads to more compact packing of padded documents in minibatches resulting in additional savings. We also employ a learned saturation function and a two-staged pooling strategy to identify relevant regions of the document. The Transformer-Kernel pooling model with these changes can efficiently elicit relevance information from documents with thousands of tokens. We benchmark our proposed modifications on the document ranking task from the TREC 2019 Deep Learning track and observe significant improvements in retrieval quality as well as increased retrieval of longer documents at moderate increase in compute and memory costs.

Beginning with McCarthy's Advice Taker (1959), AI has pursued the goal of providing a system with explicit, general knowledge and having the system reason over that knowledge. However, expressing the knowledge in a formal (logical or probabilistic) representation has been a major obstacle to this research. This paper investigates a modern approach to this problem where the facts and rules are provided as natural language sentences, thus bypassing a formal representation. We train transformers to reason (or emulate reasoning) over these sentences using synthetically generated data. Our models, that we call RuleTakers, provide the first empirical demonstration that this kind of soft reasoning over language is learnable, can achieve high (99%) accuracy, and generalizes to test data requiring substantially deeper chaining than seen during training (95%+ scores). We also demonstrate that the models transfer well to two hand-authored rulebases, and to rulebases paraphrased into more natural language. These findings are significant as it suggests a new role for transformers, namely as limited "soft theorem provers" operating over explicit theories in language. This in turn suggests new possibilities for explainability, correctability, and counterfactual reasoning in question-answering.

Existing synthetic datasets (FigureQA, DVQA) for reasoning over plots do not contain variability in data labels, real-valued data, or complex reasoning questions. Consequently, proposed models for these datasets do not fully address the challenge of reasoning over plots. In particular, they assume that the answer comes either from a small fixed size vocabulary or from a bounding box within the image. However, in practice, this is an unrealistic assumption because many questions require reasoning and thus have real-valued answers which appear neither in a small fixed size vocabulary nor in the image. In this work, we aim to bridge this gap between existing datasets and real-world plots. Specifically, we propose PlotQA with 28.9 million question-answer pairs over 224,377 plots on data from real-world sources and questions based on crowd-sourced question templates. Further, 80.76% of the out-of-vocabulary (OOV) questions in PlotQA have answers that are not in a fixed vocabulary. Analysis of existing models on PlotQA reveals that they cannot deal with OOV questions: their overall accuracy on our dataset is in single digits. This is not surprising given that these models were not designed for such questions. As a step towards a more holistic model which can address fixed vocabulary as well as OOV questions, we propose a hybrid approach: Specific questions are answered by choosing the answer from a fixed vocabulary or by extracting it from a predicted bounding box in the plot, while other questions are answered with a table question-answering engine which is fed with a structured table generated by detecting visual elements from the image. On the existing DVQA dataset, our model has an accuracy of 58%, significantly improving on the highest reported accuracy of 46%. On PlotQA, our model has an accuracy of 22.52%, which is significantly better than state of the art models.

We present a method for planning robust grasps over uncertain shape completed objects. For shape completion, a deep neural network is trained to take a partial view of the object as input and outputs the completed shape as a voxel grid. The key part of the network is dropout layers which are enabled not only during training but also at run-time to generate a set of shape samples representing the shape uncertainty through Monte Carlo sampling. Given the set of shape completed objects, we generate grasp candidates on the mean object shape but evaluate them based on their joint performance in terms of analytical grasp metrics on all the shape candidates. We experimentally validate and benchmark our method against another state-of-the-art method with a Barrett hand on 90000 grasps in simulation and 200 grasps on a real Franka Emika Panda. All experimental results show statistically significant improvements both in terms of grasp quality metrics and grasp success rate, demonstrating that planning shape-uncertainty-aware grasps brings significant advantages over solely planning on a single shape estimate, especially when dealing with complex or unknown objects.

Programming language processing (similar to natural language processing) is a hot research topic in the field of software engineering; it has also aroused growing interest in the artificial intelligence community. However, different from a natural language sentence, a program contains rich, explicit, and complicated structural information. Hence, traditional NLP models may be inappropriate for programs. In this paper, we propose a novel tree-based convolutional neural network (TBCNN) for programming language processing, in which a convolution kernel is designed over programs' abstract syntax trees to capture structural information. TBCNN is a generic architecture for programming language processing; our experiments show its effectiveness in two different program analysis tasks: classifying programs according to functionality, and detecting code snippets of certain patterns. TBCNN outperforms baseline methods, including several neural models for NLP.