Daily Papers

The SYNTAX score has become a widely used measure of coronary disease severity , crucial in selecting the optimal mode of revascularization. This paper introduces a new medical regression and classification problem - automatically estimating SYNTAX score from coronary angiography. Our study presents a comprehensive dataset of 1,844 patients, featuring a balanced distribution of individuals with zero and non-zero scores. This dataset includes a first-of-its-kind, complete coronary angiography samples captured through a multi-view X-ray video, allowing one to observe coronary arteries from multiple perspectives. Furthermore, we present a novel, fully automatic end-to-end method for estimating the SYNTAX. For such a difficult task, we have achieved a solid coefficient of determination R2 of 0.51 in score predictions.

Foundation models are increasingly used in scientific research, but evaluating AI-generated scientific work remains challenging. While expert reviews are costly, large language models (LLMs) as proxy reviewers have proven to be unreliable. To address this, we investigate two automatic evaluation metrics, specifically citation count prediction and review score prediction. We parse all papers of OpenReview and augment each submission with its citation count, reference, and research hypothesis. Our findings reveal that citation count prediction is more viable than review score prediction, and predicting scores is more difficult purely from the research hypothesis than from the full paper. Furthermore, we show that a simple prediction model based solely on title and abstract outperforms LLM-based reviewers, though it still falls short of human-level consistency.

The task of personalized image aesthetic assessment seeks to tailor aesthetic score prediction models to match individual preferences with just a few user-provided inputs. However, the scalability and generalization capabilities of current approaches are considerably restricted by their reliance on an expensive curated database. To overcome this long-standing scalability challenge, we present a unique approach that leverages readily available databases for general image aesthetic assessment and image quality assessment. Specifically, we view each database as a distinct image score regression task that exhibits varying degrees of personalization potential. By determining optimal combinations of task vectors, known to represent specific traits of each database, we successfully create personalized models for individuals. This approach of integrating multiple models allows us to harness a substantial amount of data. Our extensive experiments demonstrate the effectiveness of our approach in generalizing to previously unseen domains-a challenge previous approaches have struggled to achieve-making it highly applicable to real-world scenarios. Our novel approach significantly advances the field by offering scalable solutions for personalized aesthetic assessment and establishing high standards for future research. https://yeolj00.github.io/personal-projects/personalized-aesthetics/

Objective gait assessment in Parkinson's Disease (PD) is limited by the absence of large, diverse, and clinically annotated motion datasets. We introduce CARE-PD, the largest publicly available archive of 3D mesh gait data for PD, and the first multi-site collection spanning 9 cohorts from 8 clinical centers. All recordings (RGB video or motion capture) are converted into anonymized SMPL meshes via a harmonized preprocessing pipeline. CARE-PD supports two key benchmarks: supervised clinical score prediction (estimating Unified Parkinson's Disease Rating Scale, UPDRS, gait scores) and unsupervised motion pretext tasks (2D-to-3D keypoint lifting and full-body 3D reconstruction). Clinical prediction is evaluated under four generalization protocols: within-dataset, cross-dataset, leave-one-dataset-out, and multi-dataset in-domain adaptation. To assess clinical relevance, we compare state-of-the-art motion encoders with a traditional gait-feature baseline, finding that encoders consistently outperform handcrafted features. Pretraining on CARE-PD reduces MPJPE (from 60.8mm to 7.5mm) and boosts PD severity macro-F1 by 17 percentage points, underscoring the value of clinically curated, diverse training data. CARE-PD and all benchmark code are released for non-commercial research at https://neurips2025.care-pd.ca/.

Evaluating machine translation (MT) for low-resource languages poses a persistent challenge, primarily due to the limited availability of high quality reference translations. This issue is further exacerbated in languages with multiple dialects, where linguistic diversity and data scarcity hinder robust evaluation. Large Language Models (LLMs) present a promising solution through reference-free evaluation techniques; however, their effectiveness diminishes in the absence of dialect-specific context and tailored guidance. In this work, we propose a comprehensive framework that enhances LLM-based MT evaluation using a dialect guided approach. We extend the ONUBAD dataset by incorporating Sylheti-English sentence pairs, corresponding machine translations, and Direct Assessment (DA) scores annotated by native speakers. To address the vocabulary gap, we augment the tokenizer vocabulary with dialect-specific terms. We further introduce a regression head to enable scalar score prediction and design a dialect-guided (DG) prompting strategy. Our evaluation across multiple LLMs shows that the proposed pipeline consistently outperforms existing methods, achieving the highest gain of +0.1083 in Spearman correlation, along with improvements across other evaluation settings. The dataset and the code are available at https://github.com/180041123-Atiq/MTEonLowResourceLanguage.

This paper investigates whether large language models (LLMs) are state-of-the-art quality estimators for machine translation of user-generated content (UGC) that contains emotional expressions, without the use of reference translations. To achieve this, we employ an existing emotion-related dataset with human-annotated errors and calculate quality evaluation scores based on the Multi-dimensional Quality Metrics. We compare the accuracy of several LLMs with that of our fine-tuned baseline models, under in-context learning and parameter-efficient fine-tuning (PEFT) scenarios. We find that PEFT of LLMs leads to better performance in score prediction with human interpretable explanations than fine-tuned models. However, a manual analysis of LLM outputs reveals that they still have problems such as refusal to reply to a prompt and unstable output while evaluating machine translation of UGC.

Image quality assessment (IQA) algorithm aims to quantify the human perception of image quality. Unfortunately, there is a performance drop when assessing the distortion images generated by generative adversarial network (GAN) with seemingly realistic texture. In this work, we conjecture that this maladaptation lies in the backbone of IQA models, where patch-level prediction methods use independent image patches as input to calculate their scores separately, but lack spatial relationship modeling among image patches. Therefore, we propose an Attention-based Hybrid Image Quality Assessment Network (AHIQ) to deal with the challenge and get better performance on the GAN-based IQA task. Firstly, we adopt a two-branch architecture, including a vision transformer (ViT) branch and a convolutional neural network (CNN) branch for feature extraction. The hybrid architecture combines interaction information among image patches captured by ViT and local texture details from CNN. To make the features from shallow CNN more focused on the visually salient region, a deformable convolution is applied with the help of semantic information from the ViT branch. Finally, we use a patch-wise score prediction module to obtain the final score. The experiments show that our model outperforms the state-of-the-art methods on four standard IQA datasets and AHIQ ranked first on the Full Reference (FR) track of the NTIRE 2022 Perceptual Image Quality Assessment Challenge.

We present the system description for our submission towards the Key Point Analysis Shared Task at ArgMining 2021. Track 1 of the shared task requires participants to develop methods to predict the match score between each pair of arguments and keypoints, provided they belong to the same topic under the same stance. We leveraged existing state of the art pre-trained language models along with incorporating additional data and features extracted from the inputs (topics, key points, and arguments) to improve performance. We were able to achieve mAP strict and mAP relaxed score of 0.872 and 0.966 respectively in the evaluation phase, securing 5th place on the leaderboard. In the post evaluation phase, we achieved a mAP strict and mAP relaxed score of 0.921 and 0.982 respectively. All the codes to generate reproducible results on our models are available on Github.

Semi-supervised learning (SSL) has witnessed great progress with various improvements in the self-training framework with pseudo labeling. The main challenge is how to distinguish high-quality pseudo labels against the confirmation bias. However, existing pseudo-label selection strategies are limited to pre-defined schemes or complex hand-crafted policies specially designed for classification, failing to achieve high-quality labels, fast convergence, and task versatility simultaneously. To these ends, we propose a Semi-supervised Reward framework (SemiReward) that predicts reward scores to evaluate and filter out high-quality pseudo labels, which is pluggable to mainstream SSL methods in wide task types and scenarios. To mitigate confirmation bias, SemiReward is trained online in two stages with a generator model and subsampling strategy. With classification and regression tasks on 13 standard SSL benchmarks across three modalities, extensive experiments verify that SemiReward achieves significant performance gains and faster convergence speeds upon Pseudo Label, FlexMatch, and Free/SoftMatch. Code and models are available at https://github.com/Westlake-AI/SemiReward.

Training dialog policies for speech-based virtual assistants requires a plethora of conversational data. The data collection phase is often expensive and time consuming due to human involvement. To address this issue, a common solution is to build user simulators for data generation. For the successful deployment of the trained policies into real world domains, it is vital that the user simulator mimics realistic conditions. In particular, speech-based assistants are heavily affected by automatic speech recognition and language understanding errors, hence the user simulator should be able to simulate similar errors. In this paper, we review the existing error simulation methods that induce errors at audio, phoneme, text, or semantic level; and conduct detailed comparisons between the audio-level and text-level methods. In the process, we improve the existing text-level method by introducing confidence score prediction and out-of-vocabulary word mapping. We also explore the impact of audio-level and text-level methods on learning a simple clarification dialog policy to recover from errors to provide insight on future improvement for both approaches.

Automatic evaluation of machine translation (MT) is a critical tool driving the rapid iterative development of MT systems. While considerable progress has been made on estimating a single scalar quality score, current metrics lack the informativeness of more detailed schemes that annotate individual errors, such as Multidimensional Quality Metrics (MQM). In this paper, we help fill this gap by proposing AutoMQM, a prompting technique which leverages the reasoning and in-context learning capabilities of large language models (LLMs) and asks them to identify and categorize errors in translations. We start by evaluating recent LLMs, such as PaLM and PaLM-2, through simple score prediction prompting, and we study the impact of labeled data through in-context learning and finetuning. We then evaluate AutoMQM with PaLM-2 models, and we find that it improves performance compared to just prompting for scores (with particularly large gains for larger models) while providing interpretability through error spans that align with human annotations.

Current developments in large language models (LLMs) have enabled impressive zero-shot capabilities across various natural language tasks. An interesting application of these systems is in the automated assessment of natural language generation (NLG), a highly challenging area with great practical benefit. In this paper, we explore two options for exploiting the emergent abilities of LLMs for zero-shot NLG assessment: absolute score prediction, and comparative assessment which uses relative comparisons between pairs of candidates. Though comparative assessment has not been extensively studied in NLG assessment, we note that humans often find it more intuitive to compare two options rather than scoring each one independently. This work examines comparative assessment from multiple perspectives: performance compared to absolute grading; positional biases in the prompt; and efficient ranking in terms of the number of comparisons. We illustrate that LLM comparative assessment is a simple, general and effective approach for NLG assessment. For moderate-sized open-source LLMs, such as FlanT5 and Llama2-chat, comparative assessment is superior to prompt scoring, and in many cases can achieve performance competitive with state-of-the-art methods. Additionally, we demonstrate that LLMs often exhibit strong positional biases when making pairwise comparisons, and we propose debiasing methods that can further improve performance.

The rapid advancement in generative artificial intelligence have enabled the creation of 3D human faces (HFs) for applications including media production, virtual reality, security, healthcare, and game development, etc. However, assessing the quality and realism of these AI-generated 3D human faces remains a significant challenge due to the subjective nature of human perception and innate perceptual sensitivity to facial features. To this end, we conduct a comprehensive study on the quality assessment of AI-generated 3D human faces. We first introduce Gen3DHF, a large-scale benchmark comprising 2,000 videos of AI-Generated 3D Human Faces along with 4,000 Mean Opinion Scores (MOS) collected across two dimensions, i.e., quality and authenticity, 2,000 distortion-aware saliency maps and distortion descriptions. Based on Gen3DHF, we propose LMME3DHF, a Large Multimodal Model (LMM)-based metric for Evaluating 3DHF capable of quality and authenticity score prediction, distortion-aware visual question answering, and distortion-aware saliency prediction. Experimental results show that LMME3DHF achieves state-of-the-art performance, surpassing existing methods in both accurately predicting quality scores for AI-generated 3D human faces and effectively identifying distortion-aware salient regions and distortion types, while maintaining strong alignment with human perceptual judgments. Both the Gen3DHF database and the LMME3DHF will be released upon the publication.

Tracking often uses a multi-stage pipeline of feature extraction, target information integration, and bounding box estimation. To simplify this pipeline and unify the process of feature extraction and target information integration, we present a compact tracking framework, termed as MixFormer, built upon transformers. Our core design is to utilize the flexibility of attention operations, and propose a Mixed Attention Module (MAM) for simultaneous feature extraction and target information integration. This synchronous modeling scheme allows to extract target-specific discriminative features and perform extensive communication between target and search area. Based on MAM, we build our MixFormer tracking framework simply by stacking multiple MAMs with progressive patch embedding and placing a localization head on top. In addition, to handle multiple target templates during online tracking, we devise an asymmetric attention scheme in MAM to reduce computational cost, and propose an effective score prediction module to select high-quality templates. Our MixFormer sets a new state-of-the-art performance on five tracking benchmarks, including LaSOT, TrackingNet, VOT2020, GOT-10k, and UAV123. In particular, our MixFormer-L achieves NP score of 79.9% on LaSOT, 88.9% on TrackingNet and EAO of 0.555 on VOT2020. We also perform in-depth ablation studies to demonstrate the effectiveness of simultaneous feature extraction and information integration. Code and trained models are publicly available at https://github.com/MCG-NJU/MixFormer.

Current visual evaluation approaches are typically constrained to a single task. To address this, we propose OmniQuality-R, a unified reward modeling framework that transforms multi-task quality reasoning into continuous and interpretable reward signals for policy optimization. Inspired by subjective experiments, where participants are given task-specific instructions outlining distinct assessment principles prior to evaluation, we propose OmniQuality-R, a structured reward modeling framework that transforms multi-dimensional reasoning into continuous and interpretable reward signals. To enable this, we construct a reasoning-enhanced reward modeling dataset by sampling informative plan-reason trajectories via rejection sampling, forming a reliable chain-of-thought (CoT) dataset for supervised fine-tuning (SFT). Building on this, we apply Group Relative Policy Optimization (GRPO) for post-training, using a Gaussian-based reward to support continuous score prediction. To further stabilize the training and improve downstream generalization, we incorporate standard deviation (STD) filtering and entropy gating mechanisms during reinforcement learning. These techniques suppress unstable updates and reduce variance in policy optimization. We evaluate OmniQuality-R on three key IQA tasks: aesthetic quality assessment, technical quality evaluation, and text-image alignment.

Technical Element Score (TES) and Program Component Score (PCS) evaluations in figure skating demand precise assessment of athletic actions and artistic interpretation, respectively. Existing methods face three major challenges. Firstly, video and audio cues are regarded as common features for both TES and PCS predictions in previous works without considering the prior evaluation criterion of figure skating. Secondly, action elements in competitions are separated in time, TES should be derived from each element's score, but existing methods try to give an overall TES prediction without evaluating each action element. Thirdly, lengthy competition videos make it difficult and inefficient to handle long-range contexts. To address these challenges, we propose a two-stream Mamba pyramid network that aligns with actual judging criteria to predict TES and PCS by separating visual-feature based TES evaluation stream from audio-visual-feature based PCS evaluation stream. In the PCS evaluation stream, we introduce a multi-level fusion mechanism to guarantee that video-based features remain unaffected when assessing TES, and enhance PCS estimation by fusing visual and auditory cues across each contextual level of the pyramid. In the TES evaluation stream, the multi-scale Mamba pyramid and TES head we proposed effectively address the challenges of localizing and evaluating action elements with various temporal scales and give score predictions. With Mamba's superior ability to capture long-range dependencies and its linear computational complexity, our method is ideal for handling lengthy figure skating videos. Comprehensive experimentation demonstrates that our framework attains state-of-the-art performance on the FineFS benchmark. Our source code is available at https://github.com/ycwfs/Figure-Skating-Action-Quality-Assessment.

Mean Opinion Score (MOS) prediction for text to music systems requires evaluating both overall musical quality and text prompt alignment. This paper introduces WhisQ, a multimodal architecture that addresses this dual-assessment challenge through sequence level co-attention and optimal transport regularization. WhisQ employs the Whisper Base pretrained model for temporal audio encoding and Qwen 3, a 0.6B Small Language Model (SLM), for text encoding, with both maintaining sequence structure for fine grained cross-modal modeling. The architecture features specialized prediction pathways: OMQ is predicted from pooled audio embeddings, while TA leverages bidirectional sequence co-attention between audio and text. Sinkhorn optimal transport loss further enforce semantic alignment in the shared embedding space. On the MusicEval Track-1 dataset, WhisQ achieves substantial improvements over the baseline: 7% improvement in Spearman correlation for OMQ and 14% for TA. Ablation studies reveal that optimal transport regularization provides the largest performance gain (10% SRCC improvement), demonstrating the importance of explicit cross-modal alignment for text-to-music evaluation.

A pooling mechanism is essential for mean opinion score (MOS) prediction, facilitating the transformation of variable-length audio features into a concise fixed-size representation that effectively encodes speech quality. Existing pooling methods typically operate at a singular granularity, concentrating either on a comprehensive global perspective or a detailed frame-level analysis, which may overlook complementary perceptual insights. To address this limitation, we introduce the Dual-Resolution Attentive Statistics Pooling (DRASP) framework. DRASP integrates both coarse-grained, global statistical summaries and fine-grained, attentive analyses of perceptually significant segments. This dual-view architecture empowers our model to formulate a more thorough and robust representation, capturing both the overarching structural context and salient local details concurrently. Extensive experiments validate the effectiveness and strong generalization ability of the proposed framework. It consistently outperforms various baseline methods across diverse datasets (MusicEval and AES-Natural), MOS prediction backbones (including a CLAP-based model and AudioBox-Aesthetics), and different audio generation systems, achieving a relative improvement of 10.39% in system-level Spearman's rank correlation coefficient (SRCC) over the widely-used average pooling approach.

The integration of artificial intelligence (AI) in legal judgment prediction (LJP) has the potential to transform the legal landscape, particularly in jurisdictions like India, where a significant backlog of cases burdens the legal system. This paper introduces NyayaAnumana, the largest and most diverse corpus of Indian legal cases compiled for LJP, encompassing a total of 7,02,945 preprocessed cases. NyayaAnumana, which combines the words "Nyay" (judgment) and "Anuman" (prediction or inference) respectively for most major Indian languages, includes a wide range of cases from the Supreme Court, High Courts, Tribunal Courts, District Courts, and Daily Orders and, thus, provides unparalleled diversity and coverage. Our dataset surpasses existing datasets like PredEx and ILDC, offering a comprehensive foundation for advanced AI research in the legal domain. In addition to the dataset, we present INLegalLlama, a domain-specific generative large language model (LLM) tailored to the intricacies of the Indian legal system. It is developed through a two-phase training approach over a base LLaMa model. First, Indian legal documents are injected using continual pretraining. Second, task-specific supervised finetuning is done. This method allows the model to achieve a deeper understanding of legal contexts. Our experiments demonstrate that incorporating diverse court data significantly boosts model accuracy, achieving approximately 90% F1-score in prediction tasks. INLegalLlama not only improves prediction accuracy but also offers comprehensible explanations, addressing the need for explainability in AI-assisted legal decisions.

State-of-the-art supervised NLP models achieve high accuracy but are also susceptible to failures on inputs from low-data regimes, such as domains that are not represented in training data. As an approximation to collecting ground-truth labels for the specific domain, we study the use of large language models (LLMs) for annotating inputs and improving the generalization of NLP models. Specifically, given a budget for LLM annotations, we present an algorithm for sampling the most informative inputs to annotate and retrain the NLP model. We find that popular active learning strategies such as uncertainty-based sampling do not work well. Instead, we propose a sampling strategy based on the difference in prediction scores between the base model and the finetuned NLP model, utilizing the fact that most NLP models are finetuned from a base model. Experiments with classification (semantic similarity) and ranking (semantic search) tasks show that our sampling strategy leads to significant gains in accuracy for both the training and target domains.

Evaluating audio generation systems, including text-to-music (TTM), text-to-speech (TTS), and text-to-audio (TTA), remains challenging due to the subjective and multi-dimensional nature of human perception. Existing methods treat mean opinion score (MOS) prediction as a regression problem, but standard regression losses overlook the relativity of perceptual judgments. To address this limitation, we introduce QAMRO, a novel Quality-aware Adaptive Margin Ranking Optimization framework that seamlessly integrates regression objectives from different perspectives, aiming to highlight perceptual differences and prioritize accurate ratings. Our framework leverages pre-trained audio-text models such as CLAP and Audiobox-Aesthetics, and is trained exclusively on the official AudioMOS Challenge 2025 dataset. It demonstrates superior alignment with human evaluations across all dimensions, significantly outperforming robust baseline models.

We present the UTokyo-SaruLab mean opinion score (MOS) prediction system submitted to VoiceMOS Challenge 2022. The challenge is to predict the MOS values of speech samples collected from previous Blizzard Challenges and Voice Conversion Challenges for two tracks: a main track for in-domain prediction and an out-of-domain (OOD) track for which there is less labeled data from different listening tests. Our system is based on ensemble learning of strong and weak learners. Strong learners incorporate several improvements to the previous fine-tuning models of self-supervised learning (SSL) models, while weak learners use basic machine-learning methods to predict scores from SSL features. In the Challenge, our system had the highest score on several metrics for both the main and OOD tracks. In addition, we conducted ablation studies to investigate the effectiveness of our proposed methods.

The rise of Deepfake technology to generate hyper-realistic manipulated images and videos poses a significant challenge to the public and relevant authorities. This study presents a robust Deepfake detection based on a modified Vision Transformer(ViT) model, trained to distinguish between real and Deepfake images. The model has been trained on a subset of the OpenForensics Dataset with multiple augmentation techniques to increase robustness for diverse image manipulations. The class imbalance issues are handled by oversampling and a train-validation split of the dataset in a stratified manner. Performance is evaluated using the accuracy metric on the training and testing datasets, followed by a prediction score on a random image of people, irrespective of their realness. The model demonstrates state-of-the-art results on the test dataset to meticulously detect Deepfake images.

Receiver Operating Characteristic (ROC) and Precision-Recall (PR) curves are fundamental tools for evaluating machine learning classifiers, offering detailed insights into the trade-offs between true positive rate vs. false positive rate (ROC) or precision vs. recall (PR). However, in Federated Learning (FL) scenarios, where data is distributed across multiple clients, computing these curves is challenging due to privacy and communication constraints. Specifically, the server cannot access raw prediction scores and class labels, which are used to compute the ROC and PR curves in a centralized setting. In this paper, we propose a novel method for approximating ROC and PR curves in a federated setting by estimating quantiles of the prediction score distribution under distributed differential privacy. We provide theoretical bounds on the Area Error (AE) between the true and estimated curves, demonstrating the trade-offs between approximation accuracy, privacy, and communication cost. Empirical results on real-world datasets demonstrate that our method achieves high approximation accuracy with minimal communication and strong privacy guarantees, making it practical for privacy-preserving model evaluation in federated systems.

Toxic comments in online platforms are an unavoidable social issue under the cloak of anonymity. Hate speech detection has been actively done for languages such as English, German, or Italian, where manually labeled corpus has been released. In this work, we first present 9.4K manually labeled entertainment news comments for identifying Korean toxic speech, collected from a widely used online news platform in Korea. The comments are annotated regarding social bias and hate speech since both aspects are correlated. The inter-annotator agreement Krippendorff's alpha score is 0.492 and 0.496, respectively. We provide benchmarks using CharCNN, BiLSTM, and BERT, where BERT achieves the highest score on all tasks. The models generally display better performance on bias identification, since the hate speech detection is a more subjective issue. Additionally, when BERT is trained with bias label for hate speech detection, the prediction score increases, implying that bias and hate are intertwined. We make our dataset publicly available and open competitions with the corpus and benchmarks.

This paper approaches the problem of separating the notes from a quantized symbolic music piece (e.g., a MIDI file) into multiple voices and staves. This is a fundamental part of the larger task of music score engraving (or score typesetting), which aims to produce readable musical scores for human performers. We focus on piano music and support homophonic voices, i.e., voices that can contain chords, and cross-staff voices, which are notably difficult tasks that have often been overlooked in previous research. We propose an end-to-end system based on graph neural networks that clusters notes that belong to the same chord and connects them with edges if they are part of a voice. Our results show clear and consistent improvements over a previous approach on two datasets of different styles. To aid the qualitative analysis of our results, we support the export in symbolic music formats and provide a direct visualization of our outputs graph over the musical score. All code and pre-trained models are available at https://github.com/CPJKU/piano_svsep

Osteoporosis is a widespread and chronic metabolic bone disease that often remains undiagnosed and untreated due to limited access to bone mineral density (BMD) tests like Dual-energy X-ray absorptiometry (DXA). In response to this challenge, current advancements are pivoting towards detecting osteoporosis by examining alternative indicators from peripheral bone areas, with the goal of increasing screening rates without added expenses or time. In this paper, we present a method to predict osteoporosis using hand and wrist X-ray images, which are both widely accessible and affordable, though their link to DXA-based data is not thoroughly explored. Initially, our method segments the ulnar, radius, and metacarpal bones using a foundational model for image segmentation. Then, we use a self-supervised learning approach to extract meaningful representations without the need for explicit labels, and move on to classify osteoporosis in a supervised manner. Our method is evaluated on a dataset with 192 individuals, cross-referencing their verified osteoporosis conditions against the standard DXA test. With a notable classification score (AUC=0.83), our model represents a pioneering effort in leveraging vision-based techniques for osteoporosis identification from the peripheral skeleton sites.

The field of Explainable Artificial Intelligence (XAI) aims to build explainable and interpretable machine learning (or deep learning) methods without sacrificing prediction performance. Convolutional Neural Networks (CNNs) have been successful in making predictions, especially in image classification. However, these famous deep learning models use tens of millions of parameters based on a large number of pre-trained filters which have been repurposed from previous data sets. We propose a novel Interaction-based Convolutional Neural Network (ICNN) that does not make assumptions about the relevance of local information. Instead, we use a model-free Influence Score (I-score) to directly extract the influential information from images to form important variable modules. We demonstrate that the proposed method produces state-of-the-art prediction performance of 99.8% on a real-world data set classifying COVID-19 Chest X-ray images without sacrificing the explanatory power of the model. This proposed design can efficiently screen COVID-19 patients before human diagnosis, and will be the benchmark for addressing future XAI problems in large-scale data sets.

Split and rephrase is the task of breaking down a sentence into shorter ones that together convey the same meaning. We extract a rich new dataset for this task by mining Wikipedia's edit history: WikiSplit contains one million naturally occurring sentence rewrites, providing sixty times more distinct split examples and a ninety times larger vocabulary than the WebSplit corpus introduced by Narayan et al. (2017) as a benchmark for this task. Incorporating WikiSplit as training data produces a model with qualitatively better predictions that score 32 BLEU points above the prior best result on the WebSplit benchmark.

While making a tremendous impact in various fields, deep neural networks usually require large amounts of labeled data for training which are expensive to collect in many applications, especially in the medical domain. Unlabeled data, on the other hand, is much more abundant. Semi-supervised learning techniques, such as co-training, could provide a powerful tool to leverage unlabeled data. In this paper, we propose a novel framework, uncertainty-aware multi-view co-training (UMCT), to address semi-supervised learning on 3D data, such as volumetric data from medical imaging. In our work, co-training is achieved by exploiting multi-viewpoint consistency of 3D data. We generate different views by rotating or permuting the 3D data and utilize asymmetrical 3D kernels to encourage diversified features in different sub-networks. In addition, we propose an uncertainty-weighted label fusion mechanism to estimate the reliability of each view's prediction with Bayesian deep learning. As one view requires the supervision from other views in co-training, our self-adaptive approach computes a confidence score for the prediction of each unlabeled sample in order to assign a reliable pseudo label. Thus, our approach can take advantage of unlabeled data during training. We show the effectiveness of our proposed semi-supervised method on several public datasets from medical image segmentation tasks (NIH pancreas & LiTS liver tumor dataset). Meanwhile, a fully-supervised method based on our approach achieved state-of-the-art performances on both the LiTS liver tumor segmentation and the Medical Segmentation Decathlon (MSD) challenge, demonstrating the robustness and value of our framework, even when fully supervised training is feasible.

Conformal Prediction (CP) controls the prediction uncertainty of classification systems by producing a small prediction set, ensuring a predetermined probability that the true class lies within this set. This is commonly done by defining a score, based on the model predictions, and setting a threshold on this score using a validation set. In this study, we address the problem of CP calibration when we only have access to a calibration set with noisy labels. We show how we can estimate the noise-free conformal threshold based on the noisy labeled data. We derive a finite sample coverage guarantee for uniform noise that remains effective even in tasks with a large number of classes. We dub our approach Noise-Aware Conformal Prediction (NACP). We illustrate the performance of the proposed results on several standard image classification datasets with a large number of classes.

In many jurisdictions, the excessive workload of courts leads to high delays. Suitable predictive AI models can assist legal professionals in their work, and thus enhance and speed up the process. So far, Legal Judgment Prediction (LJP) datasets have been released in English, French, and Chinese. We publicly release a multilingual (German, French, and Italian), diachronic (2000-2020) corpus of 85K cases from the Federal Supreme Court of Switzerland (FSCS). We evaluate state-of-the-art BERT-based methods including two variants of BERT that overcome the BERT input (text) length limitation (up to 512 tokens). Hierarchical BERT has the best performance (approx. 68-70% Macro-F1-Score in German and French). Furthermore, we study how several factors (canton of origin, year of publication, text length, legal area) affect performance. We release both the benchmark dataset and our code to accelerate future research and ensure reproducibility.

Satellite connectivity is gaining increased attention as the demand for seamless internet access, especially in transportation and remote areas, continues to grow. For fast-moving objects such as aircraft, vehicles, or trains, satellite connectivity is critical due to their mobility and frequent presence in areas without terrestrial coverage. Maintaining reliable connectivity in these cases requires frequent switching between satellite beams, constellations, or orbits. To enhance user experience and address challenges like long switching times, Machine Learning (ML) algorithms can analyze historical connectivity data and predict network quality at specific locations. This allows for proactive measures, such as network switching before connectivity issues arise. In this paper, we analyze a real dataset of communication between a Geostationary Orbit (GEO) satellite and aircraft over multiple flights, using ML to predict signal quality. Our prediction model achieved an F1 score of 0.97 on the test data, demonstrating the accuracy of machine learning in predicting signal quality during flight. By enabling seamless broadband service, including roaming between different satellite constellations and providers, our model addresses the need for real-time predictions of signal quality. This approach can further be adapted to automate satellite and beam-switching mechanisms to improve overall communication efficiency. The model can also be retrained and applied to any moving object with satellite connectivity, using customized datasets, including connected vehicles and trains.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

We study multiple rule-based and machine learning (ML) models for sepsis detection. We report the first neural network detection and prediction results on three categories of sepsis. We have used the retrospective Medical Information Mart for Intensive Care (MIMIC)-III dataset, restricted to intensive care unit (ICU) patients. Features for prediction were created from only common vital sign measurements. We show significant improvement of AUC score using neural network based ensemble model compared to single ML and rule-based models. For the detection of sepsis, severe sepsis, and septic shock, our model achieves an AUC of 0.97, 0.96 and 0.91, respectively. Four hours before the positive hours, it predicts the same three categories with an AUC of 0.90, 0.91 and 0.90 respectively. Further, we ranked the features and found that using six vital signs consistently provides higher detection and prediction AUC for all the models tested. Our novel ensemble model achieves highest AUC in detecting and predicting sepsis, severe sepsis, and septic shock in the MIMIC-III ICU patients, and is amenable to deployment in hospital settings.

Uncertainty is almost ubiquitous in safety-critical autonomous systems due to dynamic environments and the integration of learning-based components. Quantifying this uncertainty--particularly for time-series predictions in multi-stage optimization--is essential for safe control and verification tasks. Conformal Prediction (CP) is a distribution-free uncertainty quantification tool with rigorous finite-sample guarantees, but its performance relies on the design of the nonconformity measure, which remains challenging for time-series data. Existing methods either overfit on small datasets, or are computationally intensive on long-time-horizon problems and/or large datasets. To overcome these issues, we propose a new parameterization of the score functions and formulate an optimization program to compute the associated parameters. The optimal parameters directly lead to norm-ball regions that constitute minimal-average-radius conformal sets. We then provide a reformulation of the underlying optimization program to enable faster computation. We provide theoretical proofs on both the validity and efficiency of predictors constructed based on the proposed approach. Numerical results on various case studies demonstrate that our method outperforms state-of-the-art methods in terms of efficiency, with much lower computational requirements.

Within this study, we propose a new approach for natural language processing using Bayesian networks to predict and analyze the context and how this approach can be applied to the Community Question Answering domain. We discuss how Bayesian networks can detect semantic relationships and dependencies between entities, and this is connected to different score-based approaches of structure-learning. We compared the Bayesian networks with different score metrics, such as the BIC, BDeu, K2 and Chow-Liu trees. Our proposed approach out-performs the baseline model at the precision metric. We also discuss the influence of penalty terms on the structure of Bayesian networks and how they can be used to analyze the relationships between entities. In addition, we examine the visualization of directed acyclic graphs to analyze semantic relationships. The article further identifies issues with detecting certain semantic classes that are separated in the structure of directed acyclic graphs. Finally, we evaluate potential improvements for the Bayesian network approach.

Next token prediction paradigm has been prevailing for autoregressive models in the era of LLMs. The current default sampling choice for popular LLMs is temperature scaling together with nucleus sampling to balance diversity and coherence. Nevertheless, such approach leads to inferior performance in various NLP tasks when the model is not certain about testing questions. To this end, we propose a brand new training-free decoding strategy, dubbed as Cautious Next Token Prediction (CNTP). In the decoding process, if the model has comparatively high prediction entropy at a certain step, we sample multiple trials starting from the step independently and stop when encountering any punctuation. Then we select the trial with the lowest perplexity score viewed as the most probable and reliable trial path given the model's capacity. The trial number is negatively correlated with the prediction confidence, i.e., the less confident the model is, the more trials it should sample. This is consistent with human beings' behaviour: when feeling uncertain or unconfident, one tends to think more creatively, exploring multiple thinking paths, to cautiously select the path one feels most confident about. Extensive experiments on both LLMs and MLLMs show that our proposed CNTP approach outperforms existing standard decoding strategies consistently by a clear margin. Moreover, the integration of CNTP with self consistency can further improve over vanilla self consistency. We believe our proposed CNTP has the potential to become one of the default choices for LLM decoding. Code is available at https://github.com/wyzjack/CNTP.

By leveraging the text-to-image diffusion priors, score distillation can synthesize 3D contents without paired text-3D training data. Instead of spending hours of online optimization per text prompt, recent studies have been focused on learning a text-to-3D generative network for amortizing multiple text-3D relations, which can synthesize 3D contents in seconds. However, existing score distillation methods are hard to scale up to a large amount of text prompts due to the difficulties in aligning pretrained diffusion prior with the distribution of rendered images from various text prompts. Current state-of-the-arts such as Variational Score Distillation finetune the pretrained diffusion model to minimize the noise prediction error so as to align the distributions, which are however unstable to train and will impair the model's comprehension capability to numerous text prompts. Based on the observation that the diffusion models tend to have lower noise prediction errors at earlier timesteps, we propose Asynchronous Score Distillation (ASD), which minimizes the noise prediction error by shifting the diffusion timestep to earlier ones. ASD is stable to train and can scale up to 100k prompts. It reduces the noise prediction error without changing the weights of pre-trained diffusion model, thus keeping its strong comprehension capability to prompts. We conduct extensive experiments across different 2D diffusion models, including Stable Diffusion and MVDream, and text-to-3D generators, including Hyper-iNGP, 3DConv-Net and Triplane-Transformer. The results demonstrate ASD's effectiveness in stable 3D generator training, high-quality 3D content synthesis, and its superior prompt-consistency, especially under large prompt corpus.

Semiconductor lasers have been rapidly evolving to meet the demands of next-generation optical networks. This imposes much more stringent requirements on the laser reliability, which are dominated by degradation mechanisms (e.g., sudden degradation) limiting the semiconductor laser lifetime. Physics-based approaches are often used to characterize the degradation behavior analytically, yet explicit domain knowledge and accurate mathematical models are required. Building such models can be very challenging due to a lack of a full understanding of the complex physical processes inducing the degradation under various operating conditions. To overcome the aforementioned limitations, we propose a new data-driven approach, extracting useful insights from the operational monitored data to predict the degradation trend without requiring any specific knowledge or using any physical model. The proposed approach is based on an unsupervised technique, a conditional variational autoencoder, and validated using vertical-cavity surface-emitting laser (VCSEL) and tunable edge emitting laser reliability data. The experimental results confirm that our model (i) achieves a good degradation prediction and generalization performance by yielding an F1 score of 95.3%, (ii) outperforms several baseline ML based anomaly detection techniques, and (iii) helps to shorten the aging tests by early predicting the failed devices before the end of the test and thereby saving costs

This paper presents a comprehensive study on resume classification to reduce the time and labor needed to screen an overwhelming number of applications significantly, while improving the selection of suitable candidates. A total of 6,492 resumes are extracted from 24,933 job applications for 252 positions designated into four levels of experience for Clinical Research Coordinators (CRC). Each resume is manually annotated to its most appropriate CRC position by experts through several rounds of triple annotation to establish guidelines. As a result, a high Kappa score of 61% is achieved for inter-annotator agreement. Given this dataset, novel transformer-based classification models are developed for two tasks: the first task takes a resume and classifies it to a CRC level (T1), and the second task takes both a resume and a job description to apply and predicts if the application is suited to the job T2. Our best models using section encoding and multi-head attention decoding give results of 73.3% to T1 and 79.2% to T2. Our analysis shows that the prediction errors are mostly made among adjacent CRC levels, which are hard for even experts to distinguish, implying the practical value of our models in real HR platforms.

While 2D diffusion models generate realistic, high-detail images, 3D shape generation methods like Score Distillation Sampling (SDS) built on these 2D diffusion models produce cartoon-like, over-smoothed shapes. To help explain this discrepancy, we show that the image guidance used in Score Distillation can be understood as the velocity field of a 2D denoising generative process, up to the choice of a noise term. In particular, after a change of variables, SDS resembles a high-variance version of Denoising Diffusion Implicit Models (DDIM) with a differently-sampled noise term: SDS introduces noise i.i.d. randomly at each step, while DDIM infers it from the previous noise predictions. This excessive variance can lead to over-smoothing and unrealistic outputs. We show that a better noise approximation can be recovered by inverting DDIM in each SDS update step. This modification makes SDS's generative process for 2D images almost identical to DDIM. In 3D, it removes over-smoothing, preserves higher-frequency detail, and brings the generation quality closer to that of 2D samplers. Experimentally, our method achieves better or similar 3D generation quality compared to other state-of-the-art Score Distillation methods, all without training additional neural networks or multi-view supervision, and providing useful insights into relationship between 2D and 3D asset generation with diffusion models.

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug approval prediction, their limited interpretability constraints their impact. Here, we present DrugReasoner, a reasoning-based large language model (LLM) built on the LLaMA architecture and fine-tuned with group relative policy optimization (GRPO) to predict the likelihood of small-molecule approval. DrugReasoner integrates molecular descriptors with comparative reasoning against structurally similar approved and unapproved compounds, generating predictions alongside step-by-step rationales and confidence scores. DrugReasoner achieved robust performance with an AUC of 0.732 and an F1 score of 0.729 on the validation set and 0.725 and 0.718 on the test set, respectively. These results outperformed conventional baselines, including logistic regression, support vector machine, and k-nearest neighbors and had competitive performance relative to XGBoost. On an external independent dataset, DrugReasoner outperformed both baseline and the recently developed ChemAP model, achieving an AUC of 0.728 and an F1-score of 0.774, while maintaining high precision and balanced sensitivity, demonstrating robustness in real-world scenarios. These findings demonstrate that DrugReasoner not only delivers competitive predictive accuracy but also enhances transparency through its reasoning outputs, thereby addressing a key bottleneck in AI-assisted drug discovery. This study highlights the potential of reasoning-augmented LLMs as interpretable and effective tools for pharmaceutical decision-making.

Verifiers or reward models are often used to enhance the reasoning performance of large language models (LLMs). A common approach is the Best-of-N method, where N candidate solutions generated by the LLM are ranked by a verifier, and the best one is selected. While LLM-based verifiers are typically trained as discriminative classifiers to score solutions, they do not utilize the text generation capabilities of pretrained LLMs. To overcome this limitation, we instead propose training verifiers using the ubiquitous next-token prediction objective, jointly on verification and solution generation. Compared to standard verifiers, such generative verifiers (GenRM) can benefit from several advantages of LLMs: they integrate seamlessly with instruction tuning, enable chain-of-thought reasoning, and can utilize additional inference-time compute via majority voting for better verification. We demonstrate that when using Gemma-based verifiers on algorithmic and grade-school math reasoning tasks, GenRM outperforms discriminative verifiers and LLM-as-a-Judge, showing a 16-64% improvement in the percentage of problems solved with Best-of-N. Furthermore, we show that GenRM scales favorably across dataset size, model capacity, and inference-time compute.

LLM-as-a-judge has become a promising paradigm for using large language models (LLMs) to evaluate natural language generation (NLG), but the uncertainty of its evaluation remains underexplored. This lack of reliability may limit its deployment in many applications. This work presents the first framework to analyze the uncertainty by offering a prediction interval of LLM-based scoring via conformal prediction. Conformal prediction constructs continuous prediction intervals from a single evaluation run, and we design an ordinal boundary adjustment for discrete rating tasks. We also suggest a midpoint-based score within the interval as a low-bias alternative to raw model score and weighted average. We perform extensive experiments and analysis, which show that conformal prediction can provide valid prediction interval with coverage guarantees. We also explore the usefulness of interval midpoint and judge reprompting for better judgment.

Neural language models encode rich knowledge about entities and their relationships which can be extracted from their representations using probing. Common properties of nouns (e.g., red strawberries, small ant) are, however, more challenging to extract compared to other types of knowledge because they are rarely explicitly stated in texts. We hypothesize this to mainly be the case for perceptual properties which are obvious to the participants in the communication. We propose to extract these properties from images and use them in an ensemble model, in order to complement the information that is extracted from language models. We consider perceptual properties to be more concrete than abstract properties (e.g., interesting, flawless). We propose to use the adjectives' concreteness score as a lever to calibrate the contribution of each source (text vs. images). We evaluate our ensemble model in a ranking task where the actual properties of a noun need to be ranked higher than other non-relevant properties. Our results show that the proposed combination of text and images greatly improves noun property prediction compared to powerful text-based language models.

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses and designing novel biotherapeutic proteins. Deep generative models of protein sequences trained on multiple sequence alignments have been the most successful approaches so far to address these tasks. The performance of these methods is however contingent on the availability of sufficiently deep and diverse alignments for reliable training. Their potential scope is thus limited by the fact many protein families are hard, if not impossible, to align. Large language models trained on massive quantities of non-aligned protein sequences from diverse families address these problems and show potential to eventually bridge the performance gap. We introduce Tranception, a novel transformer architecture leveraging autoregressive predictions and retrieval of homologous sequences at inference to achieve state-of-the-art fitness prediction performance. Given its markedly higher performance on multiple mutants, robustness to shallow alignments and ability to score indels, our approach offers significant gain of scope over existing approaches. To enable more rigorous model testing across a broader range of protein families, we develop ProteinGym -- an extensive set of multiplexed assays of variant effects, substantially increasing both the number and diversity of assays compared to existing benchmarks.

Video prediction is a challenging task. The quality of video frames from current state-of-the-art (SOTA) generative models tends to be poor and generalization beyond the training data is difficult. Furthermore, existing prediction frameworks are typically not capable of simultaneously handling other video-related tasks such as unconditional generation or interpolation. In this work, we devise a general-purpose framework called Masked Conditional Video Diffusion (MCVD) for all of these video synthesis tasks using a probabilistic conditional score-based denoising diffusion model, conditioned on past and/or future frames. We train the model in a manner where we randomly and independently mask all the past frames or all the future frames. This novel but straightforward setup allows us to train a single model that is capable of executing a broad range of video tasks, specifically: future/past prediction -- when only future/past frames are masked; unconditional generation -- when both past and future frames are masked; and interpolation -- when neither past nor future frames are masked. Our experiments show that this approach can generate high-quality frames for diverse types of videos. Our MCVD models are built from simple non-recurrent 2D-convolutional architectures, conditioning on blocks of frames and generating blocks of frames. We generate videos of arbitrary lengths autoregressively in a block-wise manner. Our approach yields SOTA results across standard video prediction and interpolation benchmarks, with computation times for training models measured in 1-12 days using le 4 GPUs. Project page: https://mask-cond-video-diffusion.github.io ; Code : https://github.com/voletiv/mcvd-pytorch

This paper describes Tacotron 2, a neural network architecture for speech synthesis directly from text. The system is composed of a recurrent sequence-to-sequence feature prediction network that maps character embeddings to mel-scale spectrograms, followed by a modified WaveNet model acting as a vocoder to synthesize timedomain waveforms from those spectrograms. Our model achieves a mean opinion score (MOS) of 4.53 comparable to a MOS of 4.58 for professionally recorded speech. To validate our design choices, we present ablation studies of key components of our system and evaluate the impact of using mel spectrograms as the input to WaveNet instead of linguistic, duration, and F_0 features. We further demonstrate that using a compact acoustic intermediate representation enables significant simplification of the WaveNet architecture.

This work presents HeadArtist for 3D head generation from text descriptions. With a landmark-guided ControlNet serving as the generative prior, we come up with an efficient pipeline that optimizes a parameterized 3D head model under the supervision of the prior distillation itself. We call such a process self score distillation (SSD). In detail, given a sampled camera pose, we first render an image and its corresponding landmarks from the head model, and add some particular level of noise onto the image. The noisy image, landmarks, and text condition are then fed into the frozen ControlNet twice for noise prediction. Two different classifier-free guidance (CFG) weights are applied during these two predictions, and the prediction difference offers a direction on how the rendered image can better match the text of interest. Experimental results suggest that our approach delivers high-quality 3D head sculptures with adequate geometry and photorealistic appearance, significantly outperforming state-ofthe-art methods. We also show that the same pipeline well supports editing the generated heads, including both geometry deformation and appearance change.

Due to the powerful vision-language reasoning and generalization abilities, multimodal large language models (MLLMs) have garnered significant attention in the field of end-to-end (E2E) autonomous driving. However, their application to closed-loop systems remains underexplored, and current MLLM-based methods have not shown clear superiority to mainstream E2E imitation learning approaches. In this work, we propose ReasonPlan, a novel MLLM fine-tuning framework designed for closed-loop driving through holistic reasoning with a self-supervised Next Scene Prediction task and supervised Decision Chain-of-Thought process. This dual mechanism encourages the model to align visual representations with actionable driving context, while promoting interpretable and causally grounded decision making. We curate a planning-oriented decision reasoning dataset, namely PDR, comprising 210k diverse and high-quality samples. Our method outperforms the mainstream E2E imitation learning method by a large margin of 19% L2 and 16.1 driving score on Bench2Drive benchmark. Furthermore, ReasonPlan demonstrates strong zero-shot generalization on unseen DOS benchmark, highlighting its adaptability in handling zero-shot corner cases. Code and dataset will be found in https://github.com/Liuxueyi/ReasonPlan.

Autoregressive models, built based on the Next Token Prediction (NTP) paradigm, show great potential in developing a unified framework that integrates both language and vision tasks. In this work, we rethink the NTP for autoregressive image generation and propose a novel Next Patch Prediction (NPP) paradigm. Our key idea is to group and aggregate image tokens into patch tokens containing high information density. With patch tokens as a shorter input sequence, the autoregressive model is trained to predict the next patch, thereby significantly reducing the computational cost. We further propose a multi-scale coarse-to-fine patch grouping strategy that exploits the natural hierarchical property of image data. Experiments on a diverse range of models (100M-1.4B parameters) demonstrate that the next patch prediction paradigm could reduce the training cost to around 0.6 times while improving image generation quality by up to 1.0 FID score on the ImageNet benchmark. We highlight that our method retains the original autoregressive model architecture without introducing additional trainable parameters or specifically designing a custom image tokenizer, thus ensuring flexibility and seamless adaptation to various autoregressive models for visual generation.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

The Quantum-Inspired Stacked Integrated Concept Graph Model (QISICGM) is an innovative machine learning framework that harnesses quantum-inspired techniques to predict diabetes risk with exceptional accuracy and efficiency. Utilizing the PIMA Indians Diabetes dataset augmented with 2,000 synthetic samples to mitigate class imbalance (total: 2,768 samples, 1,949 positives), QISICGM integrates a self-improving concept graph with a stacked ensemble comprising Random Forests (RF), Extra Trees (ET), transformers, convolutional neural networks (CNNs), and feed-forward neural networks (FFNNs). This approach achieves an out-of-fold (OOF) F1 score of 0.8933 and an AUC of 0.8699, outperforming traditional methods. Quantum inspired elements, such as phase feature mapping and neighborhood sequence modeling, enrich feature representations, enabling CPU-efficient inference at 8.5 rows per second. This paper presents a detailed architecture, theoretical foundations, code insights, and performance evaluations, including visualizations from the outputs subfolder. The open-source implementation (v1.0.0) is available at https://github.com/keninayoung/QISICGM, positioning QISICGM as a potential benchmark for AI-assisted clinical triage in diabetes and beyond. Ultimately, this work emphasizes trustworthy AI through calibration, interpretability, and open-source reproducibility.

Government fiscal policies, particularly annual union budgets, exert significant influence on financial markets. However, real-time analysis of budgetary impacts on sector-specific equity performance remains methodologically challenging and largely unexplored. This study proposes a framework to systematically identify and rank sectors poised to benefit from India's Union Budget announcements. The framework addresses two core tasks: (1) multi-label classification of excerpts from budget transcripts into 81 predefined economic sectors, and (2) performance ranking of these sectors. Leveraging a comprehensive corpus of Indian Union Budget transcripts from 1947 to 2025, we introduce BASIR (Budget-Assisted Sectoral Impact Ranking), an annotated dataset mapping excerpts from budgetary transcripts to sectoral impacts. Our architecture incorporates fine-tuned embeddings for sector identification, coupled with language models that rank sectors based on their predicted performances. Our results demonstrate 0.605 F1-score in sector classification, and 0.997 NDCG score in predicting ranks of sectors based on post-budget performances. The methodology enables investors and policymakers to quantify fiscal policy impacts through structured, data-driven insights, addressing critical gaps in manual analysis. The annotated dataset has been released under CC-BY-NC-SA-4.0 license to advance computational economics research.

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

Adverse drug events (ADEs) significantly impact clinical research, causing many clinical trial failures. ADE prediction is key for developing safer medications and enhancing patient outcomes. To support this effort, we introduce CT-ADE, a dataset for multilabel predictive modeling of ADEs in monopharmacy treatments. CT-ADE integrates data from 2,497 unique drugs, encompassing 168,984 drug-ADE pairs extracted from clinical trials, annotated with patient and contextual information, and comprehensive ADE concepts standardized across multiple levels of the MedDRA ontology. Preliminary analyses with large language models (LLMs) achieved F1-scores up to 55.90%. Models using patient and contextual information showed F1-score improvements of 21%-38% over models using only chemical structure data. Our results highlight the importance of target population and treatment regimens in the predictive modeling of ADEs, offering greater performance gains than LLM domain specialization and scaling. CT-ADE provides an essential tool for researchers aiming to leverage artificial intelligence and machine learning to enhance patient safety and minimize the impact of ADEs on pharmaceutical research and development. The dataset is publicly accessible at https://github.com/ds4dh/CT-ADE.

Predictor-based methods have substantially enhanced Neural Architecture Search (NAS) optimization. The efficacy of these predictors is largely influenced by the method of encoding neural network architectures. While traditional encodings used an adjacency matrix describing the graph structure of a neural network, novel encodings embrace a variety of approaches from unsupervised pretraining of latent representations to vectors of zero-cost proxies. In this paper, we categorize and investigate neural encodings from three main types: structural, learned, and score-based. Furthermore, we extend these encodings and introduce unified encodings, that extend NAS predictors to multiple search spaces. Our analysis draws from experiments conducted on over 1.5 million neural network architectures on NAS spaces such as NASBench-101 (NB101), NB201, NB301, Network Design Spaces (NDS), and TransNASBench-101. Building on our study, we present our predictor FLAN: Flow Attention for NAS. FLAN integrates critical insights on predictor design, transfer learning, and unified encodings to enable more than an order of magnitude cost reduction for training NAS accuracy predictors. Our implementation and encodings for all neural networks are open-sourced at https://github.com/abdelfattah-lab/flan_nas{https://github.com/abdelfattah-lab/flan\_nas}.

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a step-wise assembly fashion using provided dimer structures and predicted protein-protein interactions~(PPIs). However, due to the biological gap in the formation of dimers and larger multimers, directly applying PPI prediction techniques can often cause a poor generalization to the MSP task. To address this challenge, we aim to extend the PPI knowledge to multimers of different scales~(i.e., chain numbers). Specifically, we propose \textsc{PromptMSP}, a pre-training and Prompt tuning framework for Multimer Structure Prediction. First, we tailor the source and target tasks for effective PPI knowledge learning and efficient inference, respectively. We design PPI-inspired prompt learning to narrow the gaps of two task formats and generalize the PPI knowledge to multimers of different scales. We provide a meta-learning strategy to learn a reliable initialization of the prompt model, enabling our prompting framework to effectively adapt to limited data for large-scale multimers. Empirically, we achieve both significant accuracy (RMSD and TM-Score) and efficiency improvements compared to advanced MSP models. The code, data and checkpoints are released at https://github.com/zqgao22/PromptMSP.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at https://github.com/lujiarui/Str2Str

An accurate solar wind speed model is important for space weather predictions, catastrophic event warnings, and other issues concerning solar wind - magnetosphere interaction. In this work, we construct a model based on convolutional neural network (CNN) and Potential Field Source Surface (PFSS) magnetograms, considering a solar wind source surface of R_{rm SS}=2.5R_odot, aiming to predict the solar wind speed at the Lagrange 1 (L1) point of the Sun-Earth system. The input of our model consists of four Potential Field Source Surface (PFSS) magnetograms at R_{rm SS}, which are 7, 6, 5, and 4 days before the target epoch. Reduced magnetograms are used to promote the model's efficiency. We use the Global Oscillation Network Group (GONG) photospheric magnetograms and the potential field extrapolation model to generate PFSS magnetograms at the source surface. The model provides predictions of the continuous test dataset with an averaged correlation coefficient (CC) of 0.52 and a root mean square error (RMSE) of 80.8 km/s in an eight-fold validation training scheme with the time resolution of the data as small as one hour. The model also has the potential to forecast high speed streams of the solar wind, which can be quantified with a general threat score of 0.39.

The integration of knowledge graphs with deep learning is thriving in improving the performance of various natural language processing (NLP) tasks. In this paper, we focus on knowledge-infused link prediction and question answering using language models, T5, and BLOOM across three domains: Aviation, Movie, and Web. In this context, we infuse knowledge in large and small language models and study their performance, and find the performance to be similar. For the link prediction task on the Aviation Knowledge Graph, we obtain a 0.2 hits@1 score using T5-small, T5-base, T5-large, and BLOOM. Using template-based scripts, we create a set of 1 million synthetic factoid QA pairs in the aviation domain from National Transportation Safety Board (NTSB) reports. On our curated QA pairs, the three models of T5 achieve a 0.7 hits@1 score. We validate out findings with the paired student t-test and Cohen's kappa scores. For link prediction on Aviation Knowledge Graph using T5-small and T5-large, we obtain a Cohen's kappa score of 0.76, showing substantial agreement between the models. Thus, we infer that small language models perform similar to large language models with the infusion of knowledge.

The human driver is no longer the only one concerned with the complexity of the driving scenarios. Autonomous vehicles (AV) are similarly becoming involved in the process. Nowadays, the development of AVs in urban places raises essential safety concerns for vulnerable road users (VRUs) such as pedestrians. Therefore, to make the roads safer, it is critical to classify and predict the pedestrians' future behavior. In this paper, we present a framework based on multiple variations of the Transformer models able to infer predict the pedestrian street-crossing decision-making based on the dynamics of its initiated trajectory. We showed that using solely bounding boxes as input features can outperform the previous state-of-the-art results by reaching a prediction accuracy of 91\% and an F1-score of 0.83 on the PIE dataset. In addition, we introduced a large-size simulated dataset (CP2A) using CARLA for action prediction. Our model has similarly reached high accuracy (91\%) and F1-score (0.91) on this dataset. Interestingly, we showed that pre-training our Transformer model on the CP2A dataset and then fine-tuning it on the PIE dataset is beneficial for the action prediction task. Finally, our model's results are successfully supported by the "human attention to bounding boxes" experiment which we created to test humans ability for pedestrian action prediction without the need for environmental context. The code for the dataset and the models is available at: https://github.com/linaashaji/Action_Anticipation

In this paper we show how using satellite images can improve the accuracy of housing price estimation models. Using Los Angeles County's property assessment dataset, by transferring learning from an Inception-v3 model pretrained on ImageNet, we could achieve an improvement of ~10% in R-squared score compared to two baseline models that only use non-image features of the house.

Roman Numeral analysis is the important task of identifying chords and their functional context in pieces of tonal music. This paper presents a new approach to automatic Roman Numeral analysis in symbolic music. While existing techniques rely on an intermediate lossy representation of the score, we propose a new method based on Graph Neural Networks (GNNs) that enable the direct description and processing of each individual note in the score. The proposed architecture can leverage notewise features and interdependencies between notes but yield onset-wise representation by virtue of our novel edge contraction algorithm. Our results demonstrate that ChordGNN outperforms existing state-of-the-art models, achieving higher accuracy in Roman Numeral analysis on the reference datasets. In addition, we investigate variants of our model using proposed techniques such as NADE, and post-processing of the chord predictions. The full source code for this work is available at https://github.com/manoskary/chordgnn

While neural networks allow highly accurate predictions in many tasks, their lack of robustness towards even slight input perturbations often hampers their deployment. Adversarial attacks such as the seminal projected gradient descent (PGD) offer an effective means to evaluate a model's robustness and dedicated solutions have been proposed for attacks on semantic segmentation or optical flow estimation. While they attempt to increase the attack's efficiency, a further objective is to balance its effect, so that it acts on the entire image domain instead of isolated point-wise predictions. This often comes at the cost of optimization stability and thus efficiency. Here, we propose CosPGD, an attack that encourages more balanced errors over the entire image domain while increasing the attack's overall efficiency. To this end, CosPGD leverages a simple alignment score computed from any pixel-wise prediction and its target to scale the loss in a smooth and fully differentiable way. It leads to efficient evaluations of a model's robustness for semantic segmentation as well as regression models (such as optical flow, disparity estimation, or image restoration), and it allows it to outperform the previous SotA attack on semantic segmentation. We provide code for the CosPGD algorithm and example usage at https://github.com/shashankskagnihotri/cospgd.

Bronchopulmonary dysplasia (BPD) is a chronic lung disease affecting 35% of extremely low birth weight infants. Defined by oxygen dependence at 36 weeks postmenstrual age, it causes lifelong respiratory complications. However, preventive interventions carry severe risks, including neurodevelopmental impairment, ventilator-induced lung injury, and systemic complications. Therefore, early BPD prognosis and prediction of BPD outcome is crucial to avoid unnecessary toxicity in low risk infants. Admission radiographs of extremely preterm infants are routinely acquired within 24h of life and could serve as a non-invasive prognostic tool. In this work, we developed and investigated a deep learning approach using chest X-rays from 163 extremely low-birth-weight infants (leq32 weeks gestation, 401-999g) obtained within 24 hours of birth. We fine-tuned a ResNet-50 pretrained specifically on adult chest radiographs, employing progressive layer freezing with discriminative learning rates to prevent overfitting and evaluated a CutMix augmentation and linear probing. For moderate/severe BPD outcome prediction, our best performing model with progressive freezing, linear probing and CutMix achieved an AUROC of 0.78 pm 0.10, balanced accuracy of 0.69 pm 0.10, and an F1-score of 0.67 pm 0.11. In-domain pre-training significantly outperformed ImageNet initialization (p = 0.031) which confirms domain-specific pretraining to be important for BPD outcome prediction. Routine IRDS grades showed limited prognostic value (AUROC 0.57 pm 0.11), confirming the need of learned markers. Our approach demonstrates that domain-specific pretraining enables accurate BPD prediction from routine day-1 radiographs. Through progressive freezing and linear probing, the method remains computationally feasible for site-level implementation and future federated learning deployments.

Accurate estimation of brain infarction (i.e., irreversibly damaged tissue) is critical for guiding treatment decisions in acute ischemic stroke. Reliable infarct prediction informs key clinical interventions, including the need for patient transfer to comprehensive stroke centers, the potential benefit of additional reperfusion attempts during mechanical thrombectomy, decisions regarding secondary neuroprotective treatments, and ultimately, prognosis of clinical outcomes. This work introduces the Ischemic Stroke Lesion Segmentation (ISLES) 2024 challenge, which focuses on the prediction of final infarct volumes from pre-interventional acute stroke imaging and clinical data. ISLES24 provides a comprehensive, multimodal setting where participants can leverage all clinically and practically available data, including full acute CT imaging, sub-acute follow-up MRI, and structured clinical information, across a train set of 150 cases. On the hidden test set of 98 cases, the top-performing model, a multimodal nnU-Net-based architecture, achieved a Dice score of 0.285 (+/- 0.213) and an absolute volume difference of 21.2 (+/- 37.2) mL, underlining the significant challenges posed by this task and the need for further advances in multimodal learning. This work makes two primary contributions: first, we establish a standardized, clinically realistic benchmark for post-treatment infarct prediction, enabling systematic evaluation of multimodal algorithmic strategies on a longitudinal stroke dataset; second, we analyze current methodological limitations and outline key research directions to guide the development of next-generation infarct prediction models.

Recent progress has shown that large-scale pre-training using contrastive image-text pairs can be a promising alternative for high-quality visual representation learning from natural language supervision. Benefiting from a broader source of supervision, this new paradigm exhibits impressive transferability to downstream classification tasks and datasets. However, the problem of transferring the knowledge learned from image-text pairs to more complex dense prediction tasks has barely been visited. In this work, we present a new framework for dense prediction by implicitly and explicitly leveraging the pre-trained knowledge from CLIP. Specifically, we convert the original image-text matching problem in CLIP to a pixel-text matching problem and use the pixel-text score maps to guide the learning of dense prediction models. By further using the contextual information from the image to prompt the language model, we are able to facilitate our model to better exploit the pre-trained knowledge. Our method is model-agnostic, which can be applied to arbitrary dense prediction systems and various pre-trained visual backbones including both CLIP models and ImageNet pre-trained models. Extensive experiments demonstrate the superior performance of our methods on semantic segmentation, object detection, and instance segmentation tasks. Code is available at https://github.com/raoyongming/DenseCLIP

Cognitively inspired Natural Language Pro-cessing uses human-derived behavioral datalike eye-tracking data, which reflect the seman-tic representations of language in the humanbrain to augment the neural nets to solve arange of tasks spanning syntax and semanticswith the aim of teaching machines about lan-guage processing mechanisms. In this paper,we use the ZuCo 1.0 and ZuCo 2.0 dataset con-taining the eye-gaze features to explore differ-ent linguistic models to directly predict thesegaze features for each word with respect to itssentence. We tried different neural networkmodels with the words as inputs to predict thetargets. And after lots of experimentation andfeature engineering finally devised a novel ar-chitecture consisting of RoBERTa Token Clas-sifier with a dense layer on top for languagemodeling and a stand-alone model consistingof dense layers followed by a transformer layerfor the extra features we engineered. Finally,we took the mean of the outputs of both thesemodels to make the final predictions. We eval-uated the models using mean absolute error(MAE) and the R2 score for each target.

In this research, we investigate techniques to detect hate speech in movies. We introduce a new dataset collected from the subtitles of six movies, where each utterance is annotated either as hate, offensive or normal. We apply transfer learning techniques of domain adaptation and fine-tuning on existing social media datasets, namely from Twitter and Fox News. We evaluate different representations, i.e., Bag of Words (BoW), Bi-directional Long short-term memory (Bi-LSTM), and Bidirectional Encoder Representations from Transformers (BERT) on 11k movie subtitles. The BERT model obtained the best macro-averaged F1-score of 77%. Hence, we show that transfer learning from the social media domain is efficacious in classifying hate and offensive speech in movies through subtitles.

In this work, we explore a multimodal semi-supervised learning approach for punctuation prediction by learning representations from large amounts of unlabelled audio and text data. Conventional approaches in speech processing typically use forced alignment to encoder per frame acoustic features to word level features and perform multimodal fusion of the resulting acoustic and lexical representations. As an alternative, we explore attention based multimodal fusion and compare its performance with forced alignment based fusion. Experiments conducted on the Fisher corpus show that our proposed approach achieves ~6-9% and ~3-4% absolute improvement (F1 score) over the baseline BLSTM model on reference transcripts and ASR outputs respectively. We further improve the model robustness to ASR errors by performing data augmentation with N-best lists which achieves up to an additional ~2-6% improvement on ASR outputs. We also demonstrate the effectiveness of semi-supervised learning approach by performing ablation study on various sizes of the corpus. When trained on 1 hour of speech and text data, the proposed model achieved ~9-18% absolute improvement over baseline model.

We present a novel supervised word alignment method based on cross-language span prediction. We first formalize a word alignment problem as a collection of independent predictions from a token in the source sentence to a span in the target sentence. As this is equivalent to a SQuAD v2.0 style question answering task, we then solve this problem by using multilingual BERT, which is fine-tuned on a manually created gold word alignment data. We greatly improved the word alignment accuracy by adding the context of the token to the question. In the experiments using five word alignment datasets among Chinese, Japanese, German, Romanian, French, and English, we show that the proposed method significantly outperformed previous supervised and unsupervised word alignment methods without using any bitexts for pretraining. For example, we achieved an F1 score of 86.7 for the Chinese-English data, which is 13.3 points higher than the previous state-of-the-art supervised methods.

Machine learning models trained on Earth observation data, such as satellite imagery, have demonstrated significant promise in predicting household-level wealth indices, enabling the creation of high-resolution wealth maps that can be leveraged across multiple causal trials. However, because standard training objectives prioritize overall predictive accuracy, these predictions inherently suffer from shrinkage toward the mean, leading to attenuated estimates of causal treatment effects and limiting their utility in policy. Existing debiasing methods, such as Prediction-Powered Inference, can handle this attenuation bias but require additional fresh ground-truth data at the downstream stage of causal inference, which restricts their applicability in data-scarce environments. Here, we introduce and evaluate two correction methods -- linear calibration correction and Tweedie's correction -- that substantially reduce prediction bias without relying on newly collected labeled data. Linear calibration corrects bias through a straightforward linear transformation derived from held-out calibration data, whereas Tweedie's correction leverages empirical Bayes principles to directly address shrinkage-induced biases by exploiting score functions derived from the model's learning patterns. Through analytical exercises and experiments using Demographic and Health Survey data, we demonstrate that the proposed methods meet or outperform existing approaches that either require (a) adjustments to training pipelines or (b) additional labeled data. These approaches may represent a promising avenue for improving the reliability of causal inference when direct outcome measures are limited or unavailable, enabling a "one map, many trials" paradigm where a single upstream data creation team produces predictions usable by many downstream teams across diverse ML pipelines.

Clinical predictive models often rely on patients' electronic health records (EHR), but integrating medical knowledge to enhance predictions and decision-making is challenging. This is because personalized predictions require personalized knowledge graphs (KGs), which are difficult to generate from patient EHR data. To address this, we propose GraphCare, an open-world framework that uses external KGs to improve EHR-based predictions. Our method extracts knowledge from large language models (LLMs) and external biomedical KGs to build patient-specific KGs, which are then used to train our proposed Bi-attention AugmenTed (BAT) graph neural network (GNN) for healthcare predictions. On two public datasets, MIMIC-III and MIMIC-IV, GraphCare surpasses baselines in four vital healthcare prediction tasks: mortality, readmission, length of stay (LOS), and drug recommendation. On MIMIC-III, it boosts AUROC by 17.6\% and 6.6\% for mortality and readmission, and F1-score by 7.9\% and 10.8\% for LOS and drug recommendation, respectively. Notably, GraphCare demonstrates a substantial edge in scenarios with limited data availability. Our findings highlight the potential of using external KGs in healthcare prediction tasks and demonstrate the promise of GraphCare in generating personalized KGs for promoting personalized medicine.

Existing Score-Based Models (SBMs) can be categorized into constrained SBMs (CSBMs) or unconstrained SBMs (USBMs) according to their parameterization approaches. CSBMs model probability density functions as Boltzmann distributions, and assign their predictions as the negative gradients of some scalar-valued energy functions. On the other hand, USBMs employ flexible architectures capable of directly estimating scores without the need to explicitly model energy functions. In this paper, we demonstrate that the architectural constraints of CSBMs may limit their modeling ability. In addition, we show that USBMs' inability to preserve the property of conservativeness may lead to degraded performance in practice. To address the above issues, we propose Quasi-Conservative Score-Based Models (QCSBMs) for keeping the advantages of both CSBMs and USBMs. Our theoretical derivations demonstrate that the training objective of QCSBMs can be efficiently integrated into the training processes by leveraging the Hutchinson's trace estimator. In addition, our experimental results on the CIFAR-10, CIFAR-100, ImageNet, and SVHN datasets validate the effectiveness of QCSBMs. Finally, we justify the advantage of QCSBMs using an example of a one-layered autoencoder.

Diffusion models are a new class of generative models, and have dramatically promoted image generation with unprecedented quality and diversity. Existing diffusion models mainly try to reconstruct input image from a corrupted one with a pixel-wise or feature-wise constraint along spatial axes. However, such point-based reconstruction may fail to make each predicted pixel/feature fully preserve its neighborhood context, impairing diffusion-based image synthesis. As a powerful source of automatic supervisory signal, context has been well studied for learning representations. Inspired by this, we for the first time propose ConPreDiff to improve diffusion-based image synthesis with context prediction. We explicitly reinforce each point to predict its neighborhood context (i.e., multi-stride features/tokens/pixels) with a context decoder at the end of diffusion denoising blocks in training stage, and remove the decoder for inference. In this way, each point can better reconstruct itself by preserving its semantic connections with neighborhood context. This new paradigm of ConPreDiff can generalize to arbitrary discrete and continuous diffusion backbones without introducing extra parameters in sampling procedure. Extensive experiments are conducted on unconditional image generation, text-to-image generation and image inpainting tasks. Our ConPreDiff consistently outperforms previous methods and achieves a new SOTA text-to-image generation results on MS-COCO, with a zero-shot FID score of 6.21.

Interpretability is essential for machine learning models to be trusted and deployed in critical domains. However, existing methods for interpreting text models are often complex, lack mathematical foundations, and their performance is not guaranteed. In this paper, we propose FRED (Faithful and Robust Explainer for textual Documents), a novel method for interpreting predictions over text. FRED offers three key insights to explain a model prediction: (1) it identifies the minimal set of words in a document whose removal has the strongest influence on the prediction, (2) it assigns an importance score to each token, reflecting its influence on the model's output, and (3) it provides counterfactual explanations by generating examples similar to the original document, but leading to a different prediction. We establish the reliability of FRED through formal definitions and theoretical analyses on interpretable classifiers. Additionally, our empirical evaluation against state-of-the-art methods demonstrates the effectiveness of FRED in providing insights into text models.

Business Intelligence (BI) is crucial in modern enterprises and billion-dollar business. Traditionally, technical experts like database administrators would manually prepare BI-models (e.g., in star or snowflake schemas) that join tables in data warehouses, before less-technical business users can run analytics using end-user dashboarding tools. However, the popularity of self-service BI (e.g., Tableau and Power-BI) in recent years creates a strong demand for less technical end-users to build BI-models themselves. We develop an Auto-BI system that can accurately predict BI models given a set of input tables, using a principled graph-based optimization problem we propose called k-Min-Cost-Arborescence (k-MCA), which holistically considers both local join prediction and global schema-graph structures, leveraging a graph-theoretical structure called arborescence. While we prove k-MCA is intractable and inapproximate in general, we develop novel algorithms that can solve k-MCA optimally, which is shown to be efficient in practice with sub-second latency and can scale to the largest BI-models we encounter (with close to 100 tables). Auto-BI is rigorously evaluated on a unique dataset with over 100K real BI models we harvested, as well as on 4 popular TPC benchmarks. It is shown to be both efficient and accurate, achieving over 0.9 F1-score on both real and synthetic benchmarks.

Stock Price Trend Prediction (SPTP) based on Limit Order Book (LOB) data is a fundamental challenge in financial markets. Despite advances in deep learning, existing models fail to generalize across different market conditions and struggle to reliably predict short-term trends. Surprisingly, by adapting a simple MLP-based architecture to LOB, we show that we surpass SoTA performance; thus, challenging the necessity of complex architectures. Unlike past work that shows robustness issues, we propose TLOB, a transformer-based model that uses a dual attention mechanism to capture spatial and temporal dependencies in LOB data. This allows it to adaptively focus on the market microstructure, making it particularly effective for longer-horizon predictions and volatile market conditions. We also introduce a new labeling method that improves on previous ones, removing the horizon bias. We evaluate TLOB's effectiveness using the established FI-2010 benchmark, which exceeds the state-of-the-art by an average of 3.7 F1-score(\%). Additionally, TLOB shows improvements on Tesla and Intel with a 1.3 and 7.7 increase in F1-score(\%), respectively. Additionally, we empirically show how stock price predictability has declined over time (-6.68 absolute points in F1-score(\%)), highlighting the growing market efficiencies. Predictability must be considered in relation to transaction costs, so we experimented with defining trends using an average spread, reflecting the primary transaction cost. The resulting performance deterioration underscores the complexity of translating trend classification into profitable trading strategies. We argue that our work provides new insights into the evolving landscape of stock price trend prediction and sets a strong foundation for future advancements in financial AI. We release the code at https://github.com/LeonardoBerti00/TLOB.

Background: This study aimed to evaluate and compare the performance of classical machine learning models (CMLs) and large language models (LLMs) in predicting mortality associated with COVID-19 by utilizing a high-dimensional tabular dataset. Materials and Methods: We analyzed data from 9,134 COVID-19 patients collected across four hospitals. Seven CML models, including XGBoost and random forest (RF), were trained and evaluated. The structured data was converted into text for zero-shot classification by eight LLMs, including GPT-4 and Mistral-7b. Additionally, Mistral-7b was fine-tuned using the QLoRA approach to enhance its predictive capabilities. Results: Among the CML models, XGBoost and RF achieved the highest accuracy, with F1 scores of 0.87 for internal validation and 0.83 for external validation. In the LLM category, GPT-4 was the top performer with an F1 score of 0.43. Fine-tuning Mistral-7b significantly improved its recall from 1% to 79%, resulting in an F1 score of 0.74, which was stable during external validation. Conclusion: While LLMs show moderate performance in zero-shot classification, fine-tuning can significantly enhance their effectiveness, potentially aligning them closer to CML models. However, CMLs still outperform LLMs in high-dimensional tabular data tasks.

Reasoning over long sequences of observations and actions is essential for many robotic tasks. Yet, learning effective long-context policies from demonstrations remains challenging. As context length increases, training becomes increasingly expensive due to rising memory demands, and policy performance often degrades as a result of spurious correlations. Recent methods typically sidestep these issues by truncating context length, discarding historical information that may be critical for subsequent decisions. In this paper, we propose an alternative approach that explicitly regularizes the retention of past information. We first revisit the copycat problem in imitation learning and identify an opposite challenge in recent diffusion policies: rather than over-relying on prior actions, they often fail to capture essential dependencies between past and future actions. To address this, we introduce Past-Token Prediction (PTP), an auxiliary task in which the policy learns to predict past action tokens alongside future ones. This regularization significantly improves temporal modeling in the policy head, with minimal reliance on visual representations. Building on this observation, we further introduce a multistage training strategy: pre-train the visual encoder with short contexts, and fine-tune the policy head using cached long-context embeddings. This strategy preserves the benefits of PTP while greatly reducing memory and computational overhead. Finally, we extend PTP into a self-verification mechanism at test time, enabling the policy to score and select candidates consistent with past actions during inference. Experiments across four real-world and six simulated tasks demonstrate that our proposed method improves the performance of long-context diffusion policies by 3x and accelerates policy training by more than 10x.

Cell instance segmentation (CIS) is crucial for identifying individual cell morphologies in histopathological images, providing valuable insights for biological and medical research. While unsupervised CIS (UCIS) models aim to reduce the heavy reliance on labor-intensive image annotations, they fail to accurately capture cell boundaries, causing missed detections and poor performance. Recognizing the absence of error-free instances as a key limitation, we present COIN (COnfidence score-guided INstance distillation), a novel annotation-free framework with three key steps: (1) Increasing the sensitivity for the presence of error-free instances via unsupervised semantic segmentation with optimal transport, leveraging its ability to discriminate spatially minor instances, (2) Instance-level confidence scoring to measure the consistency between model prediction and refined mask and identify highly confident instances, offering an alternative to ground truth annotations, and (3) Progressive expansion of confidence with recursive self-distillation. Extensive experiments across six datasets show COIN outperforming existing UCIS methods, even surpassing semi- and weakly-supervised approaches across all metrics on the MoNuSeg and TNBC datasets. The code is available at https://github.com/shjo-april/COIN.

Objective: To improve prediction of Chronic Kidney Disease (CKD) progression to End Stage Renal Disease (ESRD) using machine learning (ML) and deep learning (DL) models applied to an integrated clinical and claims dataset of varying observation windows, supported by explainable AI (XAI) to enhance interpretability and reduce bias. Materials and Methods: We utilized data about 10,326 CKD patients, combining their clinical and claims information from 2009 to 2018. Following data preprocessing, cohort identification, and feature engineering, we evaluated multiple statistical, ML and DL models using data extracted from five distinct observation windows. Feature importance and Shapley value analysis were employed to understand key predictors. Models were tested for robustness, clinical relevance, misclassification errors and bias issues. Results: Integrated data models outperformed those using single data sources, with the Long Short-Term Memory (LSTM) model achieving the highest AUC (0.93) and F1 score (0.65). A 24-month observation window was identified as optimal for balancing early detection and prediction accuracy. The 2021 eGFR equation improved prediction accuracy and reduced racial bias, notably for African American patients. Discussion: Improved ESRD prediction accuracy, results interpretability and bias mitigation strategies presented in this study have the potential to significantly enhance CKD and ESRD management, support targeted early interventions and reduce healthcare disparities. Conclusion: This study presents a robust framework for predicting ESRD outcomes in CKD patients, improving clinical decision-making and patient care through multi-sourced, integrated data and AI/ML methods. Future research will expand data integration and explore the application of this framework to other chronic diseases.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

In this paper, we study the problem of inference in high-order structured prediction tasks. In the context of Markov random fields, the goal of a high-order inference task is to maximize a score function on the space of labels, and the score function can be decomposed into sum of unary and high-order potentials. We apply a generative model approach to study the problem of high-order inference, and provide a two-stage convex optimization algorithm for exact label recovery. We also provide a new class of hypergraph structural properties related to hyperedge expansion that drives the success in general high-order inference problems. Finally, we connect the performance of our algorithm and the hyperedge expansion property using a novel hypergraph Cheeger-type inequality.

Conventional wisdom suggests that autoregressive models are used to process discrete data. When applied to continuous modalities such as visual data, Visual AutoRegressive modeling (VAR) typically resorts to quantization-based approaches to cast the data into a discrete space, which can introduce significant information loss. To tackle this issue, we introduce a Continuous VAR framework that enables direct visual autoregressive generation without vector quantization. The underlying theoretical foundation is strictly proper scoring rules, which provide powerful statistical tools capable of evaluating how well a generative model approximates the true distribution. Within this framework, all we need is to select a strictly proper score and set it as the training objective to optimize. We primarily explore a class of training objectives based on the energy score, which is likelihood-free and thus overcomes the difficulty of making probabilistic predictions in the continuous space. Previous efforts on continuous autoregressive generation, such as GIVT and diffusion loss, can also be derived from our framework using other strictly proper scores. Source code: https://github.com/shaochenze/EAR.

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.80, inception score (IS) from 80.4 to 356.4, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

Recent advances in 3D neural representations and instance-level editing models have enabled the efficient creation of high-quality 3D content. However, achieving precise local 3D edits remains challenging, especially for Gaussian Splatting, due to inconsistent multi-view 2D part segmentations and inherently ambiguous nature of Score Distillation Sampling (SDS) loss. To address these limitations, we propose RoMaP, a novel local 3D Gaussian editing framework that enables precise and drastic part-level modifications. First, we introduce a robust 3D mask generation module with our 3D-Geometry Aware Label Prediction (3D-GALP), which uses spherical harmonics (SH) coefficients to model view-dependent label variations and soft-label property, yielding accurate and consistent part segmentations across viewpoints. Second, we propose a regularized SDS loss that combines the standard SDS loss with additional regularizers. In particular, an L1 anchor loss is introduced via our Scheduled Latent Mixing and Part (SLaMP) editing method, which generates high-quality part-edited 2D images and confines modifications only to the target region while preserving contextual coherence. Additional regularizers, such as Gaussian prior removal, further improve flexibility by allowing changes beyond the existing context, and robust 3D masking prevents unintended edits. Experimental results demonstrate that our RoMaP achieves state-of-the-art local 3D editing on both reconstructed and generated Gaussian scenes and objects qualitatively and quantitatively, making it possible for more robust and flexible part-level 3D Gaussian editing. Code is available at https://janeyeon.github.io/romap.

Autoregressive models have shown remarkable success in image generation by adapting sequential prediction techniques from language modeling. However, applying these approaches to images requires discretizing continuous pixel data through vector quantization methods like VQ-VAE. To alleviate the quantization errors that existed in VQ-VAE, recent works tend to use larger codebooks. However, this will accordingly expand vocabulary size, complicating the autoregressive modeling task. This paper aims to find a way to enjoy the benefits of large codebooks without making autoregressive modeling more difficult. Through empirical investigation, we discover that tokens with similar codeword representations produce similar effects on the final generated image, revealing significant redundancy in large codebooks. Based on this insight, we propose to predict tokens from coarse to fine (CTF), realized by assigning the same coarse label for similar tokens. Our framework consists of two stages: (1) an autoregressive model that sequentially predicts coarse labels for each token in the sequence, and (2) an auxiliary model that simultaneously predicts fine-grained labels for all tokens conditioned on their coarse labels. Experiments on ImageNet demonstrate our method's superior performance, achieving an average improvement of 59 points in Inception Score compared to baselines. Notably, despite adding an inference step, our approach achieves faster sampling speeds.

Understanding and predicting human emotional and physiological states using wearable sensors has important applications in stress monitoring, mental health assessment, and affective computing. This study presents a novel Multi-Task Physics-Informed Neural Network (PINN) that performs Electrodermal Activity (EDA) prediction and emotion classification simultaneously, using the publicly available WESAD dataset. The model integrates psychological self-report features (PANAS and SAM) with a physics-inspired differential equation representing EDA dynamics, enforcing biophysically grounded constraints through a custom loss function. This loss combines EDA regression, emotion classification, and a physics residual term for improved interpretability. The architecture supports dual outputs for both tasks and is trained under a unified multi-task framework. Evaluated using 5-fold cross-validation, the model achieves an average EDA RMSE of 0.0362, Pearson correlation of 0.9919, and F1-score of 94.08 percent. These results outperform classical models such as SVR and XGBoost, as well as ablated variants like emotion-only and EDA-only models. In addition, the learned physical parameters including decay rate (alpha_0), emotional sensitivity (beta), and time scaling (gamma) are interpretable and stable across folds, aligning with known principles of human physiology. This work is the first to introduce a multi-task PINN framework for wearable emotion recognition, offering improved performance, generalizability, and model transparency. The proposed system provides a foundation for future interpretable and multimodal applications in healthcare and human-computer interaction.

In speech generation tasks, human subjective ratings, usually referred to as the opinion score, are considered the "gold standard" for speech quality evaluation, with the mean opinion score (MOS) serving as the primary evaluation metric. Due to the high cost of human annotation, several MOS prediction systems have emerged in the speech domain, demonstrating good performance. These MOS prediction models are trained using annotations from previous speech-related challenges. However, compared to the speech domain, the singing domain faces data scarcity and stricter copyright protections, leading to a lack of high-quality MOS-annotated datasets for singing. To address this, we propose SingMOS, a high-quality and diverse MOS dataset for singing, covering a range of Chinese and Japanese datasets. These synthesized vocals are generated using state-of-the-art models in singing synthesis, conversion, or resynthesis tasks and are rated by professional annotators alongside real vocals. Data analysis demonstrates the diversity and reliability of our dataset. Additionally, we conduct further exploration on SingMOS, providing insights for singing MOS prediction and guidance for the continued expansion of SingMOS.

Simulating realistic behaviors of traffic agents is pivotal for efficiently validating the safety of autonomous driving systems. Existing data-driven simulators primarily use an encoder-decoder architecture to encode the historical trajectories before decoding the future. However, the heterogeneity between encoders and decoders complicates the models, and the manual separation of historical and future trajectories leads to low data utilization. Given these limitations, we propose BehaviorGPT, a homogeneous and fully autoregressive Transformer designed to simulate the sequential behavior of multiple agents. Crucially, our approach discards the traditional separation between "history" and "future" by modeling each time step as the "current" one for motion generation, leading to a simpler, more parameter- and data-efficient agent simulator. We further introduce the Next-Patch Prediction Paradigm (NP3) to mitigate the negative effects of autoregressive modeling, in which models are trained to reason at the patch level of trajectories and capture long-range spatial-temporal interactions. Despite having merely 3M model parameters, BehaviorGPT won first place in the 2024 Waymo Open Sim Agents Challenge with a realism score of 0.7473 and a minADE score of 1.4147, demonstrating its exceptional performance in traffic agent simulation.

Facial beauty prediction (FBP) is a significant visual recognition problem to make assessment of facial attractiveness that is consistent to human perception. To tackle this problem, various data-driven models, especially state-of-the-art deep learning techniques, were introduced, and benchmark dataset become one of the essential elements to achieve FBP. Previous works have formulated the recognition of facial beauty as a specific supervised learning problem of classification, regression or ranking, which indicates that FBP is intrinsically a computation problem with multiple paradigms. However, most of FBP benchmark datasets were built under specific computation constrains, which limits the performance and flexibility of the computational model trained on the dataset. In this paper, we argue that FBP is a multi-paradigm computation problem, and propose a new diverse benchmark dataset, called SCUT-FBP5500, to achieve multi-paradigm facial beauty prediction. The SCUT-FBP5500 dataset has totally 5500 frontal faces with diverse properties (male/female, Asian/Caucasian, ages) and diverse labels (face landmarks, beauty scores within [1,~5], beauty score distribution), which allows different computational models with different FBP paradigms, such as appearance-based/shape-based facial beauty classification/regression model for male/female of Asian/Caucasian. We evaluated the SCUT-FBP5500 dataset for FBP using different combinations of feature and predictor, and various deep learning methods. The results indicates the improvement of FBP and the potential applications based on the SCUT-FBP5500.

Recent advances in zero-shot text-to-3D human generation, which employ the human model prior (eg, SMPL) or Score Distillation Sampling (SDS) with pre-trained text-to-image diffusion models, have been groundbreaking. However, SDS may provide inaccurate gradient directions under the weak diffusion guidance, as it tends to produce over-smoothed results and generate body textures that are inconsistent with the detailed mesh geometry. Therefore, directly leverage existing strategies for high-fidelity text-to-3D human texturing is challenging. In this work, we propose a model called PaintHuman to addresses the challenges from two aspects. We first propose a novel score function, Denoised Score Distillation (DSD), which directly modifies the SDS by introducing negative gradient components to iteratively correct the gradient direction and generate high-quality textures. In addition, we use the depth map as a geometric guidance to ensure the texture is semantically aligned to human mesh surfaces. To guarantee the quality of rendered results, we employ geometry-aware networks to predict surface materials and render realistic human textures. Extensive experiments, benchmarked against state-of-the-art methods, validate the efficacy of our approach.

Aspect sentiment quadruple prediction (ASQP) facilitates a detailed understanding of opinions expressed in a text by identifying the opinion term, aspect term, aspect category and sentiment polarity for each opinion. However, annotating a full set of training examples to fine-tune models for ASQP is a resource-intensive process. In this study, we explore the capabilities of large language models (LLMs) for zero- and few-shot learning on the ASQP task across five diverse datasets. We report F1 scores slightly below those obtained with state-of-the-art fine-tuned models but exceeding previously reported zero- and few-shot performance. In the 40-shot setting on the Rest16 restaurant domain dataset, LLMs achieved an F1 score of 52.46, compared to 60.39 by the best-performing fine-tuned method MVP. Additionally, we report the performance of LLMs in target aspect sentiment detection (TASD), where the F1 scores were also close to fine-tuned models, achieving 66.03 on Rest16 in the 40-shot setting, compared to 72.76 with MVP. While human annotators remain essential for achieving optimal performance, LLMs can reduce the need for extensive manual annotation in ASQP tasks.

We present our system (denoted as T05) for the VoiceMOS Challenge (VMC) 2024. Our system was designed for the VMC 2024 Track 1, which focused on the accurate prediction of naturalness mean opinion score (MOS) for high-quality synthetic speech. In addition to a pretrained self-supervised learning (SSL)-based speech feature extractor, our system incorporates a pretrained image feature extractor to capture the difference of synthetic speech observed in speech spectrograms. We first separately train two MOS predictors that use either of an SSL-based or spectrogram-based feature. Then, we fine-tune the two predictors for better MOS prediction using the fusion of two extracted features. In the VMC 2024 Track 1, our T05 system achieved first place in 7 out of 16 evaluation metrics and second place in the remaining 9 metrics, with a significant difference compared to those ranked third and below. We also report the results of our ablation study to investigate essential factors of our system.

In visual decision making, high-level features, such as object categories, have a strong influence on choice. However, the impact of low-level features on behavior is less understood partly due to the high correlation between high- and low-level features in the stimuli presented (e.g., objects of the same category are more likely to share low-level features). To disentangle these effects, we propose a method that de-correlates low- and high-level visual properties in a novel set of stimuli. Our method uses two Convolutional Neural Networks (CNNs) as candidate models of the ventral visual stream: the CORnet-S that has high neural predictivity in high-level, IT-like responses and the VGG-16 that has high neural predictivity in low-level responses. Triplets (root, image1, image2) of stimuli are parametrized by the level of low- and high-level similarity of images extracted from the different layers. These stimuli are then used in a decision-making task where participants are tasked to choose the most similar-to-the-root image. We found that different networks show differing abilities to predict the effects of low-versus-high-level similarity: while CORnet-S outperforms VGG-16 in explaining human choices based on high-level similarity, VGG-16 outperforms CORnet-S in explaining human choices based on low-level similarity. Using Brain-Score, we observed that the behavioral prediction abilities of different layers of these networks qualitatively corresponded to their ability to explain neural activity at different levels of the visual hierarchy. In summary, our algorithm for stimulus set generation enables the study of how different representations in the visual stream affect high-level cognitive behaviors.

Conformal prediction is a framework for predictive inference with a distribution-free, finite-sample guarantee. However, it tends to provide uninformative prediction sets when calibration data are scarce. This paper introduces Synthetic-powered predictive inference (SPI), a novel framework that incorporates synthetic data -- e.g., from a generative model -- to improve sample efficiency. At the core of our method is a score transporter: an empirical quantile mapping that aligns nonconformity scores from trusted, real data with those from synthetic data. By carefully integrating the score transporter into the calibration process, SPI provably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPI yields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification -- augmenting data with synthetic diffusion-model generated images -- and on tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.

Medical coding is essential for standardizing clinical data and communication but is often time-consuming and prone to errors. Traditional Natural Language Processing (NLP) methods struggle with automating coding due to the large label space, lengthy text inputs, and the absence of supporting evidence annotations that justify code selection. Recent advancements in Generative Artificial Intelligence (AI) offer promising solutions to these challenges. In this work, we introduce MedCodER, a Generative AI framework for automatic medical coding that leverages extraction, retrieval, and re-ranking techniques as core components. MedCodER achieves a micro-F1 score of 0.60 on International Classification of Diseases (ICD) code prediction, significantly outperforming state-of-the-art methods. Additionally, we present a new dataset containing medical records annotated with disease diagnoses, ICD codes, and supporting evidence texts (https://doi.org/10.5281/zenodo.13308316). Ablation tests confirm that MedCodER's performance depends on the integration of each of its aforementioned components, as performance declines when these components are evaluated in isolation.

Recent studies show that Question Answering (QA) based on Answer Sentence Selection (AS2) can be improved by generating an improved answer from the top-k ranked answer sentences (termed GenQA). This allows for synthesizing the information from multiple candidates into a concise, natural-sounding answer. However, creating large-scale supervised training data for GenQA models is very challenging. In this paper, we propose to train a GenQA model by transferring knowledge from a trained AS2 model, to overcome the aforementioned issue. First, we use an AS2 model to produce a ranking over answer candidates for a set of questions. Then, we use the top ranked candidate as the generation target, and the next k top ranked candidates as context for training a GenQA model. We also propose to use the AS2 model prediction scores for loss weighting and score-conditioned input/output shaping, to aid the knowledge transfer. Our evaluation on three public and one large industrial datasets demonstrates the superiority of our approach over the AS2 baseline, and GenQA trained using supervised data.

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based platforms able to sequence non-native peptides. Current protein sequencing techniques face limitations in accurately identifying all amino acids, hindering comprehensive proteome analysis. Our method simulates partial sequencing data by selectively masking amino acids that are experimentally difficult to identify in protein sequences from the UniRef database. This targeted masking mimics real-world sequencing limitations. We then modify and finetune a ProtBert derived transformer-based model, for a new downstream task predicting these masked residues, providing an approximation of the complete sequence. Evaluating on three bacterial Escherichia species, we achieve per-amino-acid accuracy up to 90.5% when only four amino acids ([KCYM]) are known. Structural assessment using AlphaFold and TM-score validates the biological relevance of our predictions. The model also demonstrates potential for evolutionary analysis through cross-species performance. This integration of simulated experimental constraints with computational predictions offers a promising avenue for enhancing protein sequence analysis, potentially accelerating advancements in proteomics and structural biology by providing a probabilistic reconstruction of the complete protein sequence from limited experimental data.

In this paper, we explore the idea of analysing the historical bias of contextual language models based on BERT by measuring their adequacy with respect to Early Modern (EME) and Modern (ME) English. In our preliminary experiments, we perform fill-in-the-blank tests with 60 masked sentences (20 EME-specific, 20 ME-specific and 20 generic) and three different models (i.e., BERT Base, MacBERTh, English HLM). We then rate the model predictions according to a 5-point bipolar scale between the two language varieties and derive a weighted score to measure the adequacy of each model to EME and ME varieties of English.

Analytical framework for predicting General Matrix Multiplication (GEMM) performance on modern GPUs, focusing on runtime, power consumption, and energy efficiency. Our study employs two approaches: a custom-implemented tiled matrix multiplication kernel for fundamental analysis, and NVIDIA's CUTLASS library for comprehensive performance data collection across advanced configurations. Using the NVIDIA RTX 4070 as our experimental platform, we developed a Random Forest-based prediction model with multi-output regression capability. Through analysis of both naive tiled matrix multiplication with varying tile sizes (1 to 32) and 16,128 CUTLASS GEMM operations across diverse configurations, we identified critical performance patterns related to matrix dimensions, thread block configurations, and memory access patterns. Our framework achieved exceptional accuracy with an R^2 score of 0.98 for runtime prediction (mean error 15.57%) and 0.78 for power prediction (median error 5.42%). The system successfully predicts performance across matrix sizes, demonstrating robust scaling behavior. Our results show that optimal tile size selection can improve performance by up to 3.2x while reducing power consumption by 22% compared to baseline configurations. Analysis of shared memory utilization and SM occupancy reveals that tile sizes of 16x16 achieve the best balance between parallelism and resource usage. The implementation of our framework, including prediction models and analysis tools, is available as an open-source project at GPPerf [https://github.com/pavlyhalim/GPPerf].

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

This paper presents a new approach for assessing uncertainty in machine translation by simultaneously evaluating translation quality and providing a reliable confidence score. Our approach utilizes conformal predictive distributions to produce prediction intervals with guaranteed coverage, meaning that for any given significance level epsilon, we can expect the true quality score of a translation to fall out of the interval at a rate of 1-epsilon. In this paper, we demonstrate how our method outperforms a simple, but effective baseline on six different language pairs in terms of coverage and sharpness. Furthermore, we validate that our approach requires the data exchangeability assumption to hold for optimal performance.

Recent advances in agentic workflows have enabled the automation of tasks such as professional document generation. However, they primarily focus on textual quality, neglecting visual structure and style, which are crucial for readability and engagement. This gap arises mainly from the absence of suitable reward models to guide agentic workflows toward producing documents with stronger structural and stylistic quality. To address this, we propose DocReward, a document reward model that evaluates documents based on their structure and style. We construct a multi-domain dataset DocPair of 117K paired documents, covering 32 domains and 267 document types, each including a high- and low-professionalism document with identical content but different structure and style. This enables the model to evaluate professionalism comprehensively, and in a textual-quality-agnostic way. DocReward is trained using the Bradley-Terry loss to score documents, penalizing predictions that contradict the annotated ranking. To assess the performance of reward models, we create a test dataset containing document bundles ranked by well-educated human evaluators. Notably, DocReward outperforms GPT-4o and GPT-5 in accuracy by 30.6 and 19.4 percentage points, respectively, demonstrating its superiority over baselines. In an extrinsic evaluation of document generation, DocReward achieves a significantly higher win rate of 60.8%, compared to GPT-5's 37.7% win rate, demonstrating its utility in guiding generation agents toward producing human-preferred documents.

This technical report describes our QuAVF@NTU-NVIDIA submission to the Ego4D Talking to Me (TTM) Challenge 2023. Based on the observation from the TTM task and the provided dataset, we propose to use two separate models to process the input videos and audio. By doing so, we can utilize all the labeled training data, including those without bounding box labels. Furthermore, we leverage the face quality score from a facial landmark prediction model for filtering noisy face input data. The face quality score is also employed in our proposed quality-aware fusion for integrating the results from two branches. With the simple architecture design, our model achieves 67.4% mean average precision (mAP) on the test set, which ranks first on the leaderboard and outperforms the baseline method by a large margin. Code is available at: https://github.com/hsi-che-lin/Ego4D-QuAVF-TTM-CVPR23

Generative models of natural images have progressed towards high fidelity samples by the strong leveraging of scale. We attempt to carry this success to the field of video modeling by showing that large Generative Adversarial Networks trained on the complex Kinetics-600 dataset are able to produce video samples of substantially higher complexity and fidelity than previous work. Our proposed model, Dual Video Discriminator GAN (DVD-GAN), scales to longer and higher resolution videos by leveraging a computationally efficient decomposition of its discriminator. We evaluate on the related tasks of video synthesis and video prediction, and achieve new state-of-the-art Fr\'echet Inception Distance for prediction for Kinetics-600, as well as state-of-the-art Inception Score for synthesis on the UCF-101 dataset, alongside establishing a strong baseline for synthesis on Kinetics-600.

In industry deep learning application, our manually labeled data has a certain number of noisy data. To solve this problem and achieve more than 90 score in dev dataset, we present a simple method to find the noisy data and re-label the noisy data by human, given the model predictions as references in human labeling. In this paper, we illustrate our idea for a broad set of deep learning tasks, includes classification, sequence tagging, object detection, sequence generation, click-through rate prediction. The dev dataset evaluation results and human evaluation results verify our idea.

When reading medical images such as a computed tomography (CT) scan, radiologists generally search across the image to find lesions, characterize and measure them, and then describe them in the radiological report. To automate this process, we propose a multitask universal lesion analysis network (MULAN) for joint detection, tagging, and segmentation of lesions in a variety of body parts, which greatly extends existing work of single-task lesion analysis on specific body parts. MULAN is based on an improved Mask R-CNN framework with three head branches and a 3D feature fusion strategy. It achieves the state-of-the-art accuracy in the detection and tagging tasks on the DeepLesion dataset, which contains 32K lesions in the whole body. We also analyze the relationship between the three tasks and show that tag predictions can improve detection accuracy via a score refinement layer.

Online misinformation poses a global risk with harmful implications for society. Ordinary social media users are known to actively reply to misinformation posts with counter-misinformation messages, which is shown to be effective in containing the spread of misinformation. Such a practice is defined as "social correction". Nevertheless, it remains unknown how users respond to social correction in real-world scenarios, especially, will it have a corrective or backfire effect on users. Investigating this research question is pivotal for developing and refining strategies that maximize the efficacy of social correction initiatives. To fill this gap, we conduct an in-depth study to characterize and predict the user response to social correction in a data-driven manner through the lens of X (Formerly Twitter), where the user response is instantiated as the reply that is written toward a counter-misinformation message. Particularly, we first create a novel dataset with 55, 549 triples of misinformation tweets, counter-misinformation replies, and responses to counter-misinformation replies, and then curate a taxonomy to illustrate different kinds of user responses. Next, fine-grained statistical analysis of reply linguistic and engagement features as well as repliers' user attributes is conducted to illustrate the characteristics that are significant in determining whether a reply will have a corrective or backfire effect. Finally, we build a user response prediction model to identify whether a social correction will be corrective, neutral, or have a backfire effect, which achieves a promising F1 score of 0.816. Our work enables stakeholders to monitor and predict user responses effectively, thus guiding the use of social correction to maximize their corrective impact and minimize backfire effects. The code and data is accessible on https://github.com/claws-lab/response-to-social-correction.

No-Reference Image Quality Assessment (NR-IQA) aims to assess the perceptual quality of images in accordance with human subjective perception. Unfortunately, existing NR-IQA methods are far from meeting the needs of predicting accurate quality scores on GAN-based distortion images. To this end, we propose Multi-dimension Attention Network for no-reference Image Quality Assessment (MANIQA) to improve the performance on GAN-based distortion. We firstly extract features via ViT, then to strengthen global and local interactions, we propose the Transposed Attention Block (TAB) and the Scale Swin Transformer Block (SSTB). These two modules apply attention mechanisms across the channel and spatial dimension, respectively. In this multi-dimensional manner, the modules cooperatively increase the interaction among different regions of images globally and locally. Finally, a dual branch structure for patch-weighted quality prediction is applied to predict the final score depending on the weight of each patch's score. Experimental results demonstrate that MANIQA outperforms state-of-the-art methods on four standard datasets (LIVE, TID2013, CSIQ, and KADID-10K) by a large margin. Besides, our method ranked first place in the final testing phase of the NTIRE 2022 Perceptual Image Quality Assessment Challenge Track 2: No-Reference. Codes and models are available at https://github.com/IIGROUP/MANIQA.

Many methods have been proposed for removing batch effects and aligning single-cell RNA (scRNA) datasets. However, performance is typically evaluated based on multiple parameters and few datasets, creating challenges in assessing which method is best for aligning data at scale. Here, we introduce the K-Neighbors Intersection (KNI) score, a single score that both penalizes batch effects and measures accuracy at cross-dataset cell-type label prediction alongside carefully curated small (scMARK) and large (scREF) benchmarks comprising 11 and 46 human scRNA studies respectively, where we have standardized author labels. Using the KNI score, we evaluate and optimize approaches for cross-dataset single-cell RNA integration. We introduce Batch Adversarial single-cell Variational Inference (BA-scVI), as a new variant of scVI that uses adversarial training to penalize batch-effects in the encoder and decoder, and show this approach outperforms other methods. In the resulting aligned space, we find that the granularity of cell-type groupings is conserved, supporting the notion that whole-organism cell-type maps can be created by a single model without loss of information.

Machine learning models routinely automate decisions in applications like lending and hiring. In such settings, consumer protection rules require companies that deploy models to explain predictions to decision subjects. These rules are motivated, in part, by the belief that explanations can promote recourse by revealing information that individuals can use to contest or improve their outcomes. In practice, many companies comply with these rules by providing individuals with a list of the most important features for their prediction, which they identify based on feature importance scores from feature attribution methods such as SHAP or LIME. In this work, we show how these practices can undermine consumers by highlighting features that would not lead to an improved outcome and by explaining predictions that cannot be changed. We propose to address these issues by highlighting features based on their responsiveness score -- i.e., the probability that an individual can attain a target prediction by changing a specific feature. We develop efficient methods to compute responsiveness scores for any model and any dataset. We conduct an extensive empirical study on the responsiveness of explanations in lending. Our results show that standard practices in consumer finance can backfire by presenting consumers with reasons without recourse, and demonstrate how our approach improves consumer protection by highlighting responsive features and identifying fixed predictions.

Pyrolysis techniques have served to be a groundbreaking technique for effectively utilising natural and man-made biomass products like plastics, wood, crop residue, fruit peels etc. Recent advancements have shown a greater yield of essential products like biochar, bio-oil and other non-condensable gases by blending different biomasses in a certain ratio. This synergy effect of combining two pyrolytic raw materials i.e co-pyrolysis of algae and wood biomass has been systematically studied and grouped into 3 phases in this research paper-kinetic analysis of co-pyrolysis, correlation among proximate and ultimate analysis with bio-char yield and lastly grouping of different weight ratios based on biochar yield up to a certain percentage. Different ML and DL algorithms have been utilized for regression and classification techniques to give a comprehensive overview of the effect of the synergy of two different biomass materials on biochar yield. For the first phase, the best prediction of biochar yield was obtained by using a decision tree regressor with a perfect MSE score of 0.00, followed by a gradient-boosting regressor. The second phase was analyzed using both ML and DL techniques. Within ML, SVR proved to be the most convenient model with an accuracy score of 0.972 with DNN employed for deep learning technique. Finally, for the third phase, binary classification was applied to biochar yield with and without heating rate for biochar yield percentage above and below 40%. The best technique for ML was Support Vector followed by Random forest while ANN was the most suitable Deep Learning Technique.

Text classification is a fundamental language task in Natural Language Processing. A variety of sequential models is capable making good predictions yet there is lack of connection between language semantics and prediction results. This paper proposes a novel influence score (I-score), a greedy search algorithm called Backward Dropping Algorithm (BDA), and a novel feature engineering technique called the "dagger technique". First, the paper proposes a novel influence score (I-score) to detect and search for the important language semantics in text document that are useful for making good prediction in text classification tasks. Next, a greedy search algorithm called the Backward Dropping Algorithm is proposed to handle long-term dependencies in the dataset. Moreover, the paper proposes a novel engineering technique called the "dagger technique" that fully preserve the relationship between explanatory variable and response variable. The proposed techniques can be further generalized into any feed-forward Artificial Neural Networks (ANNs) and Convolutional Neural Networks (CNNs), and any neural network. A real-world application on the Internet Movie Database (IMDB) is used and the proposed methods are applied to improve prediction performance with an 81% error reduction comparing with other popular peers if I-score and "dagger technique" are not implemented.

We present a new human-human dialogue dataset - PhotoChat, the first dataset that casts light on the photo sharing behavior in onlin emessaging. PhotoChat contains 12k dialogues, each of which is paired with a user photo that is shared during the conversation. Based on this dataset, we propose two tasks to facilitate research on image-text modeling: a photo-sharing intent prediction task that predicts whether one intends to share a photo in the next conversation turn, and a photo retrieval task that retrieves the most relevant photo according to the dialogue context. In addition, for both tasks, we provide baseline models using the state-of-the-art models and report their benchmark performances. The best image retrieval model achieves 10.4% recall@1 (out of 1000 candidates) and the best photo intent prediction model achieves 58.1% F1 score, indicating that the dataset presents interesting yet challenging real-world problems. We are releasing PhotoChat to facilitate future research work among the community.

While deep reinforcement learning excels at solving tasks where large amounts of data can be collected through virtually unlimited interaction with the environment, learning from limited interaction remains a key challenge. We posit that an agent can learn more efficiently if we augment reward maximization with self-supervised objectives based on structure in its visual input and sequential interaction with the environment. Our method, Self-Predictive Representations(SPR), trains an agent to predict its own latent state representations multiple steps into the future. We compute target representations for future states using an encoder which is an exponential moving average of the agent's parameters and we make predictions using a learned transition model. On its own, this future prediction objective outperforms prior methods for sample-efficient deep RL from pixels. We further improve performance by adding data augmentation to the future prediction loss, which forces the agent's representations to be consistent across multiple views of an observation. Our full self-supervised objective, which combines future prediction and data augmentation, achieves a median human-normalized score of 0.415 on Atari in a setting limited to 100k steps of environment interaction, which represents a 55% relative improvement over the previous state-of-the-art. Notably, even in this limited data regime, SPR exceeds expert human scores on 7 out of 26 games. The code associated with this work is available at https://github.com/mila-iqia/spr

Risk scores are simple classification models that let users make quick risk predictions by adding and subtracting a few small numbers. These models are widely used in medicine and criminal justice, but are difficult to learn from data because they need to be calibrated, sparse, use small integer coefficients, and obey application-specific operational constraints. In this paper, we present a new machine learning approach to learn risk scores. We formulate the risk score problem as a mixed integer nonlinear program, and present a cutting plane algorithm for non-convex settings to efficiently recover its optimal solution. We improve our algorithm with specialized techniques to generate feasible solutions, narrow the optimality gap, and reduce data-related computation. Our approach can fit risk scores in a way that scales linearly in the number of samples, provides a certificate of optimality, and obeys real-world constraints without parameter tuning or post-processing. We benchmark the performance benefits of this approach through an extensive set of numerical experiments, comparing to risk scores built using heuristic approaches. We also discuss its practical benefits through a real-world application where we build a customized risk score for ICU seizure prediction in collaboration with the Massachusetts General Hospital.