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SubscribeCoTox: Chain-of-Thought-Based Molecular Toxicity Reasoning and Prediction
Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability. This limits their ability to capture organ-specific toxicities driven by complex biological mechanisms. Large language models (LLMs) offer a promising alternative through step-by-step reasoning and integration of textual data, yet prior approaches lack biological context and transparent rationale. To address this issue, we propose CoTox, a novel framework that integrates LLM with chain-of-thought (CoT) reasoning for multi-toxicity prediction. CoTox combines chemical structure data, biological pathways, and gene ontology (GO) terms to generate interpretable toxicity predictions through step-by-step reasoning. Using GPT-4o, we show that CoTox outperforms both traditional machine learning and deep learning model. We further examine its performance across various LLMs to identify where CoTox is most effective. Additionally, we find that representing chemical structures with IUPAC names, which are easier for LLMs to understand than SMILES, enhances the model's reasoning ability and improves predictive performance. To demonstrate its practical utility in drug development, we simulate the treatment of relevant cell types with drug and incorporated the resulting biological context into the CoTox framework. This approach allow CoTox to generate toxicity predictions aligned with physiological responses, as shown in case study. This result highlights the potential of LLM-based frameworks to improve interpretability and support early-stage drug safety assessment. The code and prompt used in this work are available at https://github.com/dmis-lab/CoTox.
Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability. Traditional graph-based and sequence-to-sequence models often lack generalized chemical knowledge, leading to predictions that are neither consistently accurate nor easily explainable. To address these challenges, we introduce RetroDFM-R, a reasoning-based large language model (LLM) designed specifically for chemical retrosynthesis. Leveraging large-scale reinforcement learning guided by chemically verifiable rewards, RetroDFM-R significantly enhances prediction accuracy and explainability. Comprehensive evaluations demonstrate that RetroDFM-R significantly outperforms state-of-the-art methods, achieving a top-1 accuracy of 65.0% on the USPTO-50K benchmark. Double-blind human assessments further validate the chemical plausibility and practical utility of RetroDFM-R's predictions. RetroDFM-R also accurately predicts multistep retrosynthetic routes reported in the literature for both real-world drug molecules and perovskite materials. Crucially, the model's explicit reasoning process provides human-interpretable insights, thereby enhancing trust and practical value in real-world retrosynthesis applications.
Multimodal Multitask Representation Learning for Pathology Biobank Metadata Prediction
Metadata are general characteristics of the data in a well-curated and condensed format, and have been proven to be useful for decision making, knowledge discovery, and also heterogeneous data organization of biobank. Among all data types in the biobank, pathology is the key component of the biobank and also serves as the gold standard of diagnosis. To maximize the utility of biobank and allow the rapid progress of biomedical science, it is essential to organize the data with well-populated pathology metadata. However, manual annotation of such information is tedious and time-consuming. In the study, we develop a multimodal multitask learning framework to predict four major slide-level metadata of pathology images. The framework learns generalizable representations across tissue slides, pathology reports, and case-level structured data. We demonstrate improved performance across all four tasks with the proposed method compared to a single modal single task baseline on two test sets, one external test set from a distinct data source (TCGA) and one internal held-out test set (TTH). In the test sets, the performance improvements on the averaged area under receiver operating characteristic curve across the four tasks are 16.48% and 9.05% on TCGA and TTH, respectively. Such pathology metadata prediction system may be adopted to mitigate the effort of expert annotation and ultimately accelerate the data-driven research by better utilization of the pathology biobank.
Chasing Your Long Tails: Differentially Private Prediction in Health Care Settings
Machine learning models in health care are often deployed in settings where it is important to protect patient privacy. In such settings, methods for differentially private (DP) learning provide a general-purpose approach to learn models with privacy guarantees. Modern methods for DP learning ensure privacy through mechanisms that censor information judged as too unique. The resulting privacy-preserving models, therefore, neglect information from the tails of a data distribution, resulting in a loss of accuracy that can disproportionately affect small groups. In this paper, we study the effects of DP learning in health care. We use state-of-the-art methods for DP learning to train privacy-preserving models in clinical prediction tasks, including x-ray classification of images and mortality prediction in time series data. We use these models to perform a comprehensive empirical investigation of the tradeoffs between privacy, utility, robustness to dataset shift, and fairness. Our results highlight lesser-known limitations of methods for DP learning in health care, models that exhibit steep tradeoffs between privacy and utility, and models whose predictions are disproportionately influenced by large demographic groups in the training data. We discuss the costs and benefits of differentially private learning in health care.
AgentMD: Empowering Language Agents for Risk Prediction with Large-Scale Clinical Tool Learning
Clinical calculators play a vital role in healthcare by offering accurate evidence-based predictions for various purposes such as prognosis. Nevertheless, their widespread utilization is frequently hindered by usability challenges, poor dissemination, and restricted functionality. Augmenting large language models with extensive collections of clinical calculators presents an opportunity to overcome these obstacles and improve workflow efficiency, but the scalability of the manual curation process poses a significant challenge. In response, we introduce AgentMD, a novel language agent capable of curating and applying clinical calculators across various clinical contexts. Using the published literature, AgentMD has automatically curated a collection of 2,164 diverse clinical calculators with executable functions and structured documentation, collectively named RiskCalcs. Manual evaluations show that RiskCalcs tools achieve an accuracy of over 80% on three quality metrics. At inference time, AgentMD can automatically select and apply the relevant RiskCalcs tools given any patient description. On the newly established RiskQA benchmark, AgentMD significantly outperforms chain-of-thought prompting with GPT-4 (87.7% vs. 40.9% in accuracy). Additionally, we also applied AgentMD to real-world clinical notes for analyzing both population-level and risk-level patient characteristics. In summary, our study illustrates the utility of language agents augmented with clinical calculators for healthcare analytics and patient care.
FantasyWorld: Geometry-Consistent World Modeling via Unified Video and 3D Prediction
High-quality 3D world models are pivotal for embodied intelligence and Artificial General Intelligence (AGI), underpinning applications such as AR/VR content creation and robotic navigation. Despite the established strong imaginative priors, current video foundation models lack explicit 3D grounding capabilities, thus being limited in both spatial consistency and their utility for downstream 3D reasoning tasks. In this work, we present FantasyWorld, a geometry-enhanced framework that augments frozen video foundation models with a trainable geometric branch, enabling joint modeling of video latents and an implicit 3D field in a single forward pass. Our approach introduces cross-branch supervision, where geometry cues guide video generation and video priors regularize 3D prediction, thus yielding consistent and generalizable 3D-aware video representations. Notably, the resulting latents from the geometric branch can potentially serve as versatile representations for downstream 3D tasks such as novel view synthesis and navigation, without requiring per-scene optimization or fine-tuning. Extensive experiments show that FantasyWorld effectively bridges video imagination and 3D perception, outperforming recent geometry-consistent baselines in multi-view coherence and style consistency. Ablation studies further confirm that these gains stem from the unified backbone and cross-branch information exchange.
Reasoning-Enhanced Large Language Models for Molecular Property Prediction
Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional machine learning models struggle with task transferability, while specialized molecular language models provide little insight into their decision-making processes. To address these limitations, we propose MPPReasoner, a multimodal large language model that incorporates chemical reasoning for molecular property prediction. Our approach, built upon Qwen2.5-VL-7B-Instruct, integrates molecular images with SMILES strings to enable comprehensive molecular understanding. We develop a two-stage training strategy: supervised fine-tuning (SFT) using 16,000 high-quality reasoning trajectories generated through expert knowledge and multiple teacher models, followed by Reinforcement Learning from Principle-Guided Rewards (RLPGR). RLPGR employs verifiable, rule-based rewards that systematically evaluate chemical principle application, molecular structure analysis, and logical consistency through computational verification. Extensive experiments across 8 datasets demonstrate significant performance improvements, with MPPReasoner outperforming the best baselines by 7.91\% and 4.53\% on in-distribution and out-of-distribution tasks respectively. MPPReasoner exhibits exceptional cross-task generalization and generates chemically sound reasoning paths that provide valuable insights into molecular property analysis, substantially enhancing both interpretability and practical utility for chemists. Code is available at https://anonymous.4open.science/r/MPPReasoner-12687.
DISPROTBENCH: A Disorder-Aware, Task-Rich Benchmark for Evaluating Protein Structure Prediction in Realistic Biological Contexts
Recent advances in protein structure prediction have achieved near-atomic accuracy for well-folded proteins. However, current benchmarks inadequately assess model performance in biologically challenging contexts, especially those involving intrinsically disordered regions (IDRs), limiting their utility in applications such as drug discovery, disease variant interpretation, and protein interface design. We introduce DisProtBench, a comprehensive benchmark for evaluating protein structure prediction models (PSPMs) under structural disorder and complex biological conditions. DisProtBench spans three key axes: (1) Data complexity, covering disordered regions, G protein-coupled receptor (GPCR) ligand pairs, and multimeric complexes; (2) Task diversity, benchmarking twelve leading PSPMs across structure-based tasks with unified classification, regression, and interface metrics; and (3) Interpretability, via the DisProtBench Portal, which provides precomputed 3D structures and visual error analyses. Our results reveal significant variability in model robustness under disorder, with low-confidence regions linked to functional prediction failures. Notably, global accuracy metrics often fail to predict task performance in disordered settings, emphasizing the need for function-aware evaluation. DisProtBench establishes a reproducible, extensible, and biologically grounded framework for assessing next-generation PSPMs in realistic biomedical scenarios.
Nonparametric Modeling of Diffusion MRI Signal in Q-space
This paper describes a novel nonparametric model for modeling diffusion MRI signals in q-space. In q-space, diffusion MRI signal is measured for a sequence of magnetic strengths (b-values) and magnetic gradient directions (b-vectors). We propose a Poly-RBF model, which employs a bidirectional framework with polynomial bases to model the signal along the b-value direction and Gaussian radial bases across the b-vectors. The model can accommodate sparse data on b-values and moderately dense data on b-vectors. The utility of Poly-RBF is inspected for two applications: 1) prediction of the dMRI signal, and 2) harmonization of dMRI data collected under different acquisition protocols with different scanners. Our results indicate that the proposed Poly-RBF model can more accurately predict the unmeasured diffusion signal than its competitors such as the Gaussian process model in {\tt Eddy} of FSL. Applying it to harmonizing the diffusion signal can significantly improve the reproducibility of derived white matter microstructure measures.
Supermarket-6DoF: A Real-World Grasping Dataset and Grasp Pose Representation Analysis
We present Supermarket-6DoF, a real-world dataset of 1500 grasp attempts across 20 supermarket objects with publicly available 3D models. Unlike most existing grasping datasets that rely on analytical metrics or simulation for grasp labeling, our dataset provides ground-truth outcomes from physical robot executions. Among the few real-world grasping datasets, wile more modest in size, Supermarket-6DoF uniquely features full 6-DoF grasp poses annotated with both initial grasp success and post-grasp stability under external perturbation. We demonstrate the dataset's utility by analyzing three grasp pose representations for grasp success prediction from point clouds. Our results show that representing the gripper geometry explicitly as a point cloud achieves higher prediction accuracy compared to conventional quaternion-based grasp pose encoding.
Forecasting Future International Events: A Reliable Dataset for Text-Based Event Modeling
Predicting future international events from textual information, such as news articles, has tremendous potential for applications in global policy, strategic decision-making, and geopolitics. However, existing datasets available for this task are often limited in quality, hindering the progress of related research. In this paper, we introduce WORLDREP (WORLD Relationship and Event Prediction), a novel dataset designed to address these limitations by leveraging the advanced reasoning capabilities of large-language models (LLMs). Our dataset features high-quality scoring labels generated through advanced prompt modeling and rigorously validated by domain experts in political science. We showcase the quality and utility of WORLDREP for real-world event prediction tasks, demonstrating its effectiveness through extensive experiments and analysis. Furthermore, we publicly release our dataset along with the full automation source code for data collection, labeling, and benchmarking, aiming to support and advance research in text-based event prediction.
Detecting and recognizing characters in Greek papyri with YOLOv8, DeiT and SimCLR
Purpose: The capacity to isolate and recognize individual characters from facsimile images of papyrus manuscripts yields rich opportunities for digital analysis. For this reason the `ICDAR 2023 Competition on Detection and Recognition of Greek Letters on Papyri' was held as part of the 17th International Conference on Document Analysis and Recognition. This paper discusses our submission to the competition. Methods: We used an ensemble of YOLOv8 models to detect and classify individual characters and employed two different approaches for refining the character predictions, including a transformer based DeiT approach and a ResNet-50 model trained on a large corpus of unlabelled data using SimCLR, a self-supervised learning method. Results: Our submission won the recognition challenge with a mAP of 42.2%, and was runner-up in the detection challenge with a mean average precision (mAP) of 51.4%. At the more relaxed intersection over union threshold of 0.5, we achieved the highest mean average precision and mean average recall results for both detection and classification. Conclusion: The results demonstrate the potential for these techniques for automated character recognition on historical manuscripts. We ran the prediction pipeline on more than 4,500 images from the Oxyrhynchus Papyri to illustrate the utility of our approach, and we release the results publicly in multiple formats.
Are Rules Meant to be Broken? Understanding Multilingual Moral Reasoning as a Computational Pipeline with UniMoral
Moral reasoning is a complex cognitive process shaped by individual experiences and cultural contexts and presents unique challenges for computational analysis. While natural language processing (NLP) offers promising tools for studying this phenomenon, current research lacks cohesion, employing discordant datasets and tasks that examine isolated aspects of moral reasoning. We bridge this gap with UniMoral, a unified dataset integrating psychologically grounded and social-media-derived moral dilemmas annotated with labels for action choices, ethical principles, contributing factors, and consequences, alongside annotators' moral and cultural profiles. Recognizing the cultural relativity of moral reasoning, UniMoral spans six languages, Arabic, Chinese, English, Hindi, Russian, and Spanish, capturing diverse socio-cultural contexts. We demonstrate UniMoral's utility through a benchmark evaluations of three large language models (LLMs) across four tasks: action prediction, moral typology classification, factor attribution analysis, and consequence generation. Key findings reveal that while implicitly embedded moral contexts enhance the moral reasoning capability of LLMs, there remains a critical need for increasingly specialized approaches to further advance moral reasoning in these models.
Social Orientation: A New Feature for Dialogue Analysis
There are many settings where it is useful to predict and explain the success or failure of a dialogue. Circumplex theory from psychology models the social orientations (e.g., Warm-Agreeable, Arrogant-Calculating) of conversation participants and can be used to predict and explain the outcome of social interactions. Our work is novel in its systematic application of social orientation tags to modeling conversation outcomes. In this paper, we introduce a new data set of dialogue utterances machine-labeled with social orientation tags. We show that social orientation tags improve task performance, especially in low-resource settings, on both English and Chinese language benchmarks. We also demonstrate how social orientation tags help explain the outcomes of social interactions when used in neural models. Based on these results showing the utility of social orientation tags for dialogue outcome prediction tasks, we release our data sets, code, and models that are fine-tuned to predict social orientation tags on dialogue utterances.
Uncertainty Quantification via Stable Distribution Propagation
We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.
Multi-rate adaptive transform coding for video compression
Contemporary lossy image and video coding standards rely on transform coding, the process through which pixels are mapped to an alternative representation to facilitate efficient data compression. Despite impressive performance of end-to-end optimized compression with deep neural networks, the high computational and space demands of these models has prevented them from superseding the relatively simple transform coding found in conventional video codecs. In this study, we propose learned transforms and entropy coding that may either serve as (non)linear drop-in replacements, or enhancements for linear transforms in existing codecs. These transforms can be multi-rate, allowing a single model to operate along the entire rate-distortion curve. To demonstrate the utility of our framework, we augmented the DCT with learned quantization matrices and adaptive entropy coding to compress intra-frame AV1 block prediction residuals. We report substantial BD-rate and perceptual quality improvements over more complex nonlinear transforms at a fraction of the computational cost.
"Why Should I Trust You?": Explaining the Predictions of Any Classifier
Despite widespread adoption, machine learning models remain mostly black boxes. Understanding the reasons behind predictions is, however, quite important in assessing trust, which is fundamental if one plans to take action based on a prediction, or when choosing whether to deploy a new model. Such understanding also provides insights into the model, which can be used to transform an untrustworthy model or prediction into a trustworthy one. In this work, we propose LIME, a novel explanation technique that explains the predictions of any classifier in an interpretable and faithful manner, by learning an interpretable model locally around the prediction. We also propose a method to explain models by presenting representative individual predictions and their explanations in a non-redundant way, framing the task as a submodular optimization problem. We demonstrate the flexibility of these methods by explaining different models for text (e.g. random forests) and image classification (e.g. neural networks). We show the utility of explanations via novel experiments, both simulated and with human subjects, on various scenarios that require trust: deciding if one should trust a prediction, choosing between models, improving an untrustworthy classifier, and identifying why a classifier should not be trusted.
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.
Wind speed super-resolution and validation: from ERA5 to CERRA via diffusion models
The Copernicus Regional Reanalysis for Europe, CERRA, is a high-resolution regional reanalysis dataset for the European domain. In recent years it has shown significant utility across various climate-related tasks, ranging from forecasting and climate change research to renewable energy prediction, resource management, air quality risk assessment, and the forecasting of rare events, among others. Unfortunately, the availability of CERRA is lagging two years behind the current date, due to constraints in acquiring the requisite external data and the intensive computational demands inherent in its generation. As a solution, this paper introduces a novel method using diffusion models to approximate CERRA downscaling in a data-driven manner, without additional informations. By leveraging the lower resolution ERA5 dataset, which provides boundary conditions for CERRA, we approach this as a super-resolution task. Focusing on wind speed around Italy, our model, trained on existing CERRA data, shows promising results, closely mirroring original CERRA data. Validation with in-situ observations further confirms the model's accuracy in approximating ground measurements.
A Dataset for Automatic Assessment of TTS Quality in Spanish
This work addresses the development of a database for the automatic assessment of text-to-speech (TTS) systems in Spanish, aiming to improve the accuracy of naturalness prediction models. The dataset consists of 4,326 audio samples from 52 different TTS systems and human voices and is, up to our knowledge, the first of its kind in Spanish. To label the audios, a subjective test was designed based on the ITU-T Rec. P.807 standard and completed by 92 participants. Furthermore, the utility of the collected dataset was validated by training automatic naturalness prediction systems. We explored two approaches: fine-tuning an existing model originally trained for English, and training small downstream networks on top of frozen self-supervised speech models. Our models achieve a mean absolute error of 0.8 on a five-point MOS scale. Further analysis demonstrates the quality and diversity of the developed dataset, and its potential to advance TTS research in Spanish.
VidModEx: Interpretable and Efficient Black Box Model Extraction for High-Dimensional Spaces
In the domain of black-box model extraction, conventional methods reliant on soft labels or surrogate datasets struggle with scaling to high-dimensional input spaces and managing the complexity of an extensive array of interrelated classes. In this work, we present a novel approach that utilizes SHAP (SHapley Additive exPlanations) to enhance synthetic data generation. SHAP quantifies the individual contributions of each input feature towards the victim model's output, facilitating the optimization of an energy-based GAN towards a desirable output. This method significantly boosts performance, achieving a 16.45% increase in the accuracy of image classification models and extending to video classification models with an average improvement of 26.11% and a maximum of 33.36% on challenging datasets such as UCF11, UCF101, Kinetics 400, Kinetics 600, and Something-Something V2. We further demonstrate the effectiveness and practical utility of our method under various scenarios, including the availability of top-k prediction probabilities, top-k prediction labels, and top-1 labels.
Tomayto, Tomahto. Beyond Token-level Answer Equivalence for Question Answering Evaluation
The predictions of question answering (QA)systems are typically evaluated against manually annotated finite sets of one or more answers. This leads to a coverage limitation that results in underestimating the true performance of systems, and is typically addressed by extending over exact match (EM) with pre-defined rules or with the token-level F1 measure. In this paper, we present the first systematic conceptual and data-driven analysis to examine the shortcomings of token-level equivalence measures. To this end, we define the asymmetric notion of answer equivalence (AE), accepting answers that are equivalent to or improve over the reference, and publish over 23k human judgments for candidates produced by multiple QA systems on SQuAD. Through a careful analysis of this data, we reveal and quantify several concrete limitations of the F1 measure, such as a false impression of graduality, or missing dependence on the question. Since collecting AE annotations for each evaluated model is expensive, we learn a BERT matching (BEM) measure to approximate this task. Being a simpler task than QA, we find BEM to provide significantly better AE approximations than F1, and to more accurately reflect the performance of systems. Finally, we demonstrate the practical utility of AE and BEM on the concrete application of minimal accurate prediction sets, reducing the number of required answers by up to x2.6.
ForgeHLS: A Large-Scale, Open-Source Dataset for High-Level Synthesis
High-Level Synthesis (HLS) plays a crucial role in modern hardware design by transforming high-level code into optimized hardware implementations. However, progress in applying machine learning (ML) to HLS optimization has been hindered by a shortage of sufficiently large and diverse datasets. To bridge this gap, we introduce ForgeHLS, a large-scale, open-source dataset explicitly designed for ML-driven HLS research. ForgeHLS comprises over 400k diverse designs generated from 846 kernels covering a broad range of application domains, consuming over 200k CPU hours during dataset construction. Each kernel includes systematically automated pragma insertions (loop unrolling, pipelining, array partitioning), combined with extensive design space exploration using Bayesian optimization. Compared to existing datasets, ForgeHLS significantly enhances scale, diversity, and design coverage. We further define and evaluate representative downstream tasks in Quality of Result (QoR) prediction and automated pragma exploration, clearly demonstrating ForgeHLS utility for developing and improving ML-based HLS optimization methodologies. The dataset and code are public at https://github.com/zedong-peng/ForgeHLS.
SCOREQ: Speech Quality Assessment with Contrastive Regression
In this paper, we present SCOREQ, a novel approach for speech quality prediction. SCOREQ is a triplet loss function for contrastive regression that addresses the domain generalisation shortcoming exhibited by state of the art no-reference speech quality metrics. In the paper we: (i) illustrate the problem of L2 loss training failing at capturing the continuous nature of the mean opinion score (MOS) labels; (ii) demonstrate the lack of generalisation through a benchmarking evaluation across several speech domains; (iii) outline our approach and explore the impact of the architectural design decisions through incremental evaluation; (iv) evaluate the final model against state of the art models for a wide variety of data and domains. The results show that the lack of generalisation observed in state of the art speech quality metrics is addressed by SCOREQ. We conclude that using a triplet loss function for contrastive regression improves generalisation for speech quality prediction models but also has potential utility across a wide range of applications using regression-based predictive models.
Identifying Informational Sources in News Articles
News articles are driven by the informational sources journalists use in reporting. Modeling when, how and why sources get used together in stories can help us better understand the information we consume and even help journalists with the task of producing it. In this work, we take steps toward this goal by constructing the largest and widest-ranging annotated dataset, to date, of informational sources used in news writing. We show that our dataset can be used to train high-performing models for information detection and source attribution. We further introduce a novel task, source prediction, to study the compositionality of sources in news articles. We show good performance on this task, which we argue is an important proof for narrative science exploring the internal structure of news articles and aiding in planning-based language generation, and an important step towards a source-recommendation system to aid journalists.
ALARB: An Arabic Legal Argument Reasoning Benchmark
We introduce ALARB, a dataset and suite of tasks designed to evaluate the reasoning capabilities of large language models (LLMs) within the Arabic legal domain. While existing Arabic benchmarks cover some knowledge-intensive tasks such as retrieval and understanding, substantial datasets focusing specifically on multistep reasoning for Arabic LLMs, especially in open-ended contexts, are lacking. The dataset comprises over 13K commercial court cases from Saudi Arabia, with each case including the facts presented, the reasoning of the court, the verdict, as well as the cited clauses extracted from the regulatory documents. We define a set of challenging tasks leveraging this dataset and reflecting the complexity of real-world legal reasoning, including verdict prediction, completion of reasoning chains in multistep legal arguments, and identification of relevant regulations based on case facts. We benchmark a representative selection of current open and closed Arabic LLMs on these tasks and demonstrate the dataset's utility for instruction tuning. Notably, we show that instruction-tuning a modest 12B parameter model using ALARB significantly enhances its performance in verdict prediction and Arabic verdict generation, reaching a level comparable to that of GPT-4o.
Lucy-SKG: Learning to Play Rocket League Efficiently Using Deep Reinforcement Learning
A successful tactic that is followed by the scientific community for advancing AI is to treat games as problems, which has been proven to lead to various breakthroughs. We adapt this strategy in order to study Rocket League, a widely popular but rather under-explored 3D multiplayer video game with a distinct physics engine and complex dynamics that pose a significant challenge in developing efficient and high-performance game-playing agents. In this paper, we present Lucy-SKG, a Reinforcement Learning-based model that learned how to play Rocket League in a sample-efficient manner, outperforming by a notable margin the two highest-ranking bots in this game, namely Necto (2022 bot champion) and its successor Nexto, thus becoming a state-of-the-art agent. Our contributions include: a) the development of a reward analysis and visualization library, b) novel parameterizable reward shape functions that capture the utility of complex reward types via our proposed Kinesthetic Reward Combination (KRC) technique, and c) design of auxiliary neural architectures for training on reward prediction and state representation tasks in an on-policy fashion for enhanced efficiency in learning speed and performance. By performing thorough ablation studies for each component of Lucy-SKG, we showed their independent effectiveness in overall performance. In doing so, we demonstrate the prospects and challenges of using sample-efficient Reinforcement Learning techniques for controlling complex dynamical systems under competitive team-based multiplayer conditions.
Language Model Decoding as Likelihood-Utility Alignment
A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios and their findings do not generalize across tasks. To better structure the discussion, we introduce a taxonomy that groups decoding strategies based on their implicit assumptions about how well the model's likelihood is aligned with the task-specific notion of utility. We argue that this taxonomy allows a broader view of the decoding problem and can lead to generalizable statements because it is grounded on the interplay between the decoding algorithms and the likelihood-utility misalignment. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide the first empirical evidence supporting the proposed taxonomy, and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first one to relate likelihood-based decoding strategies with strategies that rely on external information such as value-guided methods and prompting, and covers the most diverse set of tasks up-to-date.
