Daily Papers

Physics-Informed Neural Networks (PINNs), which incorporate PDEs as soft constraints, train with a composite loss function that contains multiple training point types: different types of collocation points chosen during training to enforce each PDE and initial/boundary conditions, and experimental points which are usually costly to obtain via experiments or simulations. Training PINNs using this loss function is challenging as it typically requires selecting large numbers of points of different types, each with different training dynamics. Unlike past works that focused on the selection of either collocation or experimental points, this work introduces PINN Adaptive ColLocation and Experimental points selection (PINNACLE), the first algorithm that jointly optimizes the selection of all training point types, while automatically adjusting the proportion of collocation point types as training progresses. PINNACLE uses information on the interaction among training point types, which had not been considered before, based on an analysis of PINN training dynamics via the Neural Tangent Kernel (NTK). We theoretically show that the criterion used by PINNACLE is related to the PINN generalization error, and empirically demonstrate that PINNACLE is able to outperform existing point selection methods for forward, inverse, and transfer learning problems.

Topology reasoning aims to provide a precise understanding of road scenes, enabling autonomous systems to identify safe and efficient routes. In this paper, we present RoadPainter, an innovative approach for detecting and reasoning the topology of lane centerlines using multi-view images. The core concept behind RoadPainter is to extract a set of points from each centerline mask to improve the accuracy of centerline prediction. We start by implementing a transformer decoder that integrates a hybrid attention mechanism and a real-virtual separation strategy to predict coarse lane centerlines and establish topological associations. Then, we generate centerline instance masks guided by the centerline points from the transformer decoder. Moreover, we derive an additional set of points from each mask and combine them with previously detected centerline points for further refinement. Additionally, we introduce an optional module that incorporates a Standard Definition (SD) map to further optimize centerline detection and enhance topological reasoning performance. Experimental evaluations on the OpenLane-V2 dataset demonstrate the state-of-the-art performance of RoadPainter.

This paper introduces the point-axis representation for oriented object detection, emphasizing its flexibility and geometrically intuitive nature with two key components: points and axes. 1) Points delineate the spatial extent and contours of objects, providing detailed shape descriptions. 2) Axes define the primary directionalities of objects, providing essential orientation cues crucial for precise detection. The point-axis representation decouples location and rotation, addressing the loss discontinuity issues commonly encountered in traditional bounding box-based approaches. For effective optimization without introducing additional annotations, we propose the max-projection loss to supervise point set learning and the cross-axis loss for robust axis representation learning. Further, leveraging this representation, we present the Oriented DETR model, seamlessly integrating the DETR framework for precise point-axis prediction and end-to-end detection. Experimental results demonstrate significant performance improvements in oriented object detection tasks.

Point management is a critical component in optimizing 3D Gaussian Splatting (3DGS) models, as the point initiation (e.g., via structure from motion) is distributionally inappropriate. Typically, the Adaptive Density Control (ADC) algorithm is applied, leveraging view-averaged gradient magnitude thresholding for point densification, opacity thresholding for pruning, and regular all-points opacity reset. However, we reveal that this strategy is limited in tackling intricate/special image regions (e.g., transparent) as it is unable to identify all the 3D zones that require point densification, and lacking an appropriate mechanism to handle the ill-conditioned points with negative impacts (occlusion due to false high opacity). To address these limitations, we propose a Localized Point Management (LPM) strategy, capable of identifying those error-contributing zones in the highest demand for both point addition and geometry calibration. Zone identification is achieved by leveraging the underlying multiview geometry constraints, with the guidance of image rendering errors. We apply point densification in the identified zone, whilst resetting the opacity of those points residing in front of these regions so that a new opportunity is created to correct ill-conditioned points. Serving as a versatile plugin, LPM can be seamlessly integrated into existing 3D Gaussian Splatting models. Experimental evaluation across both static 3D and dynamic 4D scenes validate the efficacy of our LPM strategy in boosting a variety of existing 3DGS models both quantitatively and qualitatively. Notably, LPM improves both vanilla 3DGS and SpaceTimeGS to achieve state-of-the-art rendering quality while retaining real-time speeds, outperforming on challenging datasets such as Tanks & Temples and the Neural 3D Video Dataset.

Facial landmark detection is a vital step for numerous facial image analysis applications. Although some deep learning-based methods have achieved good performances in this task, they are often not suitable for running on mobile devices. Such methods rely on networks with many parameters, which makes the training and inference time-consuming. Training lightweight neural networks such as MobileNets are often challenging, and the models might have low accuracy. Inspired by knowledge distillation (KD), this paper presents a novel loss function to train a lightweight Student network (e.g., MobileNetV2) for facial landmark detection. We use two Teacher networks, a Tolerant-Teacher and a Tough-Teacher in conjunction with the Student network. The Tolerant-Teacher is trained using Soft-landmarks created by active shape models, while the Tough-Teacher is trained using the ground truth (aka Hard-landmarks) landmark points. To utilize the facial landmark points predicted by the Teacher networks, we define an Assistive Loss (ALoss) for each Teacher network. Moreover, we define a loss function called KD-Loss that utilizes the facial landmark points predicted by the two pre-trained Teacher networks (EfficientNet-b3) to guide the lightweight Student network towards predicting the Hard-landmarks. Our experimental results on three challenging facial datasets show that the proposed architecture will result in a better-trained Student network that can extract facial landmark points with high accuracy.

Vision-language models (VLMs) frequently generate hallucinated content plausible but incorrect claims about image content. We propose a training-free self-correction framework enabling VLMs to iteratively refine responses through uncertainty-guided visual re-attention. Our method combines multidimensional uncertainty quantification (token entropy, attention dispersion, semantic consistency, claim confidence) with attention-guided cropping of under-explored regions. Operating entirely with frozen, pretrained VLMs, our framework requires no gradient updates. We validate our approach on the POPE and MMHAL BENCH benchmarks using the Qwen2.5-VL-7B [23] architecture. Experimental results demonstrate that our method reduces hallucination rates by 9.8 percentage points compared to the baseline, while improving object existence accuracy by 4.7 points on adversarial splits. Furthermore, qualitative analysis confirms that uncertainty-guided re-attention successfully grounds corrections in visual evidence where standard decoding fails. We validate our approach on Qwen2.5-VL-7B [23], with plans to extend validation across diverse architectures in future versions. We release our code and methodology to facilitate future research in trustworthy multimodal systems.

Pixel-wise regression is probably the most common problem in fine-grained computer vision tasks, such as estimating keypoint heatmaps and segmentation masks. These regression problems are very challenging particularly because they require, at low computation overheads, modeling long-range dependencies on high-resolution inputs/outputs to estimate the highly nonlinear pixel-wise semantics. While attention mechanisms in Deep Convolutional Neural Networks(DCNNs) has become popular for boosting long-range dependencies, element-specific attention, such as Nonlocal blocks, is highly complex and noise-sensitive to learn, and most of simplified attention hybrids try to reach the best compromise among multiple types of tasks. In this paper, we present the Polarized Self-Attention(PSA) block that incorporates two critical designs towards high-quality pixel-wise regression: (1) Polarized filtering: keeping high internal resolution in both channel and spatial attention computation while completely collapsing input tensors along their counterpart dimensions. (2) Enhancement: composing non-linearity that directly fits the output distribution of typical fine-grained regression, such as the 2D Gaussian distribution (keypoint heatmaps), or the 2D Binormial distribution (binary segmentation masks). PSA appears to have exhausted the representation capacity within its channel-only and spatial-only branches, such that there is only marginal metric differences between its sequential and parallel layouts. Experimental results show that PSA boosts standard baselines by 2-4 points, and boosts state-of-the-arts by 1-2 points on 2D pose estimation and semantic segmentation benchmarks.

Knowledge distillation (KD) has shown great promise in transferring knowledge from larger teacher models to smaller student models. However, existing KD strategies for large language models often minimize output distributions between student and teacher models indiscriminately for each token. This overlooks the imbalanced nature of tokens and their varying transfer difficulties. In response, we propose a distillation strategy called Self-Evolution KD. The core of this approach involves dynamically integrating teacher distribution and one-hot distribution of ground truth into the student distribution as prior knowledge, which promotes the distillation process. It adjusts the ratio of prior knowledge based on token learning difficulty, fully leveraging the teacher model's potential. Experimental results show our method brings an average improvement of approximately 1.4 SacreBLEU points across four translation directions in the WMT22 test sets. Further analysis indicates that the improvement comes from better knowledge transfer from teachers, confirming our hypothesis.

Visual Entity Linking (VEL) is a crucial task for achieving fine-grained visual understanding, matching objects within images (visual mentions) to entities in a knowledge base. Previous VEL tasks rely on textual inputs, but writing queries for complex scenes can be challenging. Visual inputs like clicks or bounding boxes offer a more convenient alternative. Therefore, we propose a new task, Pixel-Level Visual Entity Linking (PL-VEL), which uses pixel masks from visual inputs to refer to objects, supplementing reference methods for VEL. To facilitate research on this task, we have constructed the MaskOVEN-Wiki dataset through an entirely automatic reverse region-entity annotation framework. This dataset contains over 5 million annotations aligning pixel-level regions with entity-level labels, which will advance visual understanding towards fine-grained. Moreover, as pixel masks correspond to semantic regions in an image, we enhance previous patch-interacted attention with region-interacted attention by a visual semantic tokenization approach. Manual evaluation results indicate that the reverse annotation framework achieved a 94.8% annotation success rate. Experimental results show that models trained on this dataset improved accuracy by 18 points compared to zero-shot models. Additionally, the semantic tokenization method achieved a 5-point accuracy improvement over the trained baseline.

Back-translation has proven to be an effective method to utilize monolingual data in neural machine translation (NMT), and iteratively conducting back-translation can further improve the model performance. Selecting which monolingual data to back-translate is crucial, as we require that the resulting synthetic data are of high quality and reflect the target domain. To achieve these two goals, data selection and weighting strategies have been proposed, with a common practice being to select samples close to the target domain but also dissimilar to the average general-domain text. In this paper, we provide insights into this commonly used approach and generalize it to a dynamic curriculum learning strategy, which is applied to iterative back-translation models. In addition, we propose weighting strategies based on both the current quality of the sentence and its improvement over the previous iteration. We evaluate our models on domain adaptation, low-resource, and high-resource MT settings and on two language pairs. Experimental results demonstrate that our methods achieve improvements of up to 1.8 BLEU points over competitive baselines.

Reinforcement learning with verifiable rewards (RLVR) has achieved remarkable success in enhancing the reasoning capabilities of large language models (LLMs). However, existing RLVR methods often suffer from exploration inefficiency due to mismatches between the training data's difficulty and the model's capability. LLMs fail to discover viable reasoning paths when problems are overly difficult, while learning little new capability when problems are too simple. In this work, we formalize the impact of problem difficulty by quantifying the relationship between loss descent speed and rollout accuracy. Building on this analysis, we propose SEELE, a novel supervision-aided RLVR framework that dynamically adjusts problem difficulty to stay within the high-efficiency region. SEELE augments each training sample by appending a hint (part of a full solution) after the original problem. Unlike previous hint-based approaches, SEELE deliberately and adaptively adjusts the hint length for each problem to achieve an optimal difficulty. To determine the optimal hint length, SEELE employs a multi-round rollout sampling strategy. In each round, it fits an item response theory model to the accuracy-hint pairs collected in preceding rounds to predict the required hint length for the next round. This instance-level, real-time difficulty adjustment aligns problem difficulty with the evolving model capability, thereby improving exploration efficiency. Experimental results show that SEELE outperforms Group Relative Policy Optimization (GRPO) and Supervised Fine-tuning (SFT) by +11.8 and +10.5 points, respectively, and surpasses the best previous supervision-aided approach by +3.6 points on average across six math reasoning benchmarks.

While the Mamba architecture demonstrates superior inference efficiency and competitive performance on short-context natural language processing (NLP) tasks, empirical evidence suggests its capacity to comprehend long contexts is limited compared to transformer-based models. In this study, we investigate the long-context efficiency issues of the Mamba models and propose ReMamba, which enhances Mamba's ability to comprehend long contexts. ReMamba incorporates selective compression and adaptation techniques within a two-stage re-forward process, incurring minimal additional inference costs overhead. Experimental results on the LongBench and L-Eval benchmarks demonstrate ReMamba's efficacy, improving over the baselines by 3.2 and 1.6 points, respectively, and attaining performance almost on par with same-size transformer models.

Ultrasound imaging has become the preferred imaging modality for early cancer screening due to its advantages of non-ionizing radiation, low cost, and real-time imaging capabilities. However, conventional ultrasound diagnosis heavily relies on physician expertise, presenting challenges of high subjectivity and low diagnostic efficiency. Vision-language models (VLMs) offer promising solutions for this issue, but existing general-purpose models demonstrate limited knowledge in ultrasound medical tasks, with poor generalization in multi-organ lesion recognition and low efficiency across multi-task diagnostics. To address these limitations, we propose EchoVLM, a vision-language model specifically designed for ultrasound medical imaging. The model employs a Mixture of Experts (MoE) architecture trained on data spanning seven anatomical regions. This design enables the model to perform multiple tasks, including ultrasound report generation, diagnosis and visual question-answering (VQA). The experimental results demonstrated that EchoVLM achieved significant improvements of 10.15 and 4.77 points in BLEU-1 scores and ROUGE-1 scores respectively compared to Qwen2-VL on the ultrasound report generation task. These findings suggest that EchoVLM has substantial potential to enhance diagnostic accuracy in ultrasound imaging, thereby providing a viable technical solution for future clinical applications. Source code and model weights are available at https://github.com/Asunatan/EchoVLM.

We present ACADATA, a high-quality parallel dataset for academic translation, that consists of two subsets: ACAD-TRAIN, which contains approximately 1.5 million author-generated paragraph pairs across 96 language directions and ACAD-BENCH, a curated evaluation set of almost 6,000 translations covering 12 directions. To validate its utility, we fine-tune two Large Language Models (LLMs) on ACAD-TRAIN and benchmark them on ACAD-BENCH against specialized machine-translation systems, general-purpose, open-weight LLMs, and several large-scale proprietary models. Experimental results demonstrate that fine-tuning on ACAD-TRAIN leads to improvements in academic translation quality by +6.1 and +12.4 d-BLEU points on average for 7B and 2B models respectively, while also improving long-context translation in a general domain by up to 24.9% when translating out of English. The fine-tuned top-performing model surpasses the best propietary and open-weight models on academic translation domain. By releasing ACAD-TRAIN, ACAD-BENCH and the fine-tuned models, we provide the community with a valuable resource to advance research in academic domain and long-context translation.

ELECTRA, the generator-discriminator pre-training framework, has achieved impressive semantic construction capability among various downstream tasks. Despite the convincing performance, ELECTRA still faces the challenges of monotonous training and deficient interaction. Generator with only masked language modeling (MLM) leads to biased learning and label imbalance for discriminator, decreasing learning efficiency; no explicit feedback loop from discriminator to generator results in the chasm between these two components, underutilizing the course learning. In this study, a multi-perspective course learning (MCL) method is proposed to fetch a many degrees and visual angles for sample-efficient pre-training, and to fully leverage the relationship between generator and discriminator. Concretely, three self-supervision courses are designed to alleviate inherent flaws of MLM and balance the label in a multi-perspective way. Besides, two self-correction courses are proposed to bridge the chasm between the two encoders by creating a "correction notebook" for secondary-supervision. Moreover, a course soups trial is conducted to solve the "tug-of-war" dynamics problem of MCL, evolving a stronger pre-trained model. Experimental results show that our method significantly improves ELECTRA's average performance by 2.8% and 3.2% absolute points respectively on GLUE and SQuAD 2.0 benchmarks, and overshadows recent advanced ELECTRA-style models under the same settings. The pre-trained MCL model is available at https://huggingface.co/McmanusChen/MCL-base.

We present Code Comparison Tuning (CCT), a simple and effective tuning method for code large language models (Code LLMs) to better handle subtle code errors. Specifically, we integrate the concept of comparison into instruction tuning, both at the token and sequence levels, enabling the model to discern even the slightest deviations in code. To compare the original code with an erroneous version containing manually added code errors, we use token-level preference loss for detailed token-level comparisons. Additionally, we combine code segments to create a new instruction tuning sample for sequence-level comparisons, enhancing the model's bug-fixing capability. Experimental results on the HumanEvalFix benchmark show that CCT surpasses instruction tuning in pass@1 scores by up to 4 points across diverse code LLMs, and extensive analysis demonstrates the effectiveness of our method.

Recently, multilingual question answering became a crucial research topic, and it is receiving increased interest in the NLP community. However, the unavailability of large-scale datasets makes it challenging to train multilingual QA systems with performance comparable to the English ones. In this work, we develop the Translate Align Retrieve (TAR) method to automatically translate the Stanford Question Answering Dataset (SQuAD) v1.1 to Spanish. We then used this dataset to train Spanish QA systems by fine-tuning a Multilingual-BERT model. Finally, we evaluated our QA models with the recently proposed MLQA and XQuAD benchmarks for cross-lingual Extractive QA. Experimental results show that our models outperform the previous Multilingual-BERT baselines achieving the new state-of-the-art value of 68.1 F1 points on the Spanish MLQA corpus and 77.6 F1 and 61.8 Exact Match points on the Spanish XQuAD corpus. The resulting, synthetically generated SQuAD-es v1.1 corpora, with almost 100% of data contained in the original English version, to the best of our knowledge, is the first large-scale QA training resource for Spanish.

This paper introduces an approach for training o1-like RAG models that retrieve and reason over relevant information step by step before generating the final answer. Conventional RAG methods usually perform a single retrieval step before the generation process, which limits their effectiveness in addressing complex queries due to imperfect retrieval results. In contrast, our proposed method, CoRAG (Chain-of-Retrieval Augmented Generation), allows the model to dynamically reformulate the query based on the evolving state. To train CoRAG effectively, we utilize rejection sampling to automatically generate intermediate retrieval chains, thereby augmenting existing RAG datasets that only provide the correct final answer. At test time, we propose various decoding strategies to scale the model's test-time compute by controlling the length and number of sampled retrieval chains. Experimental results across multiple benchmarks validate the efficacy of CoRAG, particularly in multi-hop question answering tasks, where we observe more than 10 points improvement in EM score compared to strong baselines. On the KILT benchmark, CoRAG establishes a new state-of-the-art performance across a diverse range of knowledge-intensive tasks. Furthermore, we offer comprehensive analyses to understand the scaling behavior of CoRAG, laying the groundwork for future research aimed at developing factual and grounded foundation models.

Large Language Models (LLMs) have shown impressive progress in mathematical reasoning. While data augmentation is promising to enhance mathematical problem-solving ability, current approaches are predominantly limited to instance-level modifications-such as rephrasing or generating syntactic variations-which fail to capture and leverage the intrinsic relational structures inherent in mathematical knowledge. Inspired by human learning processes, where mathematical proficiency develops through systematic exposure to interconnected concepts, we introduce MathFusion, a novel framework that enhances mathematical reasoning through cross-problem instruction synthesis. MathFusion implements this through three fusion strategies: (1) sequential fusion, which chains related problems to model solution dependencies; (2) parallel fusion, which combines analogous problems to reinforce conceptual understanding; and (3) conditional fusion, which creates context-aware selective problems to enhance reasoning flexibility. By applying these strategies, we generate a new dataset, MathFusionQA, followed by fine-tuning models (DeepSeekMath-7B, Mistral-7B, Llama3-8B) on it. Experimental results demonstrate that MathFusion achieves substantial improvements in mathematical reasoning while maintaining high data efficiency, boosting performance by 18.0 points in accuracy across diverse benchmarks while requiring only 45K additional synthetic instructions, representing a substantial improvement over traditional single-instruction approaches. Our datasets, models, and code are publicly available at https://github.com/QizhiPei/mathfusion.

Advancements in distributed training and efficient attention mechanisms have significantly expanded the context window sizes of large language models (LLMs). However, recent work reveals that the effective context lengths of open-source LLMs often fall short, typically not exceeding half of their training lengths. In this work, we attribute this limitation to the left-skewed frequency distribution of relative positions formed in LLMs pretraining and post-training stages, which impedes their ability to effectively gather distant information. To address this challenge, we introduce ShifTed Rotray position embeddING (STRING). STRING shifts well-trained positions to overwrite the original ineffective positions during inference, enhancing performance within their existing training lengths. Experimental results show that without additional training, STRING dramatically improves the performance of the latest large-scale models, such as Llama3.1 70B and Qwen2 72B, by over 10 points on popular long-context benchmarks RULER and InfiniteBench, establishing new state-of-the-art results for open-source LLMs. Compared to commercial models, Llama 3.1 70B with \method even achieves better performance than GPT-4-128K and clearly surpasses Claude 2 and Kimi-chat.

Existing Vision-Language Navigation (VLN) agents based on Large Vision-Language Models (LVLMs) often suffer from perception errors, reasoning errors, and planning errors, which significantly hinder their navigation performance. To address these limitations, a novel VLN agent framework, named SeeNav-Agent, is proposed in this work. First, to reduce perception hallucinations of the visual module of the VLN agent, a dual-view Visual Prompt (VP) technique is introduced in the input space, which can also improve the agent's understanding of current spatial states. Subsequently, a novel step-level Reinforcement Fine-Tuning (RFT) method, Step Reward Group Policy Optimization (SRGPO), is designed for the post-training of VLN agents. In SRGPO, we first define verifiable process rewards for the navigation task, and then perform efficient step-level advantage estimation by randomly grouping different navigation steps. SRGPO provides dense reward signals for the reinforcement learning process of the VLN agent and enhances its planning capability. Experimental results on the EmbodiedBench Navigation benchmark indicate that by introducing the zero-shot VP module, the GPT-4.1 achieves a navigation success rate of 86.7%, surpassing the current best LVLM by approximately 20 percentage points (pp). Through post-training based on SRGPO, the Qwen2.5-VL-3B model reaches a navigation success rate of 72.3%, outperforming the best existing LVLM model by 5.6 pp. Moreover, compared to RFT algorithms such as GRPO and GiGPO, the proposed SRGPO demonstrates significant improvements in training stability, convergence efficiency, and generalization capability.

The advent of large Vision-Language Models (VLMs) has significantly advanced multimodal understanding, enabling more sophisticated and accurate integration of visual and textual information across various tasks, including image and video captioning, visual question answering, and cross-modal retrieval. Despite VLMs' superior capabilities, researchers lack a comprehensive understanding of their compositionality -- the ability to understand and produce novel combinations of known visual and textual components. Prior benchmarks provide only a relatively rough compositionality evaluation from the perspectives of objects, relations, and attributes while neglecting deeper reasoning about object interactions, counting, and complex compositions. However, compositionality is a critical ability that facilitates coherent reasoning and understanding across modalities for VLMs. To address this limitation, we propose MMCOMPOSITION, a novel human-annotated benchmark for comprehensively and accurately evaluating VLMs' compositionality. Our proposed benchmark serves as a complement to these earlier works. With MMCOMPOSITION, we can quantify and explore the compositionality of the mainstream VLMs. Surprisingly, we find GPT-4o's compositionality inferior to the best open-source model, and we analyze the underlying reasons. Our experimental analysis reveals the limitations of VLMs in fine-grained compositional perception and reasoning, and points to areas for improvement in VLM design and training. Resources available at: https://hanghuacs.github.io/MMComposition/

The rapid advancement of Large Language Models (LLMs) has led to an influx of efforts to extend their capabilities to multimodal tasks. Among them, growing attention has been focused on monolithic Multimodal Large Language Models (MLLMs) that integrate visual encoding and language decoding into a single LLM. Despite the structural simplicity and deployment-friendliness, training a monolithic MLLM with promising performance still remains challenging. In particular, the popular approaches adopt continuous pre-training to extend a pre-trained LLM to a monolithic MLLM, which suffers from catastrophic forgetting and leads to performance degeneration. In this paper, we aim to overcome this limitation from the perspective of delta tuning. Specifically, our core idea is to embed visual parameters into a pre-trained LLM, thereby incrementally learning visual knowledge from massive data via delta tuning, i.e., freezing the LLM when optimizing the visual parameters. Based on this principle, we present Mono-InternVL, a novel monolithic MLLM that seamlessly integrates a set of visual experts via a multimodal mixture-of-experts structure. Moreover, we propose an innovative pre-training strategy to maximize the visual capability of Mono-InternVL, namely Endogenous Visual Pre-training (EViP). In particular, EViP is designed as a progressive learning process for visual experts, which aims to fully exploit the visual knowledge from noisy data to high-quality data. To validate our approach, we conduct extensive experiments on 16 benchmarks. Experimental results not only validate the superior performance of Mono-InternVL compared to the state-of-the-art MLLM on 6 multimodal benchmarks, e.g., +113 points over InternVL-1.5 on OCRBench, but also confirm its better deployment efficiency, with first token latency reduced by up to 67%.

In this paper we explore the possibility of maximizing the information represented in spectrograms by making the spectrogram basis functions trainable. We experiment with two different tasks, namely keyword spotting (KWS) and automatic speech recognition (ASR). For most neural network models, the architecture and hyperparameters are typically fine-tuned and optimized in experiments. Input features, however, are often treated as fixed. In the case of audio, signals can be mainly expressed in two main ways: raw waveforms (time-domain) or spectrograms (time-frequency-domain). In addition, different spectrogram types are often used and tailored to fit different applications. In our experiments, we allow for this tailoring directly as part of the network. Our experimental results show that using trainable basis functions can boost the accuracy of Keyword Spotting (KWS) by 14.2 percentage points, and lower the Phone Error Rate (PER) by 9.5 percentage points. Although models using trainable basis functions become less effective as the model complexity increases, the trained filter shapes could still provide us with insights on which frequency bins are important for that specific task. From our experiments, we can conclude that trainable basis functions are a useful tool to boost the performance when the model complexity is limited.

Large Language Models (LLMs) demonstrate impressive mathematical reasoning abilities, but their solutions frequently contain errors that cannot be automatically verified. Formal theorem proving systems such as Lean 4 offer automated verification with complete accuracy, motivating recent efforts to build specialized prover LLMs that generate verifiable proofs in formal languages. However, a significant gap remains: current prover LLMs solve substantially fewer problems than general-purpose LLMs operating in natural language. We introduce Hilbert, an agentic framework that bridges this gap by combining the complementary strengths of informal reasoning and formal verification. Our system orchestrates four components: an informal LLM that excels at mathematical reasoning, a specialized prover LLM optimized for Lean 4 tactics, a formal verifier, and a semantic theorem retriever. Given a problem that the prover is unable to solve, Hilbert employs recursive decomposition to split the problem into subgoals that it solves with the prover or reasoner LLM. It leverages verifier feedback to refine incorrect proofs as necessary. Experimental results demonstrate that Hilbert substantially outperforms existing approaches on key benchmarks, achieving 99.2% on miniF2F, 6.6% points above the best publicly available method. Hilbert achieves the best known result on PutnamBench. It solves 462/660 problems (70.0%), outperforming proprietary approaches like SeedProver (50.4%) and achieving a 422% improvement over the best publicly available baseline. Thus, Hilbert effectively narrows the gap between informal reasoning and formal proof generation.

Recent advances in Large Language Models (LLMs) have highlighted the challenge of handling long-context tasks, where models need to reason over extensive input contexts to aggregate target information. While Chain-of-Thought (CoT) prompting has shown promise for multi-step reasoning, its effectiveness for long-context scenarios remains underexplored. Through systematic investigation across diverse tasks, we demonstrate that CoT's benefits generalize across most long-context scenarios and amplify with increasing context length. Motivated by this critical observation, we propose LongRePS, a process-supervised framework that teaches models to generate high-quality reasoning paths for enhanced long-context performance. Our framework incorporates a self-sampling mechanism to bootstrap reasoning paths and a novel quality assessment protocol specifically designed for long-context scenarios. Experimental results on various long-context benchmarks demonstrate the effectiveness of our approach, achieving significant improvements over outcome supervision baselines on both in-domain tasks (+13.6/+3.8 points for LLaMA/Qwen on MuSiQue) and cross-domain generalization (+9.3/+8.1 points on average across diverse QA tasks). Our code, data and trained models are made public to facilitate future research.

Visual information has been introduced for enhancing machine translation (MT), and its effectiveness heavily relies on the availability of large amounts of bilingual parallel sentence pairs with manual image annotations. In this paper, we introduce a stable diffusion-based imagination network into a multimodal large language model (MLLM) to explicitly generate an image for each source sentence, thereby advancing the multimodel MT. Particularly, we build heuristic human feedback with reinforcement learning to ensure the consistency of the generated image with the source sentence without the supervision of image annotation, which breaks the bottleneck of using visual information in MT. Furthermore, the proposed method enables imaginative visual information to be integrated into large-scale text-only MT in addition to multimodal MT. Experimental results show that our model significantly outperforms existing multimodal MT and text-only MT, especially achieving an average improvement of more than 14 BLEU points on Multi30K multimodal MT benchmarks.

Although weakly-supervised techniques can reduce the labeling effort, it is unclear whether a saliency model trained with weakly-supervised data (e.g., point annotation) can achieve the equivalent performance of its fully-supervised version. This paper attempts to answer this unexplored question by proving a hypothesis: there is a point-labeled dataset where saliency models trained on it can achieve equivalent performance when trained on the densely annotated dataset. To prove this conjecture, we proposed a novel yet effective adversarial trajectory-ensemble active learning (ATAL). Our contributions are three-fold: 1) Our proposed adversarial attack triggering uncertainty can conquer the overconfidence of existing active learning methods and accurately locate these uncertain pixels. {2)} Our proposed trajectory-ensemble uncertainty estimation method maintains the advantages of the ensemble networks while significantly reducing the computational cost. {3)} Our proposed relationship-aware diversity sampling algorithm can conquer oversampling while boosting performance. Experimental results show that our ATAL can find such a point-labeled dataset, where a saliency model trained on it obtained 97% -- 99% performance of its fully-supervised version with only ten annotated points per image.

Single Shot MultiBox Detector (SSD) is one of the fastest algorithms in the current object detection field, which uses fully convolutional neural network to detect all scaled objects in an image. Deconvolutional Single Shot Detector (DSSD) is an approach which introduces more context information by adding the deconvolution module to SSD. And the mean Average Precision (mAP) of DSSD on PASCAL VOC2007 is improved from SSD's 77.5% to 78.6%. Although DSSD obtains higher mAP than SSD by 1.1%, the frames per second (FPS) decreases from 46 to 11.8. In this paper, we propose a single stage end-to-end image detection model called ESSD to overcome this dilemma. Our solution to this problem is to cleverly extend better context information for the shallow layers of the best single stage (e.g. SSD) detectors. Experimental results show that our model can reach 79.4% mAP, which is higher than DSSD and SSD by 0.8 and 1.9 points respectively. Meanwhile, our testing speed is 25 FPS in Titan X GPU which is more than double the original DSSD.

Large Language Models (LLMs) have shown strong abilities in general language tasks, yet adapting them to specific domains remains a challenge. Current method like Domain Adaptive Pretraining (DAPT) requires costly full-parameter training and suffers from catastrophic forgetting. Meanwhile, Retrieval-Augmented Generation (RAG) introduces substantial inference latency due to expensive nearest-neighbor searches and longer context. This paper introduces Memory Decoder, a plug-and-play pretrained memory that enables efficient domain adaptation without changing the original model's parameters. Memory Decoder employs a small transformer decoder that learns to imitate the behavior of an external non-parametric retriever. Once trained, Memory Decoder can be seamlessly integrated with any pretrained language model that shares the same tokenizer, requiring no model-specific modifications. Experimental results demonstrate that Memory Decoder enables effective adaptation of various Qwen and Llama models to three distinct specialized domains: biomedicine, finance, and law, reducing perplexity by an average of 6.17 points. Overall, Memory Decoder introduces a novel paradigm centered on a specially pretrained memory component designed for domain-specific adaptation. This memory architecture can be integrated in a plug-and-play manner, consistently enhancing performance across multiple models within the target domain.

This paper aims to design a unified Computer-Aided Design (CAD) generation system that can easily generate CAD models based on the user's inputs in the form of textual description, images, point clouds, or even a combination of them. Towards this goal, we introduce the CAD-MLLM, the first system capable of generating parametric CAD models conditioned on the multimodal input. Specifically, within the CAD-MLLM framework, we leverage the command sequences of CAD models and then employ advanced large language models (LLMs) to align the feature space across these diverse multi-modalities data and CAD models' vectorized representations. To facilitate the model training, we design a comprehensive data construction and annotation pipeline that equips each CAD model with corresponding multimodal data. Our resulting dataset, named Omni-CAD, is the first multimodal CAD dataset that contains textual description, multi-view images, points, and command sequence for each CAD model. It contains approximately 450K instances and their CAD construction sequences. To thoroughly evaluate the quality of our generated CAD models, we go beyond current evaluation metrics that focus on reconstruction quality by introducing additional metrics that assess topology quality and surface enclosure extent. Extensive experimental results demonstrate that CAD-MLLM significantly outperforms existing conditional generative methods and remains highly robust to noises and missing points. The project page and more visualizations can be found at: https://cad-mllm.github.io/

Most biomedical pretrained language models are monolingual and cannot handle the growing cross-lingual requirements. The scarcity of non-English domain corpora, not to mention parallel data, poses a significant hurdle in training multilingual biomedical models. Since knowledge forms the core of domain-specific corpora and can be translated into various languages accurately, we propose a model called KBioXLM, which transforms the multilingual pretrained model XLM-R into the biomedical domain using a knowledge-anchored approach. We achieve a biomedical multilingual corpus by incorporating three granularity knowledge alignments (entity, fact, and passage levels) into monolingual corpora. Then we design three corresponding training tasks (entity masking, relation masking, and passage relation prediction) and continue training on top of the XLM-R model to enhance its domain cross-lingual ability. To validate the effectiveness of our model, we translate the English benchmarks of multiple tasks into Chinese. Experimental results demonstrate that our model significantly outperforms monolingual and multilingual pretrained models in cross-lingual zero-shot and few-shot scenarios, achieving improvements of up to 10+ points. Our code is publicly available at https://github.com/ngwlh-gl/KBioXLM.

Large Language Models (LLMs) have advanced Verilog code generation significantly, yet face challenges in data quality, reasoning capabilities, and computational efficiency. This paper presents ReasoningV, a novel model employing a hybrid reasoning strategy that integrates trained intrinsic capabilities with dynamic inference adaptation for Verilog code generation. Our framework introduces three complementary innovations: (1) ReasoningV-5K, a high-quality dataset of 5,000 functionally verified instances with reasoning paths created through multi-dimensional filtering of PyraNet samples; (2) a two-stage training approach combining parameter-efficient fine-tuning for foundational knowledge with full-parameter optimization for enhanced reasoning; and (3) an adaptive reasoning mechanism that dynamically adjusts reasoning depth based on problem complexity, reducing token consumption by up to 75\% while preserving performance. Experimental results demonstrate ReasoningV's effectiveness with a pass@1 accuracy of 57.8\% on VerilogEval-human, achieving performance competitive with leading commercial models like Gemini-2.0-flash (59.5\%) and exceeding the previous best open-source model by 10.4 percentage points. ReasoningV offers a more reliable and accessible pathway for advancing AI-driven hardware design automation, with our model, data, and code available at https://github.com/BUAA-CLab/ReasoningV.

In this paper, we propose and design a new task called audio moment retrieval (AMR). Unlike conventional language-based audio retrieval tasks that search for short audio clips from an audio database, AMR aims to predict relevant moments in untrimmed long audio based on a text query. Given the lack of prior work in AMR, we first build a dedicated dataset, Clotho-Moment, consisting of large-scale simulated audio recordings with moment annotations. We then propose a DETR-based model, named Audio Moment DETR (AM-DETR), as a fundamental framework for AMR tasks. This model captures temporal dependencies within audio features, inspired by similar video moment retrieval tasks, thus surpassing conventional clip-level audio retrieval methods. Additionally, we provide manually annotated datasets to properly measure the effectiveness and robustness of our methods on real data. Experimental results show that AM-DETR, trained with Clotho-Moment, outperforms a baseline model that applies a clip-level audio retrieval method with a sliding window on all metrics, particularly improving [email protected] by 9.00 points. Our datasets and code are publicly available in https://h-munakata.github.io/Language-based-Audio-Moment-Retrieval.

New Intent Discovery (NID) strives to identify known and reasonably deduce novel intent groups in the open-world scenario. But current methods face issues with inaccurate pseudo-labels and poor representation learning, creating a negative feedback loop that degrades overall model performance, including accuracy and the adjusted rand index. To address the aforementioned challenges, we propose a Robust New Intent Discovery (RoNID) framework optimized by an EM-style method, which focuses on constructing reliable pseudo-labels and obtaining cluster-friendly discriminative representations. RoNID comprises two main modules: reliable pseudo-label generation module and cluster-friendly representation learning module. Specifically, the pseudo-label generation module assigns reliable synthetic labels by solving an optimal transport problem in the E-step, which effectively provides high-quality supervised signals for the input of the cluster-friendly representation learning module. To learn cluster-friendly representation with strong intra-cluster compactness and large inter-cluster separation, the representation learning module combines intra-cluster and inter-cluster contrastive learning in the M-step to feed more discriminative features into the generation module. RoNID can be performed iteratively to ultimately yield a robust model with reliable pseudo-labels and cluster-friendly representations. Experimental results on multiple benchmarks demonstrate our method brings substantial improvements over previous state-of-the-art methods by a large margin of +1~+4 points.

Point-based interactive colorization techniques allow users to effortlessly colorize grayscale images using user-provided color hints. However, point-based methods often face challenges when different colors are given to semantically similar areas, leading to color intermingling and unsatisfactory results-an issue we refer to as color collapse. The fundamental cause of color collapse is the inadequacy of points for defining the boundaries for each color. To mitigate color collapse, we introduce a lasso tool that can control the scope of each color hint. Additionally, we design a framework that leverages the user-provided lassos to localize the attention masks. The experimental results show that using a single lasso is as effective as applying 4.18 individual color hints and can achieve the desired outcomes in 30% less time than using points alone.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

Knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry. Phase equilibria calculations of mixtures require activity coefficients. However, experimental data on activity coefficients is often limited due to high cost of experiments. For an accurate and efficient prediction of activity coefficients, machine learning approaches have been recently developed. However, current machine learning approaches still extrapolate poorly for activity coefficients of unknown molecules. In this work, we introduce the SMILES-to-Properties-Transformer (SPT), a natural language processing network to predict binary limiting activity coefficients from SMILES codes. To overcome the limitations of available experimental data, we initially train our network on a large dataset of synthetic data sampled from COSMO-RS (10 Million data points) and then fine-tune the model on experimental data (20 870 data points). This training strategy enables SPT to accurately predict limiting activity coefficients even for unknown molecules, cutting the mean prediction error in half compared to state-of-the-art models for activity coefficient predictions such as COSMO-RS, UNIFAC, and improving on recent machine learning approaches.

We present VAPO, Value-based Augmented Proximal Policy Optimization framework for reasoning models., a novel framework tailored for reasoning models within the value-based paradigm. Benchmarked the AIME 2024 dataset, VAPO, built on the Qwen 32B pre-trained model, attains a state-of-the-art score of 60.4. In direct comparison under identical experimental settings, VAPO outperforms the previously reported results of DeepSeek-R1-Zero-Qwen-32B and DAPO by more than 10 points. The training process of VAPO stands out for its stability and efficiency. It reaches state-of-the-art performance within a mere 5,000 steps. Moreover, across multiple independent runs, no training crashes occur, underscoring its reliability. This research delves into long chain-of-thought (long-CoT) reasoning using a value-based reinforcement learning framework. We pinpoint three key challenges that plague value-based methods: value model bias, the presence of heterogeneous sequence lengths, and the sparsity of reward signals. Through systematic design, VAPO offers an integrated solution that effectively alleviates these challenges, enabling enhanced performance in long-CoT reasoning tasks.

The recent development and success of Large Language Models (LLMs) necessitate an evaluation of their performance across diverse NLP tasks in different languages. Although several frameworks have been developed and made publicly available, their customization capabilities for specific tasks and datasets are often complex for different users. In this study, we introduce the LLMeBench framework. Initially developed to evaluate Arabic NLP tasks using OpenAI's GPT and BLOOM models; it can be seamlessly customized for any NLP task and model, regardless of language. The framework also features zero- and few-shot learning settings. A new custom dataset can be added in less than 10 minutes, and users can use their own model API keys to evaluate the task at hand. The developed framework has been already tested on 31 unique NLP tasks using 53 publicly available datasets within 90 experimental setups, involving approximately 296K data points. We plan to open-source the framework for the community (https://github.com/qcri/LLMeBench/). A video demonstrating the framework is available online (https://youtu.be/FkQn4UjYA0s).

The DocRED dataset is one of the most popular and widely used benchmarks for document-level relation extraction (RE). It adopts a recommend-revise annotation scheme so as to have a large-scale annotated dataset. However, we find that the annotation of DocRED is incomplete, i.e., false negative samples are prevalent. We analyze the causes and effects of the overwhelming false negative problem in the DocRED dataset. To address the shortcoming, we re-annotate 4,053 documents in the DocRED dataset by adding the missed relation triples back to the original DocRED. We name our revised DocRED dataset Re-DocRED. We conduct extensive experiments with state-of-the-art neural models on both datasets, and the experimental results show that the models trained and evaluated on our Re-DocRED achieve performance improvements of around 13 F1 points. Moreover, we conduct a comprehensive analysis to identify the potential areas for further improvement. Our dataset is publicly available at https://github.com/tonytan48/Re-DocRED.

Adversarial robustness often comes at the cost of degraded accuracy, impeding the real-life application of robust classification models. Training-based solutions for better trade-offs are limited by incompatibilities with already-trained high-performance large models, necessitating the exploration of training-free ensemble approaches. Observing that robust models are more confident in correct predictions than in incorrect ones on clean and adversarial data alike, we speculate amplifying this "benign confidence property" can reconcile accuracy and robustness in an ensemble setting. To achieve so, we propose "MixedNUTS", a training-free method where the output logits of a robust classifier and a standard non-robust classifier are processed by nonlinear transformations with only three parameters, which are optimized through an efficient algorithm. MixedNUTS then converts the transformed logits into probabilities and mixes them as the overall output. On CIFAR-10, CIFAR-100, and ImageNet datasets, experimental results with custom strong adaptive attacks demonstrate MixedNUTS's vastly improved accuracy and near-SOTA robustness -- it boosts CIFAR-100 clean accuracy by 7.86 points, sacrificing merely 0.87 points in robust accuracy.

Despite representing nearly one-third of the world's languages, African languages remain critically underserved by modern NLP technologies, with 88\% classified as severely underrepresented or completely ignored in computational linguistics. We present the African Languages Lab (All Lab), a comprehensive research initiative that addresses this technological gap through systematic data collection, model development, and capacity building. Our contributions include: (1) a quality-controlled data collection pipeline, yielding the largest validated African multi-modal speech and text dataset spanning 40 languages with 19 billion tokens of monolingual text and 12,628 hours of aligned speech data; (2) extensive experimental validation demonstrating that our dataset, combined with fine-tuning, achieves substantial improvements over baseline models, averaging +23.69 ChrF++, +0.33 COMET, and +15.34 BLEU points across 31 evaluated languages; and (3) a structured research program that has successfully mentored fifteen early-career researchers, establishing sustainable local capacity. Our comparative evaluation against Google Translate reveals competitive performance in several languages while identifying areas that require continued development.

In their recent Nature Human Behaviour paper, "Emergent analogical reasoning in large language models," (Webb, Holyoak, and Lu, 2023) the authors argue that "large language models such as GPT-3 have acquired an emergent ability to find zero-shot solutions to a broad range of analogy problems." In this response, we provide counterexamples of the letter string analogies. In our tests, GPT-3 fails to solve even the easiest variants of the problems presented in the original paper. Zero-shot reasoning is an extraordinary claim that requires extraordinary evidence. We do not see that evidence in our experiments. To strengthen claims of humanlike reasoning such as zero-shot reasoning, it is important that the field develop approaches that rule out data memorization.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

With the widespread use of biometric systems, the demographic bias problem raises more attention. Although many studies addressed bias issues in biometric verification, there are no works that analyze the bias in presentation attack detection (PAD) decisions. Hence, we investigate and analyze the demographic bias in iris PAD algorithms in this paper. To enable a clear discussion, we adapt the notions of differential performance and differential outcome to the PAD problem. We study the bias in iris PAD using three baselines (hand-crafted, transfer-learning, and training from scratch) using the NDCLD-2013 database. The experimental results point out that female users will be significantly less protected by the PAD, in comparison to males.

This article presents a review about the main CERN n\_TOF contributions to the field of neutron-capture experiments of interest for s-process nucleosynthesis studies over the last 25 years, with special focus on the measurement of radioactive isotopes. A few recent capture experiments on stable isotopes of astrophysical interest are also discussed. Results on s-process branching nuclei are appropriate to illustrate how advances in detection systems and upgrades in the facility have enabled increasingly challenging experiments and, as a consequence, have led to a better understanding and modeling of the s-process mechanism of nucleosynthesis. New endeavors combining radioactive-ion beams from ISOLDE for the production of radioisotopically pure samples for activation experiments at the new NEAR facility at n\_TOF are briefly discussed. On the basis of these new exciting results, also current limitations of state-of-the-art TOF and activation techniques will be depicted, thereby showing the pressing need for further upgrades and enhancements on both facilities and detection systems. A brief account of the potential technique based on inverse kinematics for direct neutron-capture measurements is also presented.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Wavefront shaping is a technique for directing light through turbid media. The theoretical aspects of wavefront shaping are well understood, and under near-ideal experimental conditions, accurate predictions for the expected signal enhancement can be given. In practice, however, there are many experimental factors that negatively affect the outcome of the experiment. Here, we present a comprehensive overview of these experimental factors, including the effect of sample scattering properties, noise, and response of the spatial light modulator. We present simple means to identify experimental imperfections and to minimize their negative effect on the outcome of the experiment. This paper is accompanied by Python code for automatically quantifying experimental problems using the OpenWFS framework for running and simulating wavefront shaping experiments.

In this paper, we present empirical evidence of skills and directed exploration emerging from a simple RL algorithm long before any successful trials are observed. For example, in a manipulation task, the agent is given a single observation of the goal state and learns skills, first for moving its end-effector, then for pushing the block, and finally for picking up and placing the block. These skills emerge before the agent has ever successfully placed the block at the goal location and without the aid of any reward functions, demonstrations, or manually-specified distance metrics. Once the agent has learned to reach the goal state reliably, exploration is reduced. Implementing our method involves a simple modification of prior work and does not require density estimates, ensembles, or any additional hyperparameters. Intuitively, the proposed method seems like it should be terrible at exploration, and we lack a clear theoretical understanding of why it works so effectively, though our experiments provide some hints.

This paper reports on the second "Throughput" phase of the Tracking Machine Learning (TrackML) challenge on the Codalab platform. As in the first "Accuracy" phase, the participants had to solve a difficult experimental problem linked to tracking accurately the trajectory of particles as e.g. created at the Large Hadron Collider (LHC): given O(10^5) points, the participants had to connect them into O(10^4) individual groups that represent the particle trajectories which are approximated helical. While in the first phase only the accuracy mattered, the goal of this second phase was a compromise between the accuracy and the speed of inference. Both were measured on the Codalab platform where the participants had to upload their software. The best three participants had solutions with good accuracy and speed an order of magnitude faster than the state of the art when the challenge was designed. Although the core algorithms were less diverse than in the first phase, a diversity of techniques have been used and are described in this paper. The performance of the algorithms are analysed in depth and lessons derived.

While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integrated Thinking - Physics Test, pronounced "critical point"), the first benchmark designed to test LLMs on unpublished, research-level reasoning tasks that broadly covers modern physics research areas, including condensed matter, quantum physics, atomic, molecular & optical physics, astrophysics, high energy physics, mathematical physics, statistical physics, nuclear physics, nonlinear dynamics, fluid dynamics and biophysics. CritPt consists of 71 composite research challenges designed to simulate full-scale research projects at the entry level, which are also decomposed to 190 simpler checkpoint tasks for more fine-grained insights. All problems are newly created by 50+ active physics researchers based on their own research. Every problem is hand-curated to admit a guess-resistant and machine-verifiable answer and is evaluated by an automated grading pipeline heavily customized for advanced physics-specific output formats. We find that while current state-of-the-art LLMs show early promise on isolated checkpoints, they remain far from being able to reliably solve full research-scale challenges: the best average accuracy among base models is only 4.0% , achieved by GPT-5 (high), moderately rising to around 10% when equipped with coding tools. Through the realistic yet standardized evaluation offered by CritPt, we highlight a large disconnect between current model capabilities and realistic physics research demands, offering a foundation to guide the development of scientifically grounded AI tools.

Shojaee et al. (2025) report that Large Reasoning Models (LRMs) exhibit "accuracy collapse" on planning puzzles beyond certain complexity thresholds. We demonstrate that their findings primarily reflect experimental design limitations rather than fundamental reasoning failures. Our analysis reveals three critical issues: (1) Tower of Hanoi experiments systematically exceed model output token limits at reported failure points, with models explicitly acknowledging these constraints in their outputs; (2) The authors' automated evaluation framework fails to distinguish between reasoning failures and practical constraints, leading to misclassification of model capabilities; (3) Most concerningly, their River Crossing benchmarks include mathematically impossible instances for N > 5 due to insufficient boat capacity, yet models are scored as failures for not solving these unsolvable problems. When we control for these experimental artifacts, by requesting generating functions instead of exhaustive move lists, preliminary experiments across multiple models indicate high accuracy on Tower of Hanoi instances previously reported as complete failures. These findings highlight the importance of careful experimental design when evaluating AI reasoning capabilities.

We introduce a new type of test, called a Turing Experiment (TE), for evaluating how well a language model, such as GPT-3, can simulate different aspects of human behavior. Unlike the Turing Test, which involves simulating a single arbitrary individual, a TE requires simulating a representative sample of participants in human subject research. We give TEs that attempt to replicate well-established findings in prior studies. We design a methodology for simulating TEs and illustrate its use to compare how well different language models are able to reproduce classic economic, psycholinguistic, and social psychology experiments: Ultimatum Game, Garden Path Sentences, Milgram Shock Experiment, and Wisdom of Crowds. In the first three TEs, the existing findings were replicated using recent models, while the last TE reveals a "hyper-accuracy distortion" present in some language models.

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

The decay of metastable 'false vacuum' states via bubble nucleation plays a crucial role in many cosmological scenarios. Cold-atom analog experiments will soon provide the first empirical probes of this process, with potentially far-reaching implications for early-Universe cosmology and high-energy physics. However, an inevitable difference between these analog systems and the early Universe is that the former have a boundary. We show, using a combination of Euclidean calculations and real-time lattice simulations, that these boundaries generically cause rapid bubble nucleation on the edge of the experiment, obscuring the bulk nucleation that is relevant for cosmology. We demonstrate that implementing a high-density 'trench' region at the boundary completely eliminates this problem, and recovers the desired cosmological behavior. Our findings are relevant for ongoing efforts to probe vacuum decay in the laboratory, providing a practical solution to a key experimental obstacle.

Early warning signals have been proposed to forecast the possibility of a critical transition, such as the eutrophication of a lake, the collapse of a coral reef, or the end of a glacial period. Because such transitions often unfold on temporal and spatial scales that can be difficult to approach by experimental manipulation, research has often relied on historical observations as a source of natural experiments. Here we examine a critical difference between selecting systems for study based on the fact that we have observed a critical transition and those systems for which we wish to forecast the approach of a transition. This difference arises by conditionally selecting systems known to experience a transition of some sort and failing to account for the bias this introduces -- a statistical error often known as the Prosecutor's Fallacy. By analysing simulated systems that have experienced transitions purely by chance, we reveal an elevated rate of false positives in common warning signal statistics. We further demonstrate a model-based approach that is less subject to this bias than these more commonly used summary statistics. We note that experimental studies with replicates avoid this pitfall entirely.

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

Designing rewards for Reinforcement Learning (RL) is challenging because it needs to convey the desired task, be efficient to optimize, and be easy to compute. The latter is particularly problematic when applying RL to robotics, where detecting whether the desired configuration is reached might require considerable supervision and instrumentation. Furthermore, we are often interested in being able to reach a wide range of configurations, hence setting up a different reward every time might be unpractical. Methods like Hindsight Experience Replay (HER) have recently shown promise to learn policies able to reach many goals, without the need of a reward. Unfortunately, without tricks like resetting to points along the trajectory, HER might require many samples to discover how to reach certain areas of the state-space. In this work we investigate different approaches to incorporate demonstrations to drastically speed up the convergence to a policy able to reach any goal, also surpassing the performance of an agent trained with other Imitation Learning algorithms. Furthermore, we show our method can also be used when the available expert trajectories do not contain the actions, which can leverage kinesthetic or third person demonstration. The code is available at https://sites.google.com/view/goalconditioned-il/.

We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.

The J-PARC Hadron Experimental Facility was constructed with an aim to explore the origin and evolution of matter in the universe through the experiments with intense particle beams. In the past decade, many results on particle and nuclear physics have been obtained at the present facility. To expand the physics programs to unexplored regions never achieved, the extension project of the Hadron Experimental Facility has been extensively discussed. This white paper presents the physics of the extension of the Hadron Experimental Facility for resolving the issues in the fields of the strangeness nuclear physics, hadron physics, and flavor physics.

In this research, we compare four different evaluation methods in coevolution on the Majority Function problem. The size of the problem is selected such that evaluation against all possible test cases is feasible. Two measures are used for the comparisons, i.e., the objective fitness derived from evaluating solutions against all test cases, and the objective fitness correlation (OFC), which is defined as the correlation coefficient between subjective and objective fitness. The results of our experiments suggest that a combination of average score and weighted informativeness may provide a more accurate evaluation in coevolution. In order to confirm this difference, a series of t-tests on the preference between each pair of the evaluation methods is performed. The resulting significance is affirmative, and the tests for two quality measures show similar preference on four evaluation methods. %This study is the first time OFC is actually computed on a real problem. Experiments on Majority Function problems with larger sizes and Parity problems are in progress, and their results will be added in the final version.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

I argue that data becomes temporarily interesting by itself to some self-improving, but computationally limited, subjective observer once he learns to predict or compress the data in a better way, thus making it subjectively simpler and more beautiful. Curiosity is the desire to create or discover more non-random, non-arbitrary, regular data that is novel and surprising not in the traditional sense of Boltzmann and Shannon but in the sense that it allows for compression progress because its regularity was not yet known. This drive maximizes interestingness, the first derivative of subjective beauty or compressibility, that is, the steepness of the learning curve. It motivates exploring infants, pure mathematicians, composers, artists, dancers, comedians, yourself, and (since 1990) artificial systems.

The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining intermediate interactions between reactants, as well as for identifying final products. It is shown that even a small number of components can lead to a large number of final and intermediate products. Through concrete calculations, a correlation is established between the number of possible chemical equations and the number of reactants. A methodology is proposed for computing all possible chemical equations within a reaction system for arbitrary component ratios, enabling the derivation of all feasible chemical reactions. Additionally, a method is developed for calculating the chemical composition for a fixed set of reactants, allowing for the evaluation of the set of products resulting from all possible chemical interactions given a specified initial composition.

Instrumental variable (IV) methods are used to estimate causal effects in settings with unobserved confounding, where we cannot directly experiment on the treatment variable. Instruments are variables which only affect the outcome indirectly via the treatment variable(s). Most IV applications focus on low-dimensional treatments and crucially require at least as many instruments as treatments. This assumption is restrictive: in the natural sciences we often seek to infer causal effects of high-dimensional treatments (e.g., the effect of gene expressions or microbiota on health and disease), but can only run few experiments with a limited number of instruments (e.g., drugs or antibiotics). In such underspecified problems, the full treatment effect is not identifiable in a single experiment even in the linear case. We show that one can still reliably recover the projection of the treatment effect onto the instrumented subspace and develop techniques to consistently combine such partial estimates from different sets of instruments. We then leverage our combined estimators in an algorithm that iteratively proposes the most informative instruments at each round of experimentation to maximize the overall information about the full causal effect.

We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and simulated using finite-element electromagnetic solvers. We present a robust workflow for achieving high accuracy on design simulations. Many designs in the database are experimentally validated, showing excellent agreement between simulated and measured parameters. Our database includes a front-end interface that allows users to generate ``best-guess'' designs based on desired circuit parameters. This project lowers the barrier to entry for research groups seeking to make a new class of devices by providing them a well-characterized starting point from which to refine their designs.

In this report, we survey Bayesian Optimization methods focussed on the Multi-Armed Bandit Problem. We take the help of the paper "Portfolio Allocation for Bayesian Optimization". We report a small literature survey on the acquisition functions and the types of portfolio strategies used in papers discussing Bayesian Optimization. We also replicate the experiments and report our findings and compare them to the results in the paper. Code link: https://colab.research.google.com/drive/1GZ14klEDoe3dcBeZKo5l8qqrKf_GmBDn?usp=sharing#scrollTo=XgIBau3O45_V.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

Historically, artificial intelligence has drawn much inspiration from neuroscience to fuel advances in the field. However, current progress in reinforcement learning is largely focused on benchmark problems that fail to capture many of the aspects that are of interest in neuroscience today. We illustrate this point by extending a T-maze task from neuroscience for use with reinforcement learning algorithms, and show that state-of-the-art algorithms are not capable of solving this problem. Finally, we point out where insights from neuroscience could help explain some of the issues encountered.

We report an optical method of generating arbitrary polarization states by manipulating the thicknesses of a pair of uniaxial birefringent plates, the optical axes of which are set at a crossing angle of {\pi}/4. The method has the remarkable feature of being able to generate a distribution of arbitrary polarization states in a group of highly discrete spectra without spatially separating the individual spectral components. The target polarization-state distribution is obtained as an optimal solution through an exploration. Within a realistic exploration range, a sufficient number of near-optimal solutions are found. This property is also reproduced well by a concise model based on a distribution of exploration points on a Poincar\'e sphere, showing that the number of near-optimal solutions behaves according to a power law with respect to the number of spectral components of concern. As a typical example of an application, by applying this method to a set of phase-locked highly discrete spectra, we numerically demonstrate the continuous generation of a vector-like optical electric field waveform, the helicity of which is alternated within a single optical cycle in the time domain.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

Despite its importance to experimental design, statistical power (the probability that, given a real effect, an experiment will reject the null hypothesis) has largely been ignored by the NLP community. Underpowered experiments make it more difficult to discern the difference between statistical noise and meaningful model improvements, and increase the chances of exaggerated findings. By meta-analyzing a set of existing NLP papers and datasets, we characterize typical power for a variety of settings and conclude that underpowered experiments are common in the NLP literature. In particular, for several tasks in the popular GLUE benchmark, small test sets mean that most attempted comparisons to state of the art models will not be adequately powered. Similarly, based on reasonable assumptions, we find that the most typical experimental design for human rating studies will be underpowered to detect small model differences, of the sort that are frequently studied. For machine translation, we find that typical test sets of 2000 sentences have approximately 75% power to detect differences of 1 BLEU point. To improve the situation going forward, we give an overview of best practices for power analysis in NLP and release a series of notebooks to assist with future power analyses.

In many real-world scenarios, rewards extrinsic to the agent are extremely sparse, or absent altogether. In such cases, curiosity can serve as an intrinsic reward signal to enable the agent to explore its environment and learn skills that might be useful later in its life. We formulate curiosity as the error in an agent's ability to predict the consequence of its own actions in a visual feature space learned by a self-supervised inverse dynamics model. Our formulation scales to high-dimensional continuous state spaces like images, bypasses the difficulties of directly predicting pixels, and, critically, ignores the aspects of the environment that cannot affect the agent. The proposed approach is evaluated in two environments: VizDoom and Super Mario Bros. Three broad settings are investigated: 1) sparse extrinsic reward, where curiosity allows for far fewer interactions with the environment to reach the goal; 2) exploration with no extrinsic reward, where curiosity pushes the agent to explore more efficiently; and 3) generalization to unseen scenarios (e.g. new levels of the same game) where the knowledge gained from earlier experience helps the agent explore new places much faster than starting from scratch. Demo video and code available at https://pathak22.github.io/noreward-rl/

Science and Engineering fairs offer K-12 students opportunities to engage with authentic STEM practices. Particularly, students are given the chance to experience authentic and open inquiry processes, by defining which themes, questions and approaches will guide their scientific endeavors. In this study, we analyzed data from over 5,000 projects presented at a nationwide science fair in Brazil over the past 20 years using topic modeling to identify the main topics that have driven students' inquiry and design. Our analysis identified a broad range of topics being explored, with significant variations over time, region, and school setting. We argue those results and proposed methodology can not only support further research in the context of science fairs, but also inform instruction and design of contexts-specific resources to support students in open inquiry experiences in different settings.

Rapid advancement of machine learning solutions has often coincided with the production of a test public data set. Such datasets reduce the largest barrier to entry for tackling a problem -- procuring data -- while also providing a benchmark to compare different solutions. Furthermore, large datasets have been used to train high-performing feature finders which are then used in new approaches to problems beyond that initially defined. In order to encourage the rapid development in the analysis of data collected using liquid argon time projection chambers, a class of particle detectors used in high energy physics experiments, we have produced the PILArNet, first 2D and 3D open dataset to be used for a couple of key analysis tasks. The initial dataset presented in this paper contains 300,000 samples simulated and recorded in three different volume sizes. The dataset is stored efficiently in sparse 2D and 3D matrix format with auxiliary information about simulated particles in the volume, and is made available for public research use. In this paper we describe the dataset, tasks, and the method used to procure the sample.

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of producing research autonomously, they do so in isolation, without the ability to continuously improve upon prior research results. To address these challenges, we introduce AgentRxiv-a framework that lets LLM agent laboratories upload and retrieve reports from a shared preprint server in order to collaborate, share insights, and iteratively build on each other's research. We task agent laboratories to develop new reasoning and prompting techniques and find that agents with access to their prior research achieve higher performance improvements compared to agents operating in isolation (11.4% relative improvement over baseline on MATH-500). We find that the best performing strategy generalizes to benchmarks in other domains (improving on average by 3.3%). Multiple agent laboratories sharing research through AgentRxiv are able to work together towards a common goal, progressing more rapidly than isolated laboratories, achieving higher overall accuracy (13.7% relative improvement over baseline on MATH-500). These findings suggest that autonomous agents may play a role in designing future AI systems alongside humans. We hope that AgentRxiv allows agents to collaborate toward research goals and enables researchers to accelerate discovery.

Analogical reasoning is a unique ability of humans to address unfamiliar challenges by transferring strategies from relevant past experiences. One key finding in psychology is that compared with irrelevant past experiences, recalling relevant ones can help humans better handle new tasks. Coincidentally, the NLP community has also recently found that self-generating relevant examples in the context can help large language models (LLMs) better solve a given problem than hand-crafted prompts. However, it is yet not clear whether relevance is the key factor eliciting such capability, i.e., can LLMs benefit more from self-generated relevant examples than irrelevant ones? In this work, we systematically explore whether LLMs can truly perform analogical reasoning on a diverse set of reasoning tasks. With extensive experiments and analysis, we show that self-generated random examples can surprisingly achieve comparable or even better performance, e.g., 4% performance boost on GSM8K with random biological examples. We find that the accuracy of self-generated examples is the key factor and subsequently design two improved methods with significantly reduced inference costs. Overall, we aim to advance a deeper understanding of LLM analogical reasoning and hope this work stimulates further research in the design of self-generated contexts.

Null Hypothesis Significance Testing is the de facto tool for assessing effectiveness differences between Information Retrieval systems. Researchers use statistical tests to check whether those differences will generalise to online settings or are just due to the samples observed in the laboratory. Much work has been devoted to studying which test is the most reliable when comparing a pair of systems, but most of the IR real-world experiments involve more than two. In the multiple comparisons scenario, testing several systems simultaneously may inflate the errors committed by the tests. In this paper, we use a new approach to assess the reliability of multiple comparison procedures using simulated and real TREC data. Experiments show that Wilcoxon plus the Benjamini-Hochberg correction yields Type I error rates according to the significance level for typical sample sizes while being the best test in terms of statistical power.

The first direct detection of neutrinos at the LHC not only marks the beginning of a novel collider neutrino program at CERN but also motivates considering additional neutrino detectors to fully exploit the associated physics potential. We investigate the feasibility and physics potential of neutrino experiments located at the surface-level. A topographic desk study was performed to identify all points at which the LHC's neutrino beams exit the earth. The closest location lies about 9 km east of the CMS interaction point, at the bottom of Lake Geneva. Several detectors to be placed at this location are considered, including a water Cherenkov detector and an emulsion detector. The detector concepts are introduced, and projections for their contribution to the LHC forward neutrino program and searches for dark sector particles are presented. However, the dilution of the neutrino flux over distance reduces the neutrino yield significantly, limiting the physics potential of surface-level detectors compared to ones closer to the interaction point, including the proposed FPF.

AI video generation is undergoing a revolution, with quality and realism advancing rapidly. These advances have led to a passionate scientific debate: Do video models learn ``world models'' that discover laws of physics -- or, alternatively, are they merely sophisticated pixel predictors that achieve visual realism without understanding the physical principles of reality? We address this question by developing Physics-IQ, a comprehensive benchmark dataset that can only be solved by acquiring a deep understanding of various physical principles, like fluid dynamics, optics, solid mechanics, magnetism and thermodynamics. We find that across a range of current models (Sora, Runway, Pika, Lumiere, Stable Video Diffusion, and VideoPoet), physical understanding is severely limited, and unrelated to visual realism. At the same time, some test cases can already be successfully solved. This indicates that acquiring certain physical principles from observation alone may be possible, but significant challenges remain. While we expect rapid advances ahead, our work demonstrates that visual realism does not imply physical understanding. Our project page is at https://physics-iq.github.io; code at https://github.com/google-deepmind/physics-IQ-benchmark.

We consider the problem of performing Bayesian inference in probabilistic models where observations are accompanied by uncertainty, referred to as "uncertain evidence." We explore how to interpret uncertain evidence, and by extension the importance of proper interpretation as it pertains to inference about latent variables. We consider a recently-proposed method "distributional evidence" as well as revisit two older methods: Jeffrey's rule and virtual evidence. We devise guidelines on how to account for uncertain evidence and we provide new insights, particularly regarding consistency. To showcase the impact of different interpretations of the same uncertain evidence, we carry out experiments in which one interpretation is defined as "correct." We then compare inference results from each different interpretation illustrating the importance of careful consideration of uncertain evidence.

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Exposure to large language model output is rapidly increasing. How will seeing AI-generated ideas affect human ideas? We conducted an experiment (800+ participants, 40+ countries) where participants viewed creative ideas that were from ChatGPT or prior experimental participants and then brainstormed their own idea. We varied the number of AI-generated examples (none, low, or high exposure) and if the examples were labeled as 'AI' (disclosure). Our dynamic experiment design -- ideas from prior participants in an experimental condition are used as stimuli for future participants in the same experimental condition -- mimics the interdependent process of cultural creation: creative ideas are built upon prior ideas. Hence, we capture the compounding effects of having LLMs 'in the culture loop'. We find that high AI exposure (but not low AI exposure) did not affect the creativity of individual ideas but did increase the average amount and rate of change of collective idea diversity. AI made ideas different, not better. There were no main effects of disclosure. We also found that self-reported creative people were less influenced by knowing an idea was from AI, and that participants were more likely to knowingly adopt AI ideas when the task was difficult. Our findings suggest that introducing AI ideas into society may increase collective diversity but not individual creativity.

Given the growing importance of AI literacy, we decided to write this tutorial to help narrow the gap between the discourse among those who study language models -- the core technology underlying ChatGPT and similar products -- and those who are intrigued and want to learn more about them. In short, we believe the perspective of researchers and educators can add some clarity to the public's understanding of the technologies beyond what's currently available, which tends to be either extremely technical or promotional material generated about products by their purveyors. Our approach teases apart the concept of a language model from products built on them, from the behaviors attributed to or desired from those products, and from claims about similarity to human cognition. As a starting point, we (1) offer a scientific viewpoint that focuses on questions amenable to study through experimentation; (2) situate language models as they are today in the context of the research that led to their development; and (3) describe the boundaries of what is known about the models at this writing.

The human intrinsic desire to pursue knowledge, also known as curiosity, is considered essential in the process of skill acquisition. With the aid of artificial curiosity, we could equip current techniques for control, such as Reinforcement Learning, with more natural exploration capabilities. A promising approach in this respect has consisted of using Bayesian surprise on model parameters, i.e. a metric for the difference between prior and posterior beliefs, to favour exploration. In this contribution, we propose to apply Bayesian surprise in a latent space representing the agent's current understanding of the dynamics of the system, drastically reducing the computational costs. We extensively evaluate our method by measuring the agent's performance in terms of environment exploration, for continuous tasks, and looking at the game scores achieved, for video games. Our model is computationally cheap and compares positively with current state-of-the-art methods on several problems. We also investigate the effects caused by stochasticity in the environment, which is often a failure case for curiosity-driven agents. In this regime, the results suggest that our approach is resilient to stochastic transitions.

In Marius von Senden's Space and Sight, a newly sighted blind patient describes the experience of a corner as lemon-like, because corners "prick" sight like lemons prick the tongue. Prickliness, here, is a dimension in the feature space of sensory experience, an effect of the perceived on the perceiver that arises where the two interact. In the account of the newly sighted, an effect familiar from one interaction translates to a novel context. Perception serves as the vehicle for generalization, in that an effect shared across different experiences produces a concrete abstraction grounded in those experiences. Cezanne and the post-impressionists, fluent in the language of experience translation, realized that the way to paint a concrete form that best reflected reality was to paint not what they saw, but what it was like to see. We envision a future of creation using AI where what it is like to see is replicable, transferrable, manipulable - part of the artist's palette that is both grounded in a particular context, and generalizable beyond it. An active line of research maps human-interpretable features onto directions in GAN latent space. Supervised and self-supervised approaches that search for anticipated directions or use off-the-shelf classifiers to drive image manipulation in embedding space are limited in the variety of features they can uncover. Unsupervised approaches that discover useful new directions show that the space of perceptually meaningful directions is nowhere close to being fully mapped. As this space is broad and full of creative potential, we want tools for direction discovery that capture the richness and generalizability of human perception. Our approach puts creators in the discovery loop during real-time tool use, in order to identify directions that are perceptually meaningful to them, and generate interpretable image translations along those directions.

Large Language Models (LLMs), such as ChatGPT, are quickly advancing AI to the frontiers of practical consumer use and leading industries to re-evaluate how they allocate resources for content production. Authoring of open educational resources and hint content within adaptive tutoring systems is labor intensive. Should LLMs like ChatGPT produce educational content on par with human-authored content, the implications would be significant for further scaling of computer tutoring system approaches. In this paper, we conduct the first learning gain evaluation of ChatGPT by comparing the efficacy of its hints with hints authored by human tutors with 77 participants across two algebra topic areas, Elementary Algebra and Intermediate Algebra. We find that 70% of hints produced by ChatGPT passed our manual quality checks and that both human and ChatGPT conditions produced positive learning gains. However, gains were only statistically significant for human tutor created hints. Learning gains from human-created hints were substantially and statistically significantly higher than ChatGPT hints in both topic areas, though ChatGPT participants in the Intermediate Algebra experiment were near ceiling and not even with the control at pre-test. We discuss the limitations of our study and suggest several future directions for the field. Problem and hint content used in the experiment is provided for replicability.

The field of Deep Learning (DL) has undergone explosive growth during the last decade, with a substantial impact on Natural Language Processing (NLP) as well. Yet, compared to more established disciplines, a lack of common experimental standards remains an open challenge to the field at large. Starting from fundamental scientific principles, we distill ongoing discussions on experimental standards in NLP into a single, widely-applicable methodology. Following these best practices is crucial to strengthen experimental evidence, improve reproducibility and support scientific progress. These standards are further collected in a public repository to help them transparently adapt to future needs.

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

Novel view synthesis is an important problem with many applications, including AR/VR, gaming, and simulations for robotics. With the recent rapid development of Neural Radiance Fields (NeRFs) and 3D Gaussian Splatting (3DGS) methods, it is becoming difficult to keep track of the current state of the art (SoTA) due to methods using different evaluation protocols, codebases being difficult to install and use, and methods not generalizing well to novel 3D scenes. Our experiments support this claim by showing that tiny differences in evaluation protocols of various methods can lead to inconsistent reported metrics. To address these issues, we propose a framework called NerfBaselines, which simplifies the installation of various methods, provides consistent benchmarking tools, and ensures reproducibility. We validate our implementation experimentally by reproducing numbers reported in the original papers. To further improve the accessibility, we release a web platform where commonly used methods are compared on standard benchmarks. Web: https://jkulhanek.com/nerfbaselines

We advance the study of incentivized bandit exploration, in which arm choices are viewed as recommendations and are required to be Bayesian incentive compatible. Recent work has shown under certain independence assumptions that after collecting enough initial samples, the popular Thompson sampling algorithm becomes incentive compatible. We give an analog of this result for linear bandits, where the independence of the prior is replaced by a natural convexity condition. This opens up the possibility of efficient and regret-optimal incentivized exploration in high-dimensional action spaces. In the semibandit model, we also improve the sample complexity for the pre-Thompson sampling phase of initial data collection.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.

Curiosity-based reward schemes can present powerful exploration mechanisms which facilitate the discovery of solutions for complex, sparse or long-horizon tasks. However, as the agent learns to reach previously unexplored spaces and the objective adapts to reward new areas, many behaviours emerge only to disappear due to being overwritten by the constantly shifting objective. We argue that merely using curiosity for fast environment exploration or as a bonus reward for a specific task does not harness the full potential of this technique and misses useful skills. Instead, we propose to shift the focus towards retaining the behaviours which emerge during curiosity-based learning. We posit that these self-discovered behaviours serve as valuable skills in an agent's repertoire to solve related tasks. Our experiments demonstrate the continuous shift in behaviour throughout training and the benefits of a simple policy snapshot method to reuse discovered behaviour for transfer tasks.

Foundation Models are neural networks that are capable of simultaneously solving many problems. Large Language Foundation Models like ChatGPT have revolutionized many aspects of daily life, but their impact for science is not yet clear. In this paper, we use a new Foundation Model for hadronic jets to solve three key challenges in collider physics. In particular, we show how experiments can (1) save significant computing power when developing reconstruction algorithms, (2) perform a complete uncertainty quantification for high-dimensional measurements, and (3) search for new physics with model agnostic methods using low-level inputs. In each case, there are significant computational or methodological challenges with current methods that limit the science potential of deep learning algorithms. By solving each problem, we take jet Foundation Models beyond proof-of-principle studies and into the toolkit of practitioners.

AI models like GPT-5 are an increasingly valuable tool for scientists, but many remain unaware of the capabilities of frontier AI. We present a collection of short case studies in which GPT-5 produced new, concrete steps in ongoing research across mathematics, physics, astronomy, computer science, biology, and materials science. In these examples, the authors highlight how AI accelerated their work, and where it fell short; where expert time was saved, and where human input was still key. We document the interactions of the human authors with GPT-5, as guiding examples of fruitful collaboration with AI. Of note, this paper includes four new results in mathematics (carefully verified by the human authors), underscoring how GPT-5 can help human mathematicians settle previously unsolved problems. These contributions are modest in scope but profound in implication, given the rate at which frontier AI is progressing.

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

Full quantum tomography of high-dimensional quantum systems is experimentally infeasible due to the exponential scaling of the number of required measurements on the number of qubits in the system. However, several ideas were proposed recently for predicting the limited number of features for these states, or estimating the expectation values of operators, without the need for full state reconstruction. These ideas go under the general name of shadow tomography. Here we provide an experimental demonstration of property estimation based on classical shadows proposed in [H.-Y. Huang, R. Kueng, J. Preskill. Nat. Phys. https://doi.org/10.1038/s41567-020-0932-7 (2020)] and study its performance in the quantum optical experiment with high-dimensional spatial states of photons. We show on experimental data how this procedure outperforms conventional state reconstruction in fidelity estimation from a limited number of measurements.

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".

Temporal Point Processes (TPP) are probabilistic generative frameworks. They model discrete event sequences localized in continuous time. Generally, real-life events reveal descriptive information, known as marks. Marked TPPs model time and marks of the event together for practical relevance. Conditioned on past events, marked TPPs aim to learn the joint distribution of the time and the mark of the next event. For simplicity, conditionally independent TPP models assume time and marks are independent given event history. They factorize the conditional joint distribution of time and mark into the product of individual conditional distributions. This structural limitation in the design of TPP models hurt the predictive performance on entangled time and mark interactions. In this work, we model the conditional inter-dependence of time and mark to overcome the limitations of conditionally independent models. We construct a multivariate TPP conditioning the time distribution on the current event mark in addition to past events. Besides the conventional intensity-based models for conditional joint distribution, we also draw on flexible intensity-free TPP models from the literature. The proposed TPP models outperform conditionally independent and dependent models in standard prediction tasks. Our experimentation on various datasets with multiple evaluation metrics highlights the merit of the proposed approach.

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.

With the spread of the use of Text2Img diffusion models such as DALL-E 2, Imagen, Mid Journey and Stable Diffusion, one challenge that artists face is selecting the right prompts to achieve the desired artistic output. We present techniques for measuring the effect that specific words and phrases in prompts have, and (in the Appendix) present guidance on the selection of prompts to produce desired effects.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature review, generate hypotheses, conduct experiments, and analyze results. This survey provides a comprehensive overview of Agentic AI for scientific discovery, categorizing existing systems and tools, and highlighting recent progress across fields such as chemistry, biology, and materials science. We discuss key evaluation metrics, implementation frameworks, and commonly used datasets to offer a detailed understanding of the current state of the field. Finally, we address critical challenges, such as literature review automation, system reliability, and ethical concerns, while outlining future research directions that emphasize human-AI collaboration and enhanced system calibration.

Large Language Models (LLMs) have shown promise in accelerating the scientific research pipeline. A key capability for this process is the ability to generate novel research ideas, and prior studies have found settings in which LLM-generated research ideas were judged as more novel than human-expert ideas. However, a good idea should not simply appear to be novel, it should also result in better research after being executed. To test whether AI-generated ideas lead to better research outcomes, we conduct an execution study by recruiting 43 expert researchers to execute randomly-assigned ideas, either written by experts or generated by an LLM. Each expert spent over 100 hours implementing the idea and wrote a 4-page short paper to document the experiments. All the executed projects are then reviewed blindly by expert NLP researchers. Comparing the review scores of the same ideas before and after execution, the scores of the LLM-generated ideas decrease significantly more than expert-written ideas on all evaluation metrics (novelty, excitement, effectiveness, and overall; p < 0.05), closing the gap between LLM and human ideas observed at the ideation stage. When comparing the aggregated review scores from the execution study, we even observe that for many metrics there is a flip in rankings where human ideas score higher than LLM ideas. This ideation-execution gap highlights the limitations of current LLMs in generating truly effective research ideas and the challenge of evaluating research ideas in the absence of execution outcomes.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

Investigating NLP through a philosophical lens has recently caught researcher's eyes as it connects computational methods with classical schools of philosophy. This paper introduces a philosophical approach inspired by the Hegelian Dialectic for LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and then synthesize new ideas by resolving the contradicting points. Moreover, this paper investigates the effect of LLMs' temperature for generation by establishing a dynamic annealing approach, which promotes the creativity in the early stages and gradually refines it by focusing on the nuances, as well as a fixed temperature strategy for generation. Our proposed approach is examined to determine its ability to generate novel ideas from an initial proposition. Additionally, a Multi Agent Majority Voting (MAMV) strategy is leveraged to assess the validity and novelty of the generated ideas, which proves beneficial in the absence of domain experts. Our experiments show promise in generating new ideas and provide a stepping stone for future research.

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects of research. However, key limitations persist: AI systems are often confined to virtual environments, while automated laboratories lack the flexibility and autonomy to adaptively test new hypotheses in the physical world. Recent advances in embodied AI, such as generalist robot foundation models, diffusion-based action policies, fine-grained manipulation learning, and sim-to-real transfer, highlight the promise of integrating cognitive and embodied intelligence. This convergence opens the door to closed-loop systems that support iterative, autonomous experimentation and the possibility of serendipitous discovery. In this position paper, we propose the paradigm of Intelligent Science Laboratories (ISLs): a multi-layered, closed-loop framework that deeply integrates cognitive and embodied intelligence. ISLs unify foundation models for scientific reasoning, agent-based workflow orchestration, and embodied agents for robust physical experimentation. We argue that such systems are essential for overcoming the current limitations of scientific discovery and for realizing the full transformative potential of AI-driven science.

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and reasoning on textbook-style science questions, but few if any benchmarks are designed to evaluate language model performance on practical tasks required for scientific research, such as literature search, protocol planning, and data analysis. As a step toward building such benchmarks, we introduce the Language Agent Biology Benchmark (LAB-Bench), a broad dataset of over 2,400 multiple choice questions for evaluating AI systems on a range of practical biology research capabilities, including recall and reasoning over literature, interpretation of figures, access and navigation of databases, and comprehension and manipulation of DNA and protein sequences. Importantly, in contrast to previous scientific benchmarks, we expect that an AI system that can achieve consistently high scores on the more difficult LAB-Bench tasks would serve as a useful assistant for researchers in areas such as literature search and molecular cloning. As an initial assessment of the emergent scientific task capabilities of frontier language models, we measure performance of several against our benchmark and report results compared to human expert biology researchers. We will continue to update and expand LAB-Bench over time, and expect it to serve as a useful tool in the development of automated research systems going forward. A public subset of LAB-Bench is available for use at the following URL: https://huggingface.co/datasets/futurehouse/lab-bench

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first head-to-head comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation. Finally, we acknowledge that human judgements of novelty can be difficult, even by experts, and propose an end-to-end study design which recruits researchers to execute these ideas into full projects, enabling us to study whether these novelty and feasibility judgements result in meaningful differences in research outcome.

Activation patching is a popular mechanistic interpretability technique, but has many subtleties regarding how it is applied and how one may interpret the results. We provide a summary of advice and best practices, based on our experience using this technique in practice. We include an overview of the different ways to apply activation patching and a discussion on how to interpret the results. We focus on what evidence patching experiments provide about circuits, and on the choice of metric and associated pitfalls.

Recent studies have shown LLMs possess some ability to improve their responses when given external feedback. However, it remains unclear how effectively and thoroughly these models can incorporate extrinsic feedback. In an ideal scenario, if LLMs receive near-perfect and complete feedback, we would expect them to fully integrate the feedback and change their incorrect answers to correct ones. In this paper, we systematically investigate LLMs' ability to incorporate feedback by designing a controlled experimental environment. For each problem, a solver model attempts a solution, then a feedback generator with access to near-complete ground-truth answers produces targeted feedback, after which the solver tries again. We evaluate this pipeline across a diverse range of tasks, including math reasoning, knowledge reasoning, scientific reasoning, and general multi-domain evaluations with state-of-the-art language models including Claude 3.7 (with and without extended thinking). Surprisingly, even under these near-ideal conditions, solver models consistently show resistance to feedback, a limitation that we term FEEDBACK FRICTION. To mitigate this limitation, we experiment with sampling-based strategies like progressive temperature increases and explicit rejection of previously attempted incorrect answers, which yield improvements but still fail to help models achieve target performance. We also perform a rigorous exploration of potential causes of FEEDBACK FRICTION, ruling out factors such as model overconfidence and data familiarity. We hope that highlighting this issue in LLMs and ruling out several apparent causes will help future research in self-improvement.

We automate deep step-by step reasoning in an LLM dialog thread by recursively exploring alternatives (OR-nodes) and expanding details (AND-nodes) up to a given depth. Starting from a single succinct task-specific initiator we steer the automated dialog thread to stay focussed on the task by synthesizing a prompt that summarizes the depth-first steps taken so far. Our algorithm is derived from a simple recursive descent implementation of a Horn Clause interpreter, except that we accommodate our logic engine to fit the natural language reasoning patterns LLMs have been trained on. Semantic similarity to ground-truth facts or oracle advice from another LLM instance is used to restrict the search space and validate the traces of justification steps returned as answers. At the end, the unique minimal model of a generated Horn Clause program collects the results of the reasoning process. As applications, we sketch implementations of consequence predictions, causal explanations, recommendation systems and topic-focussed exploration of scientific literature.