Preference optimization for diffusion and flow-matching models relies on reward functions that are both discriminatively robust and computationally efficient. Vision-Language Models (VLMs) have emerged as the primary reward provider, leveraging their rich multimodal priors to guide alignment. However, their computation and memory cost can be substantial, and optimizing a latent diffusion generator through a pixel-space reward introduces a domain mismatch that complicates alignment. In this paper, we propose DiNa-LRM, a diffusion-native latent reward model that formulates preference learning directly on noisy diffusion states. Our method introduces a noise-calibrated Thurstone likelihood with diffusion-noise-dependent uncertainty. DiNa-LRM leverages a pretrained latent diffusion backbone with a timestep-conditioned reward head, and supports inference-time noise ensembling, providing a diffusion-native mechanism for test-time scaling and robust rewarding. Across image alignment benchmarks, DiNa-LRM substantially outperforms existing diffusion-based reward baselines and achieves performance competitive with state-of-the-art VLMs at a fraction of the computational cost. In preference optimization, we demonstrate that DiNa-LRM improves preference optimization dynamics, enabling faster and more resource-efficient model alignment.

LLM-based multi-agent systems have demonstrated impressive capabilities, but they also introduce significant safety risks when individual agents fail or behave adversarially. In this work, we study the automated design of agentic systems that remain safe even when a subset of agents is compromised. Inspired by Stackelberg security games, we formalize this problem as a game between a system designer (the Meta-Agent) and a best-responding Meta-Adversary that selects and compromises a subset of agents to minimize safety. We propose Meta-Adversary-Meta-Agent (MaMa), a novel algorithm inspired by this formalization for automatically designing safe agentic systems. Our approach uses LLM-based adversarial search, where the Meta-Agent iteratively proposes system designs and receives feedback based on the strongest attacks discovered by the Meta-Adversary. Empirical evaluations across diverse environments show that systems designed with MaMa consistently defend against worst-case attacks while maintaining performance comparable to systems optimized solely for task success. Moreover, the resulting systems generalize to stronger adversaries, as well as ones with different attack objectives or underlying LLMs, demonstrating robust safety beyond the training setting.

In distributed applications, such as energy demand forecasting at the substation level or federated learning, a large number of related tasks must be learned by different models, while the exact task relationships are unknown. We propose the novel Cascaded Transfer Learning (CTL) paradigm in which model parameters cascade hierarchically through tasks organized as a rooted tree, respecting a global training budget. Starting from a source task, the tree specifies the order in which tasks are learned and refined, with the budget allocated along its branches. We design cascade mechanisms based on spanning trees that connect all tasks by minimizing an objective combining pairwise task distances and the available training budget, which yield geometry-aware and depth-bounded transfer graphs. We theoretically characterize how transfer errors accumulate and attenuate along cascade paths: errors introduced at any upstream node are contracted by every downstream refinement, and balanced tree topologies bound this accumulation. Experiments on synthetic and real many-task settings, time-series forecasting and image classification, show that CTL enables more accurate and cost-effective adaptation across large task collections than alternative approaches, with the largest gains at the tightest budgets.

Self-supervised learning has been increasingly investigated for low-dose computed tomography (LDCT) image denoising, as it alleviates the dependence on paired normal-dose CT (NDCT) data, which are often difficult to collect. However, many existing self-supervised blind-spot denoising methods suffer from training inefficiencies and suboptimal performance due to restricted receptive fields. To mitigate this issue, we propose a novel Progressive $\mathcal{J}$-invariant Learning that maximizes the use of $\mathcal{J}$-invariant to enhance LDCT denoising performance. We introduce a step-wise blind-spot denoising mechanism that enforces conditional independence in a progressive manner, enabling more fine-grained learning for denoising. Furthermore, we explicitly inject a combination of controlled Gaussian and Poisson noise during training to regularize the denoising process and mitigate overfitting. Extensive experiments on the Mayo LDCT dataset demonstrate that the proposed method consistently outperforms existing self-supervised approaches and achieves performance comparable to, or better than, several representative supervised denoising methods.

Reinforcement learning drives recent advances in LLM reasoning and agentic capabilities, yet current approaches struggle with both exploration and exploitation. Exploration suffers from low success rates on difficult tasks and high costs of repeated rollouts from scratch. Exploitation suffers from coarse credit assignment and training instability: Trajectory-level rewards penalize valid prefixes for later errors, and failure-dominated groups overwhelm the few positive signals, leaving optimization without constructive direction. To this end, we propose R$^3$L, Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification. To synthesize high-quality trajectories, R$^3$L shifts from stochastic sampling to active synthesis via reflect-then-retry, leveraging language feedback to diagnose errors, transform failed attempts into successful ones, and reduce rollout costs by restarting from identified failure points. With errors diagnosed and localized, Pivotal Credit Assignment updates only the diverging suffix where contrastive signals exist, excluding the shared prefix from gradient update. Since failures dominate on difficult tasks and reflect-then-retry produces off-policy data, risking training instability, Positive Amplification upweights successful trajectories to ensure positive signals guide the optimization process. Experiments on agentic and reasoning tasks demonstrate 5\% to 52\% relative improvements over baselines while maintaining training stability. Our code is released at https://github.com/shiweijiezero/R3L.

With the rapid development of Vision-Language Models (VLMs) and the growing demand for their applications, efficient compression of the image inputs has become increasingly important. Existing VLMs predominantly digest and understand high-bitrate compressed images, while their ability to interpret low-bitrate compressed images has yet to be explored by far. In this paper, we introduce the first comprehensive benchmark to evaluate the ability of VLM against compressed images, varying existing widely used image codecs and diverse set of tasks, encompassing over one million compressed images in our benchmark. Next, we analyse the source of performance gap, by categorising the gap from a) the information loss during compression and b) generalisation failure of VLM. We visualize these gaps with concrete examples and identify that for compressed images, only the generalization gap can be mitigated. Finally, we propose a universal VLM adaptor to enhance model performance on images compressed by existing codecs. Consequently, we demonstrate that a single adaptor can improve VLM performance across images with varying codecs and bitrates by 10%-30%. We believe that our benchmark and enhancement method provide valuable insights and contribute toward bridging the gap between VLMs and compressed images. The source code is available at https://github.com/bblgbr/CompressVLMBench.

Simulating complex unsteady physical phenomena relies on detailed mathematical models, simulated for instance by using the Finite Element Method (FEM). However, these models often exhibit discrepancies from the reality due to unmodeled effects or simplifying assumptions. We refer to this gap as the ignorance model. While purely data-driven approaches attempt to learn full system behavior, they require large amounts of high-quality data across the entire spatial and temporal domain. In real-world scenarios, such information is unavailable, making full data-driven modeling unreliable. To overcome this limitation, we model of the ignorance component using a hybrid twin approach, instead of simulating phenomena from scratch. Since physics-based models approximate the overall behavior of the phenomena, the remaining ignorance is typically lower in complexity than the full physical response, therefore, it can be learned with significantly fewer data. A key difficulty, however, is that spatial measurements are sparse, also obtaining data measuring the same phenomenon for different spatial configurations is challenging in practice. Our contribution is to overcome this limitation by using Graph Neural Networks (GNNs) to represent the ignorance model. GNNs learn the spatial pattern of the missing physics even when the number of measurement locations is limited. This allows us to enrich the physics-based model with data-driven corrections without requiring dense spatial, temporal and parametric data. To showcase the performance of the proposed method, we evaluate this GNN-based hybrid twin on nonlinear heat transfer problems across different meshes, geometries, and load positions. Results show that the GNN successfully captures the ignorance and generalizes corrections across spatial configurations, improving simulation accuracy and interpretability, while minimizing data requirements.

Small object detection in complex scenes exposes a fundamental tension in neural network design: backbone attention distributes computation uniformly regardless of content, pyramid necks inflate activation magnitudes during upsampling without norm compensation, and bottleneck convolutions progressively smooth high-frequency edge components through accumulated spatial filtering. In response, we develop DFIR-DETR by tracing each proposed module back to a specific, measurable deficiency in the RT-DETR baseline: uniform attention that ignores spatial complexity, norm drift that destabilises upsampled features, and spatial convolutions that progressively suppress the high-frequency components small objects depend on. On NEU-DET and VisDrone, DFIR-DETR achieves 92.9% and 51.6% mAP50 with only 11.7M parameters and 47.2 GFLOPs, demonstrating consistent gains across two qualitatively different detection domains.

Document visual question answering requires models not only to answer questions correctly, but also to precisely localize answers within complex document layouts. While large vision-language models (VLMs) achieve strong spatial grounding, their inference cost and latency limit real-world deployment. Compact VLMs are more efficient, but they often suffer substantial localization degradation under standard fine-tuning or distillation. To address this gap, we propose DocVAL, a validated chain-of-thought (CoT) distillation framework that transfers explicit spatial reasoning from large teacher models to compact, deployable student VLMs. DocVAL combines (1) teacher-generated spatial CoT supervision, (2) a rule-based dual-mode validator that filters low-quality training signals and provides fine-grained, pixel-level corrective feedback, and (3) a validation-driven two-stage training procedure with iterative refinement. Text detection is used only as training-time scaffolding for supervision and validation, enabling the final student to operate as a pure VLM without OCR or detection at inference. Across multiple document understanding benchmarks, DocVAL yields consistent improvements of up to 6-7 ANLS points over comparable compact VLMs. We further introduce mean Average Precision (mAP) as a localization metric for document question answering and report strong spatial grounding performance under this new evaluation. We release 95K validator-verified CoT traces and show that high-quality, validated supervision is more effective than scaling unfiltered data, enabling efficient and trustworthy document grounding. Code/Data: https://github.com/ahmad-shirazi/DocVAL

High-performance Host processors can integrate Processing-In-Memory (PIM) devices, which can accelerate memory-intensive kernels of Machine Learning (ML) models, including Large Language Models (LLMs), by leveraging the large memory bandwidth available at PIM cores. However, Host processor needs consecutive elements distributed across DRAM banks, while PIM cores need consecutive elements within their local banks. This necessitates data rearrangements in ML kernel execution that pose significant performance and programmability challenges, further exacerbated by the need to support diverse PIM devices. Current compilation approaches lack systematic optimization for diverse ML kernels and multiple PIM devices, and may largely ignore data rearrangement costs during the compute code optimization step. We show that data rearrangements and compute code optimization are interdependent, and need to be jointly optimized during the tuning process. Therefore, we design DCC, the first data-centric ML compiler for PIM systems that jointly co-optimizes data rearrangements and compute code in a unified tuning process. DCC integrates a multi-layer PIM abstraction to support multiple PIM backends. DCC enables effective co-optimization of data partitioning strategies with compute loop partitioning schemes. DCC applies PIM-specific code optimizations, and leverages a fast and accurate performance prediction model to select the bestperforming code schedule for a given kernel on a target PIM architecture. Our evaluations in various individual ML kernels show that DCC achieves up to 7.68x speedup (2.21x average) on HBM-PIM, and up to 13.17x speedup (3.92x average) on AttAcc PIM, over GPU-only execution. In end-to-end LLM inference, DCC on AttAcc accelerates GPT-3 and LLaMA-2 by 4.52x average (up to 7.71x in LLaMA-2) over GPU. DCC is open-sourced at https://github.com/SPIN-Research-Group/DCC.

Cameras are a core sensing modality in modern intelligent transportation systems (ITS), providing rich visual information on road-user activities. Multi-Camera Vehicle Tracking (MCVT) uses this data to reconstruct vehicle trajectories across camera networks, supporting applications such as traffic flow prediction and optimisation. However, most existing MCVT studies emphasise tracking accuracy while paying limited attention to real-time performance and scalability, both essential for real-world and city-scale deployment. To address this gap, we propose Edge-Assisted, Scalable and Efficient MCVT (EASE-MCVT), a distributed edge--server framework designed for real-time throughput and scalable operation. On the edge side, each camera stream is processed through object detection, single-camera tracking, geo-mapping and feature extraction, while only lightweight metadata, including vehicle locations and appearance features, is sent to the central server for cross-camera association. To improve both tracking accuracy and system efficiency, EASE-MCVT is optimised from algorithmic and system perspectives. Algorithmically, it introduces a dynamic workload scheme for tracklet-level feature extraction, a server-side re-match module to reconnect fragmented tracklets, and a self-supervised camera link model that learns spatio-temporal constraints to accelerate and stabilise cross-camera association. Systemically, it integrates production-oriented data engineering components to standardise deployment and data exchange for large-scale operation. To the best of our knowledge, EASE-MCVT is the first MCVT framework explicitly designed to address both real-time performance and scalability in a distributed edge--server setting. Experiments on the RoundaboutHD and CityFlow datasets demonstrate real-time throughput with competitive tracking accuracy, paving the way for city-wide real-time traffic management.

In spite of the remarkable advancements in the field of Natural Language Processing, the task of Entity Linking (EL) remains challenging in the field of humanities due to complex document typologies, lack of domain-specific datasets and models, and long-tail entities, i.e., entities under-represented in Knowledge Bases (KBs). The goal of this paper is to address these issues with two main contributions. The first contribution is DELICATE, a novel neuro-symbolic method for EL on historical Italian which combines a BERT-based encoder with contextual information from Wikidata to select appropriate KB entities using temporal plausibility and entity type consistency. The second contribution is ENEIDE, a multi-domain EL corpus in historical Italian semi-automatically extracted from two annotated editions spanning from the 19th to the 20th century and including literary and political texts. Results show how DELICATE outperforms other EL models in historical Italian even if compared with larger architectures with billions of parameters. Moreover, further analyses reveal how DELICATE confidence scores and features sensitivity provide results which are more explainable and interpretable than purely neural methods.

Imitation learning-based robot control policies are enjoying renewed interest in video-based robotics. However, it remains unclear whether this approach applies to X-ray-guided procedures, such as spine instrumentation, with sparse inputs. We examine the feasibility, opportunities and challenges for imitation policy learning in bi-plane-guided cannula insertion. We develop an in silico sandbox for scalable, automated simulation of X-ray-guided spine procedures with a high degree of realism. We curate a dataset of correct trajectories and corresponding bi-planar X-ray sequences that emulate the stepwise alignment of providers. We then train imitation learning policies for planning and open-loop control that iteratively align a cannula in a vertebroplasty setting solely based on visual information. This precisely controlled setup offers insights into limitations and capabilities of this method. Our policy succeeded on the first attempt in 68.5% of cases, maintaining safe intra-pedicular trajectories across diverse vertebral levels. The policy transferred to complex anatomy, including fractures, as well as varied anatomies and initializations. Rollouts on real X-ray indicate that partial sim-to-real transfer with plausible trajectories is possible. While these preliminary results are promising, we also identify limitations, especially in entry point precision. The current results present a clear benchmark for future efforts, while with more robust priors and domain knowledge, such models may provide a foundation for future efforts toward lightweight and CT-free robotic intra-operative spinal navigation.

One-year-old infants rapidly form and generalize categories of the everyday objects they encounter. Here we provide evidence on infants daily-life visual experiences for 8 early-learned object categories. Using a corpus of infant head-camera images recorded at mealtimes (87 mealtimes captured by 14 infants), we measure the frequency of the unique instances of each category and the variability of the visual experiences of each instance. The distribution of instances is highly skewed, containing, for each infant and category, many images of the same few objects along with fewer images of other instances. Graph theoretic measures of the similarity structure for individual categories reveal a lumpy mix of high similarity and high variability, organized into multiple but interconnected clusters of high-similarity images. In computational experiments, we show that artificially-created training sets characterized by a lumpy distribution of similarities support generalization to novel instances after very few training experiences. We discuss implications for visual object recognition, and for learning more generally, by both humans and machines.

Underwater environments pose unique challenges for robotic navigation and manipulation. While existing research has primarily focused on task-specific methods, studies on general-purpose intelligence for multi-task execution remain scarce. To address this gap, we propose a unified framework for general-purpose underwater robots that integrates perception and action driven by language instructions. First, we develop a data synthesis pipeline to construct USIM, a simulation-based dataset which comprises over 905K frames from 2275 trajectories, totaling approximately 25 hours of BlueROV2 interactions. Furthermore, we propose U0, a vision-language-action (VLA) model capable of executing various tasks from obstacle-avoidance navigation to three-dimensional mobile manipulation. The model features a convolution-attention-based perception (CAP) module, which incorporates target pose estimation as an auxiliary task to explicitly bolster the model's spatial awareness. For evaluation, we establish a systematic assessment framework and an automated pipeline encompassing both offline metrics and online task execution. Experimental results demonstrate that the USIM dataset significantly empowers existing VLA models to adapt to underwater scenarios. Notably, our U0 model achieves state-of-the-art performance: it reduces the offline mean action prediction error to 0.0359 and achieves an overall online success rate of 43.1%, marking a 5.5% improvement over existing competitive baselines (below 37.6%), with navigation tasks reaching as high as 87.5%. These results validate the feasibility of general-purpose intelligence in underwater robotics, providing a foundation for scalable dataset synthesis and aquatic embodied agents.

As Speech Large Language Models (Speech LLMs) become increasingly integrated into voice-based applications, ensuring their robustness against manipulative or adversarial input becomes critical. Although prior work has studied adversarial attacks in text-based LLMs and vision-language models, the unique cognitive and perceptual challenges of speech-based interaction remain underexplored. In contrast, speech presents inherent ambiguity, continuity, and perceptual diversity, which make adversarial attacks more difficult to detect. In this paper, we introduce gaslighting attacks, strategically crafted prompts designed to mislead, override, or distort model reasoning as a means to evaluate the vulnerability of Speech LLMs. Specifically, we construct five manipulation strategies: Anger, Cognitive Disruption, Sarcasm, Implicit, and Professional Negation, designed to test model robustness across varied tasks. It is worth noting that our framework captures both performance degradation and behavioral responses, including unsolicited apologies and refusals, to diagnose different dimensions of susceptibility. Moreover, acoustic perturbation experiments are conducted to assess multi-modal robustness. To quantify model vulnerability, comprehensive evaluation across 5 Speech and multi-modal LLMs on over 10,000 test samples from 5 diverse datasets reveals an average accuracy drop of 24.3% under the five gaslighting attacks, indicating significant behavioral vulnerability. These findings highlight the need for more resilient and trustworthy speech-based AI systems.

Targeted data poisoning attacks manipulate model predictions on specific test samples by injecting malicious data into training. Yet existing evaluations report average attack success rates over randomly selected targets, obscuring true worst-case effectiveness. We argue that the right evaluation focuses on the hardest samples to poison. The same reasoning applies to defense: since targeted attacks leave no footprint at the distribution level, defenders should proactively identify the most vulnerable samples and apply targeted countermeasures. Given a test dataset, this paper identifies both the easiest and hardest to poison examples based on only clean model information. Specifically, we offer coarse evaluations using clean training dynamics, and fine-grained classification on poison class using poison distances and budgets. Our experiments show these metrics reliably stratify samples by poisoning vulnerability, enabling both rigorous worst-case evaluation and proactive vulnerability-aware defense.

Methods for query answering over incomplete knowledge graphs retrieve entities that are likely to be answers, which is particularly useful when such answers cannot be reached by direct graph traversal due to missing edges. However, existing approaches have focused on queries formalized using first-order-logic. In practice, many real-world queries involve constraints that are inherently vague or context-dependent, such as preferences for attributes or related categories. Addressing this gap, we introduce the problem of query answering with soft constraints. We formalize the problem and introduce two efficient methods designed to adjust query answer scores by incorporating soft constraints without disrupting the original answers to a query. These methods are lightweight, requiring tuning only two parameters or a small neural network trained to capture soft constraints while maintaining the original ranking structure. To evaluate the task, we extend existing QA benchmarks by generating datasets with soft constraints. Our experiments demonstrate that our methods can capture soft constraints while maintaining robust query answering performance and adding very little overhead. With our work, we explore a new and flexible way to interact with graph databases that allows users to specify their preferences by providing examples interactively.

Recently, spatio-temporal time-series prediction has developed rapidly, yet existing deep learning methods struggle with learning complex long-term spatio-temporal dependencies efficiently. The long-term spatio-temporal dependency learning brings two new challenges: 1) The long-term temporal sequence naturally includes multiscale information, which is hard to extract efficiently; 2) The multiscale temporal information from different nodes is highly correlated and hard to model. To address these challenges, we propose Spatio-Temporal Mixture of Multiscale Mamba (STM3). STM3 integrates a Multiscale Mamba architecture within a novel Disentangled Mixture-of-Experts (DMoE) framework to capture diverse multiscale information efficiently, while utilizing an adaptive graph causal network to model complex spatial dependencies. To ensure robust representation learning, we introduce a stable routing strategy and a causal contrastive learning strategy, which work in tandem with hierarchical information aggregation to guarantee scale distinguishability. We theoretically prove that STM3 achieves superior routing smoothness and guarantees pattern disentanglement for each expert. Extensive experiments on 10 real-world benchmarks across domains demonstrate STM3's superior performance, achieving state-of-the-art results in long-term spatio-temporal time-series prediction. Notably, on the PEMSD8 dataset, it achieves significant improvements, surpassing the second-best model by 7.1% in MAE, 8.5% in RMSE, and 15.9% in MAPE. Code is available at https://github.com/IfReasonable/STM3_KDD26.

Efficient simulation of Laser Powder Bed Fusion (LPBF) is crucial for process prediction due to the lasting issue of high computational cost associated with traditional numerical methods such as finite element analysis (FEA). While a Physics-Informed Neural Network (PINN) can predict solution fields with small training data and enables the generalization of new process parameters via transfer learning, it suffers from accuracy degradation in time-dependent problems due to the accumulation of residual and the difficulty in capturing the steep spatial and temporal gradients inherent in the LPBF process. To overcome this issue, this study develops an efficient modeling framework, FEA-Regulated Physics-Informed Neural Network (FEA-PINN), to accelerate the prediction of melt pool dynamics phenomena in an LPBF process while maintaining the FEA accuracy. The innovation of FEA-PINN manifested itself in two aspects. First, a novel strategy has been developed within the PINN model to capture the dynamic phase change of powder-liquid-solid, enabling the tracking of material status during laser melting. The model further incorporates temperature-dependent material properties, phase change behavior of the powder bed, Marangoni convection, and natural convection within the melt pool. Second, the FEA-PINN framework integrates corrective FEA simulations during inference to enforce physical consistency, reduce error drift, and capture the steep gradients. A comparative analysis shows that FEA-PINN achieves accuracy comparable to FEA while significantly reducing computational cost. The framework has been validated against benchmark FEA data for single-track scanning in LPBF.

Accurate scene perception is critical for vision-based robotic manipulation. Existing approaches typically follow either a Vision-to-Action (V-A) paradigm, predicting actions directly from visual inputs, or a Vision-to-3D-to-Action (V-3D-A) paradigm, leveraging intermediate 3D representations. However, these methods often struggle with action inaccuracies due to the complexity and dynamic nature of manipulation scenes. In this paper, we adopt a V-4D-A framework that enables direct action reasoning from motion-aware 4D representations via a Gaussian Action Field (GAF). GAF extends 3D Gaussian Splatting (3DGS) by incorporating learnable motion attributes, allowing 4D modeling of dynamic scenes and manipulation actions. To learn time-varying scene geometry and action-aware robot motion, GAF provides three interrelated outputs: reconstruction of the current scene, prediction of future frames, and estimation of init action via Gaussian motion. Furthermore, we employ an action-vision-aligned denoising framework, conditioned on a unified representation that combines the init action and the Gaussian perception, both generated by the GAF, to further obtain more precise actions. Extensive experiments demonstrate significant improvements, with GAF achieving +11.5385 dB PSNR, +0.3864 SSIM and -0.5574 LPIPS improvements in reconstruction quality, while boosting the average +7.3% success rate in robotic manipulation tasks over state-of-the-art methods.

Health indicator (HI) plays a key role in degradation assessment and prognostics of rolling bearings. Although various HI construction methods have been investigated, most of them rely on expert knowledge for feature extraction and overlook capturing dynamic information hidden in sequential degradation processes, which limits the ability of the constructed HI for degradation trend representation and prognostics. To address these concerns, a novel dynamic HI that considers HI-level temporal dependence is constructed through an unsupervised framework. Specifically, a degradation feature learning module composed of a skip-connection-based autoencoder first maps raw signals to a representative degradation feature space (DFS) to automatically extract essential degradation features without the need for expert knowledge. Subsequently, in this DFS, a new HI-generating module embedded with an inner HI-prediction block is proposed for dynamic HI construction, where the temporal dependence between past and current HI states is guaranteed and modeled explicitly. On this basis, the dynamic HI captures the inherent dynamic contents of the degradation process, ensuring its effectiveness for degradation tendency modeling and future degradation prognostics. The experiment results on two bearing lifecycle datasets demonstrate that the proposed HI construction method outperforms comparison methods, and the constructed dynamic HI is superior for prognostic tasks.

How can cognitive science build generalizable theories that span the full scope of natural situations and behaviors? We argue that progress in Artificial Intelligence (AI) offers timely opportunities for cognitive science to embrace experiments with increasingly naturalistic stimuli, tasks, and behaviors; and computational models that can accommodate these changes. We first review a growing body of research spanning neuroscience, cognitive science, and AI that suggests that incorporating a broader range of naturalistic experimental paradigms, and models that accommodate them, may be necessary to resolve some aspects of natural intelligence and ensure that our theories generalize. We review cases from cognitive science and neuroscience where naturalistic paradigms elicit distinct behaviors or engage different processes. We then discuss recent progress in AI that shows that learning from naturalistic data yields qualitatively different patterns of behavior and generalization, and examine how these findings impact the conclusions we draw from cognitive modeling, and can help yield new hypotheses for the roots of cognitive and neural phenomena. We then suggest that integrating recent progress in AI and cognitive science will enable us to engage with more naturalistic phenomena without giving up experimental control or the pursuit of theoretically grounded understanding. We offer practical guidance on how methodological practices can contribute to cumulative progress in naturalistic computational cognitive science, and illustrate a path towards building computational models that solve the real problems of natural cognition, together with a reductive understanding of the processes and principles by which they do so.

This paper addresses a key limitation in existing counterfactual inference methods for Markov Decision Processes (MDPs). Current approaches assume a specific causal model to make counterfactuals identifiable. However, there are usually many causal models that align with the observational and interventional distributions of an MDP, each yielding different counterfactual distributions, so fixing a particular causal model limits the validity (and usefulness) of counterfactual inference. We propose a novel non-parametric approach that computes tight bounds on counterfactual transition probabilities across all compatible causal models. Unlike previous methods that require solving prohibitively large optimisation problems (with variables that grow exponentially in the size of the MDP), our approach provides closed-form expressions for these bounds, making computation highly efficient and scalable for non-trivial MDPs. Once such an interval counterfactual MDP is constructed, our method identifies robust counterfactual policies that optimise the worst-case reward w.r.t. the uncertain interval MDP probabilities. We evaluate our method on various case studies, demonstrating improved robustness over existing methods.

We consider the spatial classification problem for monitoring using data collected by a coordinated team of mobile robots. Such classification problems arise in several applications including search-and-rescue and precision agriculture. Specifically, we want to classify the regions of a search environment into interesting and uninteresting as quickly as possible using a team of mobile sensors and mobile charging stations. We develop a data-driven strategy that accommodates the noise in sensed data and the limited energy capacity of the sensors, and generates collision-free motion plans for the team. We propose a bi-level approach, where a high-level planner leverages a multi-armed bandit framework to determine the potential regions of interest for the drones to visit next based on the data collected online. Then, a low-level path planner based on integer programming coordinates the paths for the team to visit the determined regions subject to the physical constraints. We characterize several theoretical properties of the proposed approach, including anytime guarantees and task completion time. We show the efficacy of our approach in simulation, and further validate these observations in physical experiments using mobile robots.

Model merging combines independently trained models into a single multi-task model. However, most existing approaches focus primarily on avoiding task interference. We argue that its greater potential lies in enabling task synergy, where tasks actively improve one another. We identify cross-task performance, defined by compatibility between encoders and predictors across tasks, as a key indicator of merge quality. We demonstrate that adapting only a single task-specific layer is sufficient to induce such synergy. This study proposes SyMerge, a lightweight framework that jointly optimizes merging coefficients and a single task-specific layer. We adopt an expert-guided self-labeling objective, providing stable supervision beyond entropy minimization. Intriguingly, we further show that SyMerge successfully merges models trained from different initializations, a regime where standard methods break down. Our minimalist yet principled method achieves state-of-the-art results across vision, dense prediction, and NLP benchmarks. Our code is available at https://aim-skku.github.io/SyMerge

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings, measuring LLMs' ability to retrieve a single, pre-defined answer, rather than their creative potential to generate diverse, yet equally valid, molecular candidates. To address this critical gap, we propose Speak-to-Structure (S^2-Bench), the first benchmark to evaluate LLMs in open-domain natural language-driven molecule generation. S^2-Bench is specifically designed for one-to-many relationships, challenging LLMs to exhibit genuine molecular understanding and open-ended generation capabilities. Our benchmark includes three key tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom), each probing a different aspect of molecule discovery. We also introduce OpenMolIns, a large-scale instruction tuning dataset that enables Llama3.1-8B to surpass the most powerful LLMs like GPT-4o and Claude-3.5 on S^2-Bench. Our comprehensive evaluation of 31 LLMs shifts the focus from simple pattern recall to realistic molecular design, paving the way for more capable LLMs in natural language-driven molecule discovery. Our codes and datasets are fully accessible through the Github Repository: https://github.com/phenixace/S2-TOMG-Bench and Huggingface Datasets: https://huggingface.co/datasets/phenixace/S2-TOMG-Bench.

Automated scraping stands out as a common method for collecting data in deep learning models without the authorization of data owners. Recent studies have begun to tackle the privacy concerns associated with this data collection method. Notable approaches include Deepconfuse, error-minimizing, error-maximizing (also known as adversarial poisoning), Neural Tangent Generalization Attack, synthetic, autoregressive, One-Pixel Shortcut, Self-Ensemble Protection, Entangled Features, Robust Error-Minimizing, Hypocritical, and TensorClog. The data generated by those approaches, called "unlearnable" examples, are prevented "learning" by deep learning models. In this research, we investigate and devise an effective nonlinear transformation framework and conduct extensive experiments to demonstrate that a deep neural network can effectively learn from the data/examples traditionally considered unlearnable produced by the above twelve approaches. The resulting approach improves the ability to break unlearnable data compared to the linear separable technique recently proposed by researchers. Specifically, our extensive experiments show that the improvement ranges from 0.34% to 249.59% for the unlearnable CIFAR10 datasets generated by those twelve data protection approaches, except for One-Pixel Shortcut. Moreover, the proposed framework achieves over 100% improvement of test accuracy for Autoregressive and REM approaches compared to the linear separable technique. Our findings suggest that these approaches are inadequate in preventing unauthorized uses of data in machine learning models. There is an urgent need to develop more robust protection mechanisms that effectively thwart an attacker from accessing data without proper authorization from the owners.

Neural Representations for Videos(NeRV) have emerged as a promising paradigm for video compression by representing videos as compact neural networks with efficient decoding. Hybrid NeRV methods further improve reconstruction quality through content adaptive embeddings, but still struggle to preserve fine details at low bitrates. A key limitation is that shallow residual support in formation, although highly beneficial for reconstruction, is costly to transmit in its continuous form and is therefore underutilized. In this paper, we rethink hybrid NeRV and present RT-NeRV, a residual tokenization framework for hybrid neural video representations. The core idea is to discretize shallow residual features and inter-frame residual cues into compact residual tokens, allowing informative reconstruction support to be transmitted efficiently and exploited by the decoder. To this end, we design a residual tokenizer together with a residual-aware codebook learning strategy that improves token utilization and stabilizes training. RT-NeRV can be readily integrated into modern hybrid NeRV hosts, consistently enhancing detail preservation, reconstruction quality, and bitrate quality trade-offs. Extensive experiments on video regression and related restoration tasks show that RT-NeRV outperforms strong hybrid NeRV baselines and remains competitive with recent INR based video compression methods. These results demonstrate that residual tokenization is an effective and complementary direction for advancing hybrid neural video representations

Graph Neural Networks (GNNs) have become important machine learning tools for graph analysis, and its explainability is crucial for safety, fairness, and robustness. Layer-wise relevance propagation for GNNs (GNN-LRP) evaluates the relevance of \emph{walks} to reveal important information flows in the network, and provides higher-order explanations, which have been shown to be superior to the lower-order, i.e., node-/edge-level, explanations. However, identifying relevant walks by GNN-LRP requires {\em exponential} computational complexity with respect to the network depth, which we will remedy in this paper. Specifically, we propose {\em polynomial-time} algorithms for finding top-$K$ relevant walks, which drastically reduces the computation and thus increases the applicability of GNN-LRP to large-scale problems. Our proposed algorithms are based on the \emph{max-product} algorithm -- a common tool for finding the maximum likelihood configurations in probabilistic graphical models -- and can find the most relevant walks exactly at the neuron level and approximately at the node level. Our experiments demonstrate the performance of our algorithms at scale and their utility across application domains, i.e., on epidemiology, molecular, and natural language benchmarks. We provide our codes under \href{https://github.com/xiong-ping/rel_walk_gnnlrp}{github.com/xiong-ping/rel\_walk\_gnnlrp}.