Daily Papers

This paper introduces Federated Retrieval-Augmented Generation (FRAG), a novel database management paradigm tailored for the growing needs of retrieval-augmented generation (RAG) systems, which are increasingly powered by large-language models (LLMs). FRAG enables mutually-distrusted parties to collaboratively perform Approximate k-Nearest Neighbor (ANN) searches on encrypted query vectors and encrypted data stored in distributed vector databases, all while ensuring that no party can gain any knowledge about the queries or data of others. Achieving this paradigm presents two key challenges: (i) ensuring strong security guarantees, such as Indistinguishability under Chosen-Plaintext Attack (IND-CPA), under practical assumptions (e.g., we avoid overly optimistic assumptions like non-collusion among parties); and (ii) maintaining performance overheads comparable to traditional, non-federated RAG systems. To address these challenges, FRAG employs a single-key homomorphic encryption protocol that simplifies key management across mutually-distrusted parties. Additionally, FRAG introduces a multiplicative caching technique to efficiently encrypt floating-point numbers, significantly improving computational performance in large-scale federated environments. We provide a rigorous security proof using standard cryptographic reductions and demonstrate the practical scalability and efficiency of FRAG through extensive experiments on both benchmark and real-world datasets.

Structured width pruning of GLU-MLP layers, guided by the Maximum Absolute Weight (MAW) criterion, reveals a systematic dichotomy in how reducing the expansion ratio affects different model capabilities. While performance on tasks relying on parametric knowledge (e.g., MMLU, GSM8K) and perplexity metrics degrades predictably, instruction-following capabilities improve substantially (+46% to +75% in IFEval for Llama-3.2-1B and 3B models), and multi-step reasoning remains robust (MUSR). This pattern challenges the prevailing assumption that pruning induces uniform degradation. We evaluated seven expansion ratio configurations using comprehensive benchmarks assessing factual knowledge, mathematical reasoning, language comprehension, instruction-following, and truthfulness. Our analysis identifies the expansion ratio as a critical architectural parameter that selectively modulates cognitive capabilities, rather than merely serving as a compression metric. We provide the first systematic characterization of this selective preservation phenomenon. Notably, we document a robust inverse correlation (r = -0.864, p = 0.012 in Llama-3B) between factual knowledge capacity (MMLU) and truthfulness metrics (TruthfulQA-MC2): as knowledge degrades, the model's ability to discriminate misconceptions improves consistently. This connects two previously distinct research areas, demonstrating that MAW-guided width pruning acts as a selective filter, reducing parametric knowledge while preserving or enhancing behavioral alignment. Additionally, we quantify context-dependent efficiency trade-offs: pruned configurations achieve up to 23% reduction in energy consumption (J/token) but incur penalties in single-request latency, whereas batch processing workloads benefit uniformly.

Fragmentation is a routine part of communication in 6LoWPAN-based IoT networks, designed to accommodate small frame sizes on constrained wireless links. However, this process introduces a critical vulnerability fragments are typically stored and processed before their legitimacy is confirmed, allowing attackers to exploit this gap with minimal effort. In this work, we explore a defense strategy that takes a more adaptive, behavior-aware approach to this problem. Our system, called Predictive-CSM, introduces a combination of two lightweight mechanisms. The first tracks how each node behaves over time, rewarding consistent and successful interactions while quickly penalizing suspicious or failing patterns. The second checks the integrity of packet fragments using a chained hash, allowing incomplete or manipulated sequences to be caught early, before they can occupy memory or waste processing time. We put this system to the test using a set of targeted attack simulations, including early fragment injection, replayed headers, and flooding with fake data. Across all scenarios, Predictive CSM preserved network delivery and maintained energy efficiency, even under pressure. Rather than relying on heavyweight cryptography or rigid filters, this approach allows constrained de vices to adapt their defenses in real time based on what they observe, not just what they're told. In that way, it offers a step forward for securing fragmented communication in real world IoT systems

The application of on-device language models (ODLMs) on resource-constrained edge devices is a multi-dimensional problem that strikes a fine balance between computational effectiveness, memory, power usage, and linguistic capacity across heterogeneous tasks. This holistic study conducts a thorough investigation of the trade-offs between ___domain-specific optimization and cross-___domain robustness, culminating in the proposal of the Generalized Edge Model (GEM), a new architecture that aims to balance specialization and generalization in a harmonious manner. With a rigorous experimental approach testing 47 well-chosen benchmarks in eight domains--healthcare, law, finance, STEM, commonsense, conversational AI, multilingual, and ___domain-adaptive tasks--we show that conventional optimization techniques decrease target task perplexity by 18-25% but result in a precipitous decline in general-task performance with F1 scores decreasing by 12-29%, as reported by Liu et al. GEM employs a Sparse Cross-Attention Router (SCAR) to dynamically allocate computation to a variable number of computing resources with a cross-___domain F1 accuracy of 0.89 on less than 100ms latency across Raspberry Pi 4, Pixel 6, iPhone 13, and bespoke custom neural processing units (NPUs). Compared to GPT-4 Lite, GEM enhances the general-task level by 7% with respect and parity in ___domain-specific performance. We propose three new measurement tools--Domain Specialization Index (DSI), Generalization Gap (GG), and Cross-Domain Transfer Ratio (CDTR)--which show strong correlation between model compression intensity and brittleness.

It has been observed that the input space of deep neural network classifiers can exhibit `fragmentation', where the model function rapidly changes class as the input space is traversed. The severity of this fragmentation tends to follow the double descent curve, achieving a maximum at the interpolation regime. We study this phenomenon in the context of image classification and ask whether fragmentation could be predictive of generalization performance. Using a fragmentation-based complexity measure, we show this to be possible by achieving good performance on the PGDL (Predicting Generalization in Deep Learning) benchmark. In addition, we report on new observations related to fragmentation, namely (i) fragmentation is not limited to the input space but occurs in the hidden representations as well, (ii) fragmentation follows the trends in the validation error throughout training, and (iii) fragmentation is not a direct result of increased weight norms. Together, this indicates that fragmentation is a phenomenon worth investigating further when studying the generalization ability of deep neural networks.

Any-to-any voice conversion aims to convert the voice from and to any speakers even unseen during training, which is much more challenging compared to one-to-one or many-to-many tasks, but much more attractive in real-world scenarios. In this paper we proposed FragmentVC, in which the latent phonetic structure of the utterance from the source speaker is obtained from Wav2Vec 2.0, while the spectral features of the utterance(s) from the target speaker are obtained from log mel-spectrograms. By aligning the hidden structures of the two different feature spaces with a two-stage training process, FragmentVC is able to extract fine-grained voice fragments from the target speaker utterance(s) and fuse them into the desired utterance, all based on the attention mechanism of Transformer as verified with analysis on attention maps, and is accomplished end-to-end. This approach is trained with reconstruction loss only without any disentanglement considerations between content and speaker information and doesn't require parallel data. Objective evaluation based on speaker verification and subjective evaluation with MOS both showed that this approach outperformed SOTA approaches, such as AdaIN-VC and AutoVC.

Chain-of-thought (CoT) monitoring has been proposed as a promising safety mechanism for detecting misaligned behavior in large language models. However, its reliability remains largely unexplored beyond English and across diverse model families. We present the first large-scale evaluation of CoT monitorability across 13 diverse languages and seven frontier model families, comprising 16 models. Using adversarial-hint evaluations that require explicit intermediate computation, together with analysis of internal answer-token probabilities, we consistently find CoT unfaithfulness across languages and hint types, with an average rate of 95.9\% across 8B--120B parameter models. We find that frontier models systematically engage in strategic manipulation, including answer-switching, post-hoc rationalization, and procedural exploitation of hints, making external monitors struggle to detect deception. We show that frontier models often commit to the misaligned cue in their latent activations within the first 15\% of generation, even when the CoT appears faithful. Surprisingly, these deceptive patterns remain 100\% in low-resource languages, revealing fundamental limitations in current CoT-based oversight. Our results reveal that CoT monitoring is fundamentally fragile under linguistic distribution shift, providing a substantially weaker safety signal than what English-only studies suggest. These findings underscore an urgent need to develop robust CoT monitors and to accelerate research into white-box monitoring techniques, especially to improve CoT monitorability in mid- and low-resource languages. Our code is available https://multilingual-cot-monitoring.github.io/{blue{here}}.

Modern BPE tokenizers often split calendar dates into meaningless fragments, e.g., 20250312 rightarrow 202, 503, 12, inflating token counts and obscuring the inherent structure needed for robust temporal reasoning. In this work, we (1) introduce a simple yet interpretable metric, termed date fragmentation ratio, that measures how faithfully a tokenizer preserves multi-digit date components; (2) release DateAugBench, a suite of 6500 examples spanning three temporal reasoning tasks: context-based date resolution, format-invariance puzzles, and date arithmetic across historical, contemporary, and future regimes; and (3) through layer-wise probing and causal attention-hop analyses, uncover an emergent date-abstraction mechanism whereby large language models stitch together the fragments of month, day, and year components for temporal reasoning. Our experiments show that excessive fragmentation correlates with accuracy drops of up to 10 points on uncommon dates like historical and futuristic dates. Further, we find that the larger the model, the faster the emergent date abstraction that heals date fragments is accomplished. Lastly, we observe a reasoning path that LLMs follow to assemble date fragments, typically differing from human interpretation (year rightarrow month rightarrow day).

3D fragment reassembly aims to recover the rigid poses of unordered fragment point clouds or meshes in a common object coordinate system to reconstruct the complete shape. The problem becomes particularly challenging as the number of fragments grows, since the target shape is unknown and fragments provide weak semantic cues. Existing end-to-end approaches are prone to cascading failures due to unreliable contact reasoning, most notably inaccurate fragment adjacencies. To address this, we propose Structure-Aware Reassembly (SARe), a generative framework with SARe-Gen for Euclidean-space assembly generation and SARe-Refine for inference-time refinement, with explicit contact modeling. SARe-Gen jointly predicts fracture-surface token probabilities and an inter-fragment contact graph to localize contact regions and infer candidate adjacencies. It adopts a query-point-based conditioning scheme and extracts aligned local geometric tokens at query locations from a frozen geometry encoder, yielding queryable structural representations without additional structural pretraining. We further introduce an inference-time refinement stage, SARe-Refine. By verifying candidate contact edges with geometric-consistency checks, it selects reliable substructures and resamples the remaining uncertain regions while keeping verified parts fixed, leading to more stable and consistent assemblies in the many-fragment regime. We evaluate SARe across three settings, including synthetic fractures, simulated fractures from scanned real objects, and real physically fractured scans. The results demonstrate state-of-the-art performance, with more graceful degradation and higher success rates as the fragment count increases in challenging large-scale reassembly.

Molecular optimization seeks to improve a molecule through small structural edits while preserving similarity to the starting compound. Recent language-model approaches typically treat this task as prompt-conditioned sequence generation. However, relying on natural language introduces an inherent data-scaling bottleneck, often leads to chemical hallucinations, and ignores the strong context dependence of fragment effects. We present FORGE, a two-stage framework that reformulates molecular optimization as context-aware local editing. By utilizing automatically mined, verified low-to-high edit pairs instead of expensive human text annotations, Stage 1 ranks candidate fragments by their property contribution under the full molecular context to inject chemical prior, and Stage 2 generates explicit fragment replacements. Built on a compact 0.6B language model, FORGE further adapts to unseen black-box objectives through in-context demonstrations. Across Prompt-MolOpt, PMO-1k and ChemCoTBench, FORGE consistently outperforms prior methods, including substantially larger language models and graph methods. These results highlight the value of explicit fragment-level supervision as a more easily obtainable, scalable, and hallucination-less alternative to natural language training.

The contour estimation of transparent fragments is very important for autonomous reassembly, especially in the fields of precision optical instrument repair, cultural relic restoration, and identification of other precious device broken accidents. Different from general intact transparent objects, the contour estimation of transparent fragments face greater challenges due to strict optical properties, irregular shapes and edges. To address this issue, a general transparent fragments contour estimation framework based on visual-tactile fusion is proposed in this paper. First, we construct the transparent fragment dataset named TransFrag27K, which includes a multiscene synthetic data of broken fragments from multiple types of transparent objects, and a scalable synthetic data generation pipeline. Secondly, we propose a visual grasping position detection network named TransFragNet to identify, locate and segment the sampling grasping position. And, we use a two-finger gripper with Gelsight Mini sensors to obtain reconstructed tactile information of the lateral edge of the fragments. By fusing this tactile information with visual cues, a visual-tactile fusion material classifier is proposed. Inspired by the way humans estimate a fragment's contour combining vision and touch, we introduce a general transparent fragment contour estimation framework based on visual-tactile fusion, demonstrates strong performance in real-world validation. Finally, a multi-dimensional similarity metrics based contour matching and reassembly algorithm is proposed, providing a reproducible benchmark for evaluating visual-tactile contour estimation and fragment reassembly. The experimental results demonstrate the validity of the proposed framework. The dataset and codes are available at https://github.com/Keithllin/Transparent-Fragments-Contour-Estimation.

The total charm-quark production cross section per unit of rapidity dσ({rm cc})/dy, and the fragmentation fractions of charm quarks to different charm-hadron species f(crm h_{c}), are measured for the first time in p-Pb collisions at s_mathrm{NN} = 5.02 TeV at midrapidity (-0.96<y<0.04 in the centre-of-mass frame) using data collected by ALICE at the CERN LHC. The results are obtained based on all the available measurements of prompt production of ground-state charm-hadron species: D^{0}, D^{+}, D_s^{+}, and J/ψ mesons, and Λ_c^{+} and Ξ_{rm c}^{0} baryons. The resulting cross section is dσ({rm cc})/dy =219.6 pm 6.3;(stat.) {;}_{-11.8}^{+10.5};(syst.) {;}_{-2.9}^{+8.3};(extr.)pm 5.4;(BR)pm 4.6;(lumi.) pm 19.5;(rapidity shape)+15.0;(Ω_{rm c}^{0}) mb, which is consistent with a binary scaling of pQCD calculations from pp collisions. The measured fragmentation fractions are compatible with those measured in pp collisions at s = 5.02 and 13 TeV, showing an increase in the relative production rates of charm baryons with respect to charm mesons in pp and p-Pb collisions compared with e^{+e^{-}} and e^{-p} collisions. The p_T-integrated nuclear modification factor of charm quarks, R_pPb({rm cc})= 0.91 pm 0.04;{rm (stat.)}{}^{+0.08}_{-0.09};{rm (syst.)}{}^{+0.05}_{-0.03};{rm (extr.)}{}pm 0.03;{rm (lumi.)}, is found to be consistent with unity and with theoretical predictions including nuclear modifications of the parton distribution functions.

Cryo-electron microscopy (cryo-EM) is a technique for reconstructing the 3-dimensional (3D) structure of biomolecules (especially large protein complexes and molecular assemblies). As the resolution increases to the near-atomic scale, building protein structures de novo from cryo-EM maps becomes possible. Recently, recognition-based de novo building methods have shown the potential to streamline this process. However, it cannot build a complete structure due to the low signal-to-noise ratio (SNR) problem. At the same time, AlphaFold has led to a great breakthrough in predicting protein structures. This has inspired us to combine fragment recognition and structure prediction methods to build a complete structure. In this paper, we propose a new method named FFF that bridges protein structure prediction and protein structure recognition with flexible fitting. First, a multi-level recognition network is used to capture various structural features from the input 3D cryo-EM map. Next, protein structural fragments are generated using pseudo peptide vectors and a protein sequence alignment method based on these extracted features. Finally, a complete structural model is constructed using the predicted protein fragments via flexible fitting. Based on our benchmark tests, FFF outperforms the baseline methods for building complete protein structures.

Medical knowledge is context-dependent and requires consistent reasoning across various natural language expressions of semantically equivalent phrases. This is particularly crucial for drug names, where patients often use brand names like Advil or Tylenol instead of their generic equivalents. To study this, we create a new robustness dataset, RABBITS, to evaluate performance differences on medical benchmarks after swapping brand and generic drug names using physician expert annotations. We assess both open-source and API-based LLMs on MedQA and MedMCQA, revealing a consistent performance drop ranging from 1-10\%. Furthermore, we identify a potential source of this fragility as the contamination of test data in widely used pre-training datasets. All code is accessible at https://github.com/BittermanLab/RABBITS, and a HuggingFace leaderboard is available at https://huggingface.co/spaces/AIM-Harvard/rabbits-leaderboard.

We introduce Frankentexts, a new type of long-form narratives produced by LLMs under the extreme constraint that most tokens (e.g., 90%) must be copied verbatim from human writings. This task presents a challenging test of controllable generation, requiring models to satisfy a writing prompt, integrate disparate text fragments, and still produce a coherent narrative. To generate Frankentexts, we instruct the model to produce a draft by selecting and combining human-written passages, then iteratively revise the draft while maintaining a user-specified copy ratio. We evaluate the resulting Frankentexts along three axes: writing quality, instruction adherence, and detectability. Gemini-2.5-Pro performs surprisingly well on this task: 81% of its Frankentexts are coherent and 100% relevant to the prompt. Notably, up to 59% of these outputs are misclassified as human-written by detectors like Pangram, revealing limitations in AI text detectors. Human annotators can sometimes identify Frankentexts through their abrupt tone shifts and inconsistent grammar between segments, especially in longer generations. Beyond presenting a challenging generation task, Frankentexts invite discussion on building effective detectors for this new grey zone of authorship, provide training data for mixed authorship detection, and serve as a sandbox for studying human-AI co-writing processes.

Large language models have revolutionized natural language processing, yet their deployment remains hampered by the substantial memory and runtime overhead of the transformer's Key-Value cache. To mitigate this, recent methods employ a scoring-aggregation framework to evict unimportant cache entries, based on the stability assumption-that a fixed subset of entries remains consistently important during generation. However, prior work has largely focused on refining importance indicators for scoring, while defaulting to mean aggregation due to a faithful trust in the stability assumption. In this work, we argue that this underlying assumption is inherently fragile, making mean aggregation highly vulnerable in extreme cases. To counter this, we propose a simple yet elegant defensive aggregation strategy: a two-step, linear-time approach that controls worst-case risk, thereby defending against extreme cases with negligible computational overhead. Embodying this strategy, we propose a novel cache eviction method, DefensiveKV and its extension, Layer-DefensiveKV, which incorporates layer-wise budget allocation. Across seven task domains (18 datasets), our methods reduce generation quality loss by 2.3x and 4.3x respectively, versus the strongest baseline under a 20% cache size. These results set new performance benchmarks and pioneer a promising direction for optimizing cache eviction against underlying fragility through worst-case risk management. Our code is available at https://github.com/FFY0/DefensiveKV.

Video-based Large Language Models (Video-LLMs) have witnessed substantial advancements in recent years, propelled by the advancement in multi-modal LLMs. Although these models have demonstrated proficiency in providing the overall description of videos, they struggle with fine-grained understanding, particularly in aspects such as visual dynamics and video details inquiries. To tackle these shortcomings, we find that fine-tuning Video-LLMs on self-supervised fragment tasks, greatly improve their fine-grained video understanding abilities. Hence we propose two key contributions:(1) Self-Supervised Fragment Fine-Tuning (SF^2T), a novel effortless fine-tuning method, employs the rich inherent characteristics of videos for training, while unlocking more fine-grained understanding ability of Video-LLMs. Moreover, it relieves researchers from labor-intensive annotations and smartly circumvents the limitations of natural language, which often fails to capture the complex spatiotemporal variations in videos; (2) A novel benchmark dataset, namely FineVidBench, for rigorously assessing Video-LLMs' performance at both the scene and fragment levels, offering a comprehensive evaluation of their capabilities. We assessed multiple models and validated the effectiveness of SF^2T on them. Experimental results reveal that our approach improves their ability to capture and interpret spatiotemporal details.

As with many other problems, real-world regression is plagued by the presence of noisy labels, an inevitable issue that demands our attention. Fortunately, much real-world data often exhibits an intrinsic property of continuously ordered correlations between labels and features, where data points with similar labels are also represented with closely related features. In response, we propose a novel approach named ConFrag, where we collectively model the regression data by transforming them into disjoint yet contrasting fragmentation pairs. This enables the training of more distinctive representations, enhancing the ability to select clean samples. Our ConFrag framework leverages a mixture of neighboring fragments to discern noisy labels through neighborhood agreement among expert feature extractors. We extensively perform experiments on six newly curated benchmark datasets of diverse domains, including age prediction, price prediction, and music production year estimation. We also introduce a metric called Error Residual Ratio (ERR) to better account for varying degrees of label noise. Our approach consistently outperforms fourteen state-of-the-art baselines, being robust against symmetric and random Gaussian label noise.

With the rapid growth of User-Generated Content (UGC) exchanged between users and sharing platforms, the need for video quality assessment in the wild is increasingly evident. UGC is typically acquired using consumer devices and undergoes multiple rounds of compression (transcoding) before reaching the end user. Therefore, traditional quality metrics that employ the original content as a reference are not suitable. In this paper, we propose ReLaX-VQA, a novel No-Reference Video Quality Assessment (NR-VQA) model that aims to address the challenges of evaluating the quality of diverse video content without reference to the original uncompressed videos. ReLaX-VQA uses frame differences to select spatio-temporal fragments intelligently together with different expressions of spatial features associated with the sampled frames. These are then used to better capture spatial and temporal variabilities in the quality of neighbouring frames. Furthermore, the model enhances abstraction by employing layer-stacking techniques in deep neural network features from Residual Networks and Vision Transformers. Extensive testing across four UGC datasets demonstrates that ReLaX-VQA consistently outperforms existing NR-VQA methods, achieving an average SRCC of 0.8658 and PLCC of 0.8873. Open-source code and trained models that will facilitate further research and applications of NR-VQA can be found at https://github.com/xinyiW915/ReLaX-VQA.

Large Language Models (LLMs) are employed across various high-stakes domains, where the reliability of their outputs is crucial. One commonly used method to assess the reliability of LLMs' responses is uncertainty estimation, which gauges the likelihood of their answers being correct. While many studies focus on improving the accuracy of uncertainty estimations for LLMs, our research investigates the fragility of uncertainty estimation and explores potential attacks. We demonstrate that an attacker can embed a backdoor in LLMs, which, when activated by a specific trigger in the input, manipulates the model's uncertainty without affecting the final output. Specifically, the proposed backdoor attack method can alter an LLM's output probability distribution, causing the probability distribution to converge towards an attacker-predefined distribution while ensuring that the top-1 prediction remains unchanged. Our experimental results demonstrate that this attack effectively undermines the model's self-evaluation reliability in multiple-choice questions. For instance, we achieved a 100 attack success rate (ASR) across three different triggering strategies in four models. Further, we investigate whether this manipulation generalizes across different prompts and domains. This work highlights a significant threat to the reliability of LLMs and underscores the need for future defenses against such attacks. The code is available at https://github.com/qcznlp/uncertainty_attack.

We introduce FragAtlas-62M, a specialized foundation model trained on the largest fragment dataset to date. Built on the complete ZINC-22 fragment subset comprising over 62 million molecules, it achieves unprecedented coverage of fragment chemical space. Our GPT-2 based model (42.7M parameters) generates 99.90% chemically valid fragments. Validation across 12 descriptors and three fingerprint methods shows generated fragments closely match the training distribution (all effect sizes < 0.4). The model retains 53.6% of known ZINC fragments while producing 22% novel structures with practical relevance. We release FragAtlas-62M with training code, preprocessed data, documentation, and model weights to accelerate adoption.

Proteins perform nearly all cellular functions and constitute most drug targets, making their analysis fundamental to understanding human biology in health and disease. Tandem mass spectrometry (MS^2) is the major analytical technique in proteomics that identifies peptides by ionizing them, fragmenting them, and using the resulting mass spectra to identify and quantify proteins in biological samples. In MS^2 analysis, peptide fragment ion probability prediction plays a critical role, enhancing the accuracy of peptide identification from mass spectra as a complement to the intensity information. Current approaches rely on global statistics of fragmentation, which assumes that a fragment's probability is uniform across all peptides. Nevertheless, this assumption is oversimplified from a biochemical principle point of view and limits accurate prediction. To address this gap, we present Pep2Prob, the first comprehensive dataset and benchmark designed for peptide-specific fragment ion probability prediction. The proposed dataset contains fragment ion probability statistics for 608,780 unique precursors (each precursor is a pair of peptide sequence and charge state), summarized from more than 183 million high-quality, high-resolution, HCD MS^2 spectra with validated peptide assignments and fragmentation annotations. We establish baseline performance using simple statistical rules and learning-based methods, and find that models leveraging peptide-specific information significantly outperform previous methods using only global fragmentation statistics. Furthermore, performance across benchmark models with increasing capacities suggests that the peptide-fragmentation relationship exhibits complex nonlinearities requiring sophisticated machine learning approaches.

LLMs for clinical decision support often fail under small but clinically meaningful input shifts such as masking a symptom or negating a finding, despite high performance on static benchmarks. These reasoning failures frequently go undetected by standard NLP metrics, which are insensitive to latent representation shifts that drive diagnosis instability. We propose a geometry-aware evaluation framework, LAPD (Latent Agentic Perturbation Diagnostics), which systematically probes the latent robustness of clinical LLMs under structured adversarial edits. Within this framework, we introduce Latent Diagnosis Flip Rate (LDFR), a model-agnostic diagnostic signal that captures representational instability when embeddings cross decision boundaries in PCA-reduced latent space. Clinical notes are generated using a structured prompting pipeline grounded in diagnostic reasoning, then perturbed along four axes: masking, negation, synonym replacement, and numeric variation to simulate common ambiguities and omissions. We compute LDFR across both foundation and clinical LLMs, finding that latent fragility emerges even under minimal surface-level changes. Finally, we validate our findings on 90 real clinical notes from the DiReCT benchmark (MIMIC-IV), confirming the generalizability of LDFR beyond synthetic settings. Our results reveal a persistent gap between surface robustness and semantic stability, underscoring the importance of geometry-aware auditing in safety-critical clinical AI.

Femtosecond thermal lens spectroscopy (FTLS) is a powerful analytical tool, yet its application to complex, multi-component mixtures like fragrance accords remains limited. Here, we introduce and validate a unified metric, the Femtosecond Thermal Lens Integrated Magnitude (FTL-IM), to characterize such mixtures. The FTL-IM, derived from the integrated signal area, provides a direct, model-free measure of the total thermo-optical response, including critical convective effects. Applying the FTL-IM to complex six-component accords, we demonstrate its utility in predicting a mixture's thermal response from its composition through linear additivity with respect to component mole fractions. Our method quantifies the accords' behavior, revealing both the baseline contributions of components and the dominant, non-linear effects of highly-active species like Methyl Anthranilate. This consistency is validated across single-beam Z-scan, dual-beam Z-scan, and time-resolved FTLS measurements. The metric also demonstrates the necessity of single-beam measurements for interpreting dual-beam data. This work establishes a rapid, quantitative method for fragrance analysis, offering advantages for quality control by directly linking a mixture's bulk thermo-optical properties to its composition.

Recent advancements in Large Language Models (LLMs) have sparked widespread concerns about their safety. Recent work demonstrates that safety alignment of LLMs can be easily removed by fine-tuning with a few adversarially chosen instruction-following examples, i.e., fine-tuning attacks. We take a further step to understand fine-tuning attacks in multilingual LLMs. We first discover cross-lingual generalization of fine-tuning attacks: using a few adversarially chosen instruction-following examples in one language, multilingual LLMs can also be easily compromised (e.g., multilingual LLMs fail to refuse harmful prompts in other languages). Motivated by this finding, we hypothesize that safety-related information is language-agnostic and propose a new method termed Safety Information Localization (SIL) to identify the safety-related information in the model parameter space. Through SIL, we validate this hypothesis and find that only changing 20% of weight parameters in fine-tuning attacks can break safety alignment across all languages. Furthermore, we provide evidence to the alternative pathways hypothesis for why freezing safety-related parameters does not prevent fine-tuning attacks, and we demonstrate that our attack vector can still jailbreak LLMs adapted to new languages.

High-resolution inputs enable Large Vision-Language Models (LVLMs) to discern finer visual details, enhancing their comprehension capabilities. To reduce the training and computation costs caused by high-resolution input, one promising direction is to use sliding windows to slice the input into uniform patches, each matching the input size of the well-trained vision encoder. Although efficient, this slicing strategy leads to the fragmentation of original input, i.e., the continuity of contextual information and spatial geometry is lost across patches, adversely affecting performance in cross-patch context perception and position-specific tasks. To overcome these shortcomings, we introduce HiRes-LLaVA, a novel framework designed to efficiently process any size of high-resolution input without altering the original contextual and geometric information. HiRes-LLaVA comprises two innovative components: (i) a SliceRestore adapter that reconstructs sliced patches into their original form, efficiently extracting both global and local features via down-up-sampling and convolution layers, and (ii) a Self-Mining Sampler to compresses the vision tokens based on themselves, preserving the original context and positional information while reducing training overhead. To assess the ability of handling context fragmentation, we construct a new benchmark, EntityGrid-QA, consisting of edge-related and position-related tasks. Our comprehensive experiments demonstrate the superiority of HiRes-LLaVA on both existing public benchmarks and on EntityGrid-QA, particularly on document-oriented tasks, establishing new standards for handling high-resolution inputs.

State-of-the-art deep-learning-based approaches to Natural Language Processing (NLP) are credited with various capabilities that involve reasoning with natural language texts. In this paper we carry out a large-scale empirical study investigating the detection of formally valid inferences in controlled fragments of natural language for which the satisfiability problem becomes increasingly complex. We find that, while transformer-based language models perform surprisingly well in these scenarios, a deeper analysis re-veals that they appear to overfit to superficial patterns in the data rather than acquiring the logical principles governing the reasoning in these fragments.

Current deep video quality assessment (VQA) methods are usually with high computational costs when evaluating high-resolution videos. This cost hinders them from learning better video-quality-related representations via end-to-end training. Existing approaches typically consider naive sampling to reduce the computational cost, such as resizing and cropping. However, they obviously corrupt quality-related information in videos and are thus not optimal for learning good representations for VQA. Therefore, there is an eager need to design a new quality-retained sampling scheme for VQA. In this paper, we propose Grid Mini-patch Sampling (GMS), which allows consideration of local quality by sampling patches at their raw resolution and covers global quality with contextual relations via mini-patches sampled in uniform grids. These mini-patches are spliced and aligned temporally, named as fragments. We further build the Fragment Attention Network (FANet) specially designed to accommodate fragments as inputs. Consisting of fragments and FANet, the proposed FrAgment Sample Transformer for VQA (FAST-VQA) enables efficient end-to-end deep VQA and learns effective video-quality-related representations. It improves state-of-the-art accuracy by around 10% while reducing 99.5% FLOPs on 1080P high-resolution videos. The newly learned video-quality-related representations can also be transferred into smaller VQA datasets, boosting performance in these scenarios. Extensive experiments show that FAST-VQA has good performance on inputs of various resolutions while retaining high efficiency. We publish our code at https://github.com/timothyhtimothy/FAST-VQA.

Watermarking embeds statistical signatures in AI-generated text for detection and attribution. We reveal a fundamental vulnerability: when users access multiple models (today's reality), watermarks trivially fail. Watermarks perturb output distributions away from the original, and in competitive markets, these perturbations are typically independent across providers. We theoretically prove that averaging output probability distributions recovers the unwatermarked distribution with up to a second-order error term. Empirically, simply averaging 3-5 models cancels out these perturbations. We introduce WASH (Watermark Attenuation via Statistical Hybridisation), which solves practical challenges in ensemble generation: vocabulary misalignment and tokenisation differences across heterogeneous models. Experiments across six watermarking schemes and three LLMs show that averaging across 3 models suppresses detection z-scores from 5-300 to below 2 (below the detection threshold of 4) and reduces TPR at 5% FPR to below 50%, while improving quality by 27.5% and running 6 times faster than the best baseline on the long sequence generation. Our results suggest that robust AI-text detection via watermarking requires either accepting this fundamental vulnerability or unprecedented coordination among model providers.

Large Language Models (LLMs) and Vision Language Models (VLMs) have recently shown promising capabilities in various scientific ___domain. In particular, these advances have opened new opportunities in drug discovery, where the ability to understand and modify molecular structures is critical for optimizing drug properties such as efficacy and toxicity. However, existing models and benchmarks often overlook toxicity-related challenges, focusing primarily on general property optimization without adequately addressing safety concerns. In addition, even existing toxicity repair benchmarks suffer from limited data diversity, low structural validity of generated molecules, and heavy reliance on proxy models for toxicity assessment. To address these limitations, we propose MolDeTox, a novel benchmark for molecular detoxification, designed to enable fine-grained and reliable evaluation of toxicity-aware molecular optimization across stepwise tasks. We evaluate a wide range of general-purpose LLMs and VLMs under diverse settings, and demonstrate that understanding and generating molecules at the fragment-level improves structural validity and enhances the quality of generated molecules. Moreover, through detailed task-level performance analysis, MolDeTox provides an interpretable benchmark that enables a deeper understanding of the detoxification process. Our dataset is available at : https://huggingface.co/datasets/MolDeTox/MolDeTox

This work investigates the fundamental fragility of state-of-the-art Vision-Language Models (VLMs) under basic geometric transformations. While modern VLMs excel at semantic tasks such as recognizing objects in canonical orientations and describing complex scenes, they exhibit systematic failures at a more fundamental level: lack of robust spatial invariance and equivariance required to reliably determine object identity under simple rotations, scaling, and identity transformations. We demonstrate this limitation through a systematic evaluation across diverse visual domains, including symbolic sketches, natural photographs, and abstract art. Performance drops sharply as semantic content becomes sparse, and this behavior is observed across architectures, model capacities, and prompting strategies. Overall, our results reveal a systematic gap between semantic understanding and spatial reasoning in current VLMs, highlighting the need for stronger geometric grounding in future multimodal systems.

Video Object-Centric Learning seeks to decompose raw videos into a small set of object slots, but existing slot-attention models often suffer from severe over-fragmentation. This is because the model is implicitly encouraged to occupy all slots to minimize the reconstruction objective, thereby representing a single object with multiple redundant slots. We tackle this limitation with a reconstruction-guided slot curriculum (SlotCurri). Training starts with only a few coarse slots and progressively allocates new slots where reconstruction error remains high, thus expanding capacity only where it is needed and preventing fragmentation from the outset. Yet, during slot expansion, meaningful sub-parts can emerge only if coarse-level semantics are already well separated; however, with a small initial slot budget and an MSE objective, semantic boundaries remain blurry. Therefore, we augment MSE with a structure-aware loss that preserves local contrast and edge information to encourage each slot to sharpen its semantic boundaries. Lastly, we propose a cyclic inference that rolls slots forward and then backward through the frame sequence, producing temporally consistent object representations even in the earliest frames. All combined, SlotCurri addresses object over-fragmentation by allocating representational capacity where reconstruction fails, further enhanced by structural cues and cyclic inference. Notable FG-ARI gains of +6.8 on YouTube-VIS and +8.3 on MOVi-C validate the effectiveness of SlotCurri. Our code is available at github.com/wjun0830/SlotCurri.

AI systems that "think" in human language offer a unique opportunity for AI safety: we can monitor their chains of thought (CoT) for the intent to misbehave. Like all other known AI oversight methods, CoT monitoring is imperfect and allows some misbehavior to go unnoticed. Nevertheless, it shows promise and we recommend further research into CoT monitorability and investment in CoT monitoring alongside existing safety methods. Because CoT monitorability may be fragile, we recommend that frontier model developers consider the impact of development decisions on CoT monitorability.

The incorporation of high-resolution visual input equips multimodal large language models (MLLMs) with enhanced visual perception capabilities for real-world tasks. However, most existing high-resolution MLLMs rely on a cropping-based approach to process images, which leads to fragmented visual encoding and a sharp increase in redundant tokens. To tackle these issues, we propose the FALCON model. FALCON introduces a novel visual register technique to simultaneously: 1) Eliminate redundant tokens at the stage of visual encoding. To directly address the visual redundancy present in the output of vision encoder, we propose a Register-based Representation Compacting (ReCompact) mechanism. This mechanism introduces a set of learnable visual registers designed to adaptively aggregate essential information while discarding redundancy. It enables the encoder to produce a more compact visual representation with a minimal number of output tokens, thus eliminating the need for an additional compression module. 2) Ensure continuity in visual encoding. To address the potential encoding errors caused by fragmented visual inputs, we develop a Register Interactive Attention (ReAtten) module. This module facilitates effective and efficient information exchange across sub-images by enabling interactions between visual registers. It ensures the continuity of visual semantics throughout the encoding. We conduct comprehensive experiments with FALCON on high-resolution benchmarks across a wide range of scenarios. FALCON demonstrates superior performance with a remarkable 9-fold reduction in visual tokens.

Recent studies of the emergent capabilities of transformer-based Natural Language Understanding (NLU) models have indicated that they have an understanding of lexical and compositional semantics. We provide evidence that suggests these claims should be taken with a grain of salt: we find that state-of-the-art Natural Language Inference (NLI) models are sensitive towards minor semantics preserving surface-form variations, which lead to sizable inconsistent model decisions during inference. Notably, this behaviour differs from valid and in-depth comprehension of compositional semantics, however does neither emerge when evaluating model accuracy on standard benchmarks nor when probing for syntactic, monotonic, and logically robust reasoning. We propose a novel framework to measure the extent of semantic sensitivity. To this end, we evaluate NLI models on adversarially generated examples containing minor semantics-preserving surface-form input noise. This is achieved using conditional text generation, with the explicit condition that the NLI model predicts the relationship between the original and adversarial inputs as a symmetric equivalence entailment. We systematically study the effects of the phenomenon across NLI models for in- and out-of- ___domain settings. Our experiments show that semantic sensitivity causes performance degradations of 12.92% and 23.71% average over in- and out-of- ___domain settings, respectively. We further perform ablation studies, analysing this phenomenon across models, datasets, and variations in inference and show that semantic sensitivity can lead to major inconsistency within model predictions.

Alignment tuning is meant to make harmful-request refusal robust, yet this safety behavior can be erased by a small set of benign fine-tuning examples. This is a deployment risk for open-weight models because a checkpoint can pass refusal tests at release time and later lose refusal under low-cost downstream fine-tuning. Prior work has established these refusal failures, but existing studies do not show how to detect this fragility in the aligned model itself before an attack or fine-tuning intervention is run. We introduce Skin-Deep, a geometric diagnostic that detects alignment fragility directly from the aligned model's hidden-state activations before such an intervention is run and compresses the layer-wise safety geometry into a single scalar, the Geometric Fragility Score (GFS). Applied to twenty-one instruction-tuned models spanning six alignment recipes and 3B--32B parameters, Skin-Deep reveals a recurring low-rank safety subspace across model families. Direction ablations show that removing directions in this subspace weakens harmful-request refusal, providing causal evidence that the recovered geometry underlies refusal behavior. Crucially, GFS identifies, before any fine-tuning, the initially safe model that retains the most refusal after small-scale LoRA fine-tuning. These results establish GFS as a practical pre-deployment diagnostic for flagging fragile refusal behavior without running an attack.

Instruction-tuned large language models produce helpful, structured responses, but how robust is this helpfulness under trivial constraints? We show that simple lexical constraints (banning a single punctuation character or common word) cause instruction-tuned LLMs to collapse their responses, losing 14--48\% of comprehensiveness across seven models spanning five families (7B--70B, open- and closed-weight). A blinded human evaluation with 10 STEM-trained evaluators confirms genuine content loss, with information criteria degrading 1.5--2.3times more than surface criteria, a finding corroborated by over 4,100 automated pairwise comparisons (77--100\% baseline preference) across three LLM judges from two model families. Diagnostic analysis identifies this as a planning failure: two-pass generation recovers 59--96\% of response length, and linear probes on prompt representations predict response length with R^2 = 0.51--0.94 before generation begins. The same probes yield negative R^2 on base models, confirming that instruction tuning introduces the representational structure underlying the collapse. Base models show no systematic degradation under identical constraints, demonstrating that instruction tuning couples task competence to narrow surface-form templates. The effect extends to realistic deployment constraints (preamble suppression, corporate tone guidelines, legal compliance hedging, accessibility requirements) causing comparable degradation (-22\% to -34\%), with suppressing the conversational opener alone (``Certainly!'') causing 40\% collapse on our most fragile model despite restricting only the opening tokens. We further show that standard independent LLM-as-judge evaluation detects only a 3.5\% quality drop where pairwise evaluation reveals 23\%, exposing a methodological blind spot in current evaluation practice.

A key challenge in evaluating VLMs is testing models' ability to analyze visual content independently from their textual priors. Recent benchmarks such as BLINK probe visual perception through visual prompting, where questions about visual content are paired with coordinates to which the question refers, with the coordinates explicitly marked in the image itself. While these benchmarks are an important part of VLM evaluation, we find that existing models are surprisingly fragile to seemingly irrelevant details of visual prompting: simply changing a visual marker from red to blue can completely change rankings among models on a leaderboard. By evaluating nine commonly-used open- and closed-source VLMs on two visually prompted tasks, we demonstrate how details in benchmark setup, including visual marker design and dataset size, have a significant influence on model performance and leaderboard rankings. These effects can even be exploited to lift weaker models above stronger ones; for instance, slightly increasing the size of the visual marker results in open-source InternVL3-8B ranking alongside or better than much larger proprietary models like Gemini 2.5 Pro. We further show that low-level inference choices that are often ignored in benchmarking, such as JPEG compression levels in API calls, can also cause model lineup changes. These details have substantially larger impacts on visually prompted benchmarks than on conventional semantic VLM evaluations. To mitigate this instability, we curate existing datasets to create VPBench, a larger visually prompted benchmark with 16 visual marker variants. We open-source VPBench and our analysis framework at: https://lisadunlap.github.io/vpbench/.

Rapid advances in generative AI have led to increasingly realistic deepfakes, posing growing challenges for law enforcement and public trust. Existing passive deepfake detectors struggle to keep pace, largely due to their dependence on specific forgery artifacts, which limits their ability to generalize to new deepfake types. Proactive deepfake detection using watermarks has emerged to address the challenge of identifying high-quality synthetic media. However, these methods often struggle to balance robustness against benign distortions with sensitivity to malicious tampering. This paper introduces a novel deep learning framework that harnesses high-dimensional latent space representations and the Multi-Agent Adversarial Reinforcement Learning (MAARL) paradigm to develop a robust and adaptive watermarking approach. Specifically, we develop a learnable watermark embedder that operates in the latent space, capturing high-level image semantics, while offering precise control over message encoding and extraction. The MAARL paradigm empowers the learnable watermarking agent to pursue an optimal balance between robustness and fragility by interacting with a dynamic curriculum of benign and malicious image manipulations simulated by an adversarial attacker agent. Comprehensive evaluations on the CelebA and CelebA-HQ benchmarks reveal that our method consistently outperforms state-of-the-art approaches, achieving improvements of over 4.5% on CelebA and more than 5.3% on CelebA-HQ under challenging manipulation scenarios.

Determining the binding pose of a ligand to a protein, known as molecular docking, is a fundamental task in drug discovery. Generative approaches promise faster, improved, and more diverse pose sampling than physics-based methods, but are often hindered by chemically implausible outputs, poor generalisability, and high computational cost. To address these challenges, we introduce a novel fragmentation scheme, leveraging inductive biases from structural chemistry, to decompose ligands into rigid-body fragments. Building on this decomposition, we present SigmaDock, an SE(3) Riemannian diffusion model that generates poses by learning to reassemble these rigid bodies within the binding pocket. By operating at the level of fragments in SE(3), SigmaDock exploits well-established geometric priors while avoiding overly complex diffusion processes and unstable training dynamics. Experimentally, we show SigmaDock achieves state-of-the-art performance, reaching Top-1 success rates (RMSD<2 & PB-valid) above 79.9% on the PoseBusters set, compared to 12.7-30.8% reported by recent deep learning approaches, whilst demonstrating consistent generalisation to unseen proteins. SigmaDock is the first deep learning approach to surpass classical physics-based docking under the PB train-test split, marking a significant leap forward in the reliability and feasibility of deep learning for molecular modelling.

Pairwise compatibility calculation is at the core of most fragments-reconstruction algorithms, in particular those designed to solve different types of the jigsaw puzzle problem. However, most existing approaches fail, or aren't designed to deal with fragments of realistic geometric properties one encounters in real-life puzzles. And in all other cases, compatibility methods rely strongly on the restricted shapes of the fragments. In this paper, we propose an efficient hybrid (geometric and pictorial) approach for computing the optimal alignment for pairs of fragments, without any assumptions about their shapes, dimensions, or pictorial content. We introduce a new image fragments dataset generated via a novel method for image fragmentation and a formal erosion model that mimics real-world archaeological erosion, along with evaluation metrics for the compatibility task. We then embed our proposed compatibility into an archaeological puzzle-solving framework and demonstrate state-of-the-art neighborhood-level precision and recall on the RePAIR 2D dataset, directly reflecting compatibility performance improvements.

With the explosive growth of multi-modal information on the Internet, unimodal search cannot satisfy the requirement of Internet applications. Text-image retrieval research is needed to realize high-quality and efficient retrieval between different modalities. Existing text-image retrieval research is mostly based on general vision-language datasets (e.g. MS-COCO, Flickr30K), in which the query utterance is rigid and unnatural (i.e. verbosity and formality). To overcome the shortcoming, we construct a new Compact and Fragmented Query challenge dataset (named Flickr30K-CFQ) to model text-image retrieval task considering multiple query content and style, including compact and fine-grained entity-relation corpus. We propose a novel query-enhanced text-image retrieval method using prompt engineering based on LLM. Experiments show that our proposed Flickr30-CFQ reveals the insufficiency of existing vision-language datasets in realistic text-image tasks. Our LLM-based Query-enhanced method applied on different existing text-image retrieval models improves query understanding performance both on public dataset and our challenge set Flickr30-CFQ with over 0.9% and 2.4% respectively. Our project can be available anonymously in https://sites.google.com/view/Flickr30K-cfq.

Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have demonstrated promising results, they usually treat pockets independent of ligands, neglecting the fundamental interactions between them. However, the limited pocket-ligand complex structures available in the PDB database (less than 100 thousand non-redundant pairs) hampers large-scale pretraining endeavors for interaction modeling. To address this constraint, we propose a novel pocket pretraining approach that leverages knowledge from high-resolution atomic protein structures, assisted by highly effective pretrained small molecule representations. By segmenting protein structures into drug-like fragments and their corresponding pockets, we obtain a reasonable simulation of ligand-receptor interactions, resulting in the generation of over 5 million complexes. Subsequently, the pocket encoder is trained in a contrastive manner to align with the representation of pseudo-ligand furnished by some pretrained small molecule encoders. Our method, named ProFSA, achieves state-of-the-art performance across various tasks, including pocket druggability prediction, pocket matching, and ligand binding affinity prediction. Notably, ProFSA surpasses other pretraining methods by a substantial margin. Moreover, our work opens up a new avenue for mitigating the scarcity of protein-ligand complex data through the utilization of high-quality and diverse protein structure databases.

Do state-of-the-art models for language understanding already have, or can they easily learn, abilities such as boolean coordination, quantification, conditionals, comparatives, and monotonicity reasoning (i.e., reasoning about word substitutions in sentential contexts)? While such phenomena are involved in natural language inference (NLI) and go beyond basic linguistic understanding, it is unclear the extent to which they are captured in existing NLI benchmarks and effectively learned by models. To investigate this, we propose the use of semantic fragments---systematically generated datasets that each target a different semantic phenomenon---for probing, and efficiently improving, such capabilities of linguistic models. This approach to creating challenge datasets allows direct control over the semantic diversity and complexity of the targeted linguistic phenomena, and results in a more precise characterization of a model's linguistic behavior. Our experiments, using a library of 8 such semantic fragments, reveal two remarkable findings: (a) State-of-the-art models, including BERT, that are pre-trained on existing NLI benchmark datasets perform poorly on these new fragments, even though the phenomena probed here are central to the NLI task. (b) On the other hand, with only a few minutes of additional fine-tuning---with a carefully selected learning rate and a novel variation of "inoculation"---a BERT-based model can master all of these logic and monotonicity fragments while retaining its performance on established NLI benchmarks.

This paper describes a system designed to distinguish between AI-generated and human-written scientific excerpts in the DAGPap24 competition hosted within the Fourth Workshop on Scientific Document Processing. In this competition the task is to find artificially generated token-level text fragments in documents of a scientific ___domain. Our work focuses on the use of a multi-task learning architecture with two heads. The application of this approach is justified by the specificity of the task, where class spans are continuous over several hundred characters. We considered different encoder variations to obtain a state vector for each token in the sequence, as well as a variation in splitting fragments into tokens to further feed into the input of a transform-based encoder. This approach allows us to achieve a 9% quality improvement relative to the baseline solution score on the development set (from 0.86 to 0.95) using the average macro F1-score, as well as a score of 0.96 on a closed test part of the dataset from the competition.

Serving Large Language Models (LLMs) in production faces significant challenges from highly variable request patterns and severe resource fragmentation in serverless clusters. Current systems rely on static pipeline configurations that struggle to adapt to dynamic workload conditions, leading to substantial inefficiencies. We present FlexPipe, a novel system that dynamically reconfigures pipeline architectures during runtime to address these fundamental limitations. FlexPipe decomposes models into fine-grained stages and intelligently adjusts pipeline granularity based on real-time request pattern analysis, implementing three key innovations: fine-grained model partitioning with preserved computational graph constraints, inflight pipeline refactoring with consistent cache transitions, and topology-aware resource allocation that navigates GPU fragmentation. Comprehensive evaluation on an 82-GPU cluster demonstrates that FlexPipe achieves up to 8.5x better resource efficiency while maintaining 38.3% lower latency compared to state-of-the-art systems, reducing GPU reservation requirements from 75% to 30% of peak capacity.

Quantum many-body scars (QMBS) are exotic many-body states that exhibit anomalous non-thermal behavior in an otherwise ergodic system. In this work, we demonstrate a simple, scalable and intuitive construction of QMBS in a kinetically constrained quantum model exhibiting weak Hilbert space fragmentation. We show that exact QMBS can be constructed by injecting a quasiparticle that partially activates the frozen regions in the lattice. Meanwhile, the inelastic collision between multiple quasiparticles allows for the construction of approximate scars, whose damping is governed by an emergent two-body loss. Our findings establish direct connections between quantum many-body scarring and Hilbert space fragmentation, paving the way for systematically constructing exact and approximate QMBS with nontrivial spatial connectivity. The proposed model can be readily implemented in neutral-atom quantum simulators aided by strong Rydberg interactions.

In this paper, we propose a learning-based image fragment pair-searching and -matching approach to solve the challenging restoration problem. Existing works use rule-based methods to match similar contour shapes or textures, which are always difficult to tune hyperparameters for extensive data and computationally time-consuming. Therefore, we propose a neural network that can effectively utilize neighbor textures with contour shape information to fundamentally improve performance. First, we employ a graph-based network to extract the local contour and texture features of fragments. Then, for the pair-searching task, we adopt a linear transformer-based module to integrate these local features and use contrastive loss to encode the global features of each fragment. For the pair-matching task, we design a weighted fusion module to dynamically fuse extracted local contour and texture features, and formulate a similarity matrix for each pair of fragments to calculate the matching score and infer the adjacent segment of contours. To faithfully evaluate our proposed network, we created a new image fragment dataset through an algorithm we designed that tears complete images into irregular fragments. The experimental results show that our proposed network achieves excellent pair-searching accuracy, reduces matching errors, and significantly reduces computational time. Details, sourcecode, and data are available in our supplementary material.

Style is an important concept in today's challenges in natural language generating. After the success in the field of image style transfer, the task of text style transfer became actual and attractive. Researchers are also interested in the tasks of style reproducing in generation of the poetic text. Evaluation of style reproducing in natural poetry generation remains a problem. I used 3 character-based LSTM-models to work with style reproducing assessment. All three models were trained on the corpus of texts by famous Russian-speaking poets. Samples were shown to the assessors and 4 answer options were offered, the style of which poet this sample reproduces. In addition, the assessors were asked how well they were familiar with the work of the poet they had named. Students studying history of literature were the assessors, 94 answers were received. It has appeared that accuracy of definition of style increases if the assessor can quote the poet by heart. Each model showed at least 0.7 macro-average accuracy. The experiment showed that it is better to involve a professional rather than a naive reader in the evaluation of style in the tasks of poetry generation, while lstm models are good at reproducing the style of Russian poets even on a limited training corpus.

Generalist robot policies trained on large-scale datasets such as Open X-Embodiment (OXE) demonstrate strong performance across a wide range of tasks. However, they often struggle to generalize beyond the distribution of their training data. In this paper, we investigate the underlying cause of this limited generalization capability. We identify shortcut learning -- the reliance on task-irrelevant features -- as a key impediment to generalization. Through comprehensive theoretical and empirical analysis, we uncover two primary contributors to shortcut learning: (1) limited diversity within individual sub-datasets, and (2) significant distributional disparities across sub-datasets, leading to dataset fragmentation. These issues arise from the inherent structure of large-scale datasets like OXE, which are typically composed of multiple sub-datasets collected independently across varied environments and embodiments. Our findings provide critical insights into dataset collection strategies that can reduce shortcut learning and enhance the generalization ability of generalist robot policies. Moreover, in scenarios where acquiring new large-scale data is impractical, we demonstrate that carefully selected robotic data augmentation strategies can effectively reduce shortcut learning in existing offline datasets, thereby improving generalization capabilities of generalist robot policies, e.g., pi_0, in both simulation and real-world environments. More information at https://lucky-light-sun.github.io/proj/shortcut-learning-in-grps/.

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures remains a labor-intensive and expertise-dependent process, particularly for complex or novel compounds. Although recent methods have been proposed for molecular structure elucidation, they often underperform in real-world applications due to inherent algorithmic limitations and limited high-quality data. Here, we present NMR-Solver, a practical and interpretable framework for the automated determination of small organic molecule structures from ^1H and ^{13}C NMR spectra. Our method introduces an automated framework for molecular structure elucidation, integrating large-scale spectral matching with physics-guided fragment-based optimization that exploits atomic-level structure-spectrum relationships in NMR. We evaluate NMR-Solver on simulated benchmarks, curated experimental data from the literature, and real-world experiments, demonstrating its strong generalization, robustness, and practical utility in challenging, real-life scenarios. NMR-Solver unifies computational NMR analysis, deep learning, and interpretable chemical reasoning into a coherent system. By incorporating the physical principles of NMR into molecular optimization, it enables scalable, automated, and chemically meaningful molecular identification, establishing a generalizable paradigm for solving inverse problems in molecular science.

Large language model (LLM) routing has emerged as a crucial strategy for balancing computational costs with performance by dynamically assigning queries to the most appropriate model based on query complexity. Despite recent advances showing that preference-data-based routers can outperform traditional methods, current evaluation benchmarks remain limited. They largely focus on general model capabilities while overlooking task-specific behaviors and critical concerns such as privacy, safety, and potential backdoor vulnerabilities introduced through preference data. In response, we propose the DSC benchmark: Diverse, Simple, and Categorized, an evaluation framework that categorizes router performance across a broad spectrum of query types, including coding, translation, mathematics, human instructions, general knowledge, and LLM jailbreaking. Additionally, it integrates privacy and safety assessments to reveal hidden risks. Our experiments on three preference-based routers and two commercial counterparts demonstrate that while these systems improve efficiency, they often make suboptimal, category-driven decisions. For instance, a BERT-based router directs all coding and mathematics queries to the most powerful LLM even when simpler models would suffice, while routing jailbreaking attempts to weaker models, thereby elevating safety risks.

Jigsaw puzzle solving has been an increasingly popular task in the computer vision research community. Recent works have utilized cutting-edge architectures and computational approaches to reassemble groups of pieces into a coherent image, while achieving increasingly good results on well established datasets. However, most of these approaches share a common, restricting setting: operating solely on strictly square puzzle pieces. In this work, we introduce GAP, a set of novel jigsaw puzzles datasets containing synthetic, heavily eroded pieces of unrestricted shapes, generated by a learned distribution of real-world archaeological fragments. We also introduce PuzzleFlow, a novel ViT and Flow-Matching based framework for jigsaw puzzle solving, capable of handling complex puzzle pieces and demonstrating superior performance on GAP when compared to both classic and recent prominent works in this ___domain.

We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For de novo generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproduciblehttps://github.com/invirtuolabs/InVirtuoGen_results.

While Large Language Model (LLM) agents demonstrate proficiency in static benchmarks, their deployment in real-world scenarios is hindered by the dynamic nature of user queries, tool sets, and interaction dynamics. To address this generalization gap, we formalize OpenAgent (Tool-Use Agent in Open-World), a problem setting characterized by distributional shifts across query, action, observation, and ___domain dimensions. To systematically diagnose its impact, we construct a controlled sandbox environment where we define fine-grained environmental shifts across a four-tier hierarchy, Perception, Interaction, Reasoning, and Internalization, and conduct a comprehensive series of experiments. Our analysis yields a series of key insights, demonstrating that agents trained via both Supervised Fine-Tuning(SFT) and Reinforcement Learning suffer from varying degrees of performance degradation when confronting open environmental shifts. Building on these insights, we propose Perturbation-Augmented Fine-Tuning, a disturbance-based intervention strategy for SFT that lays the foundation for enhancing agent robustness and utility in realistic environments. Our code will be released at: https://github. com/LAMDA-NeSy/OpenAgent.

"Columba-Hypatia: Astronomy for Peace" is a joint astronomy outreach project by GalileoMobile and the Association for Historical Dialogue and Research (AHDR) which takes place on the island of Cyprus. The project aims to inspire young people, through astronomy, to be curious about science and the cosmos, while also using astronomy as a tool for promoting meaningful communication and a culture of peace and non-violence. We conduct educational astronomy activities and explore the cosmos with children and the public, bringing together individuals from the various communities of Cyprus 'under the same sky' to look beyond borders and inspire a sense of global citizenship.

In this paper, we re-examine the task of cross-modal clip-sentence retrieval, where the clip is part of a longer untrimmed video. When the clip is short or visually ambiguous, knowledge of its local temporal context (i.e. surrounding video segments) can be used to improve the retrieval performance. We propose Context Transformer (ConTra); an encoder architecture that models the interaction between a video clip and its local temporal context in order to enhance its embedded representations. Importantly, we supervise the context transformer using contrastive losses in the cross-modal embedding space. We explore context transformers for video and text modalities. Results consistently demonstrate improved performance on three datasets: YouCook2, EPIC-KITCHENS and a clip-sentence version of ActivityNet Captions. Exhaustive ablation studies and context analysis show the efficacy of the proposed method.

Graph Neural Networks (GNNs) have shown great promise in tasks like node and graph classification, but they often struggle to generalize, particularly to unseen or out-of-distribution (OOD) data. These challenges are exacerbated when training data is limited in size or diversity. To address these issues, we introduce a theoretical framework using Rademacher complexity to compute a regret bound on the generalization error and then characterize the effect of data augmentation. This framework informs the design of GRATIN, an efficient graph data augmentation algorithm leveraging the capability of Gaussian Mixture Models (GMMs) to approximate any distribution. Our approach not only outperforms existing augmentation techniques in terms of generalization but also offers improved time complexity, making it highly suitable for real-world applications.

Virtual Assistants (VAs) are important Information Retrieval platforms that help users accomplish various tasks through spoken commands. The speech recognition system (speech-to-text) uses query priors, trained solely on text, to distinguish between phonetically confusing alternatives. Hence, the generation of synthetic queries that are similar to existing VA usage can greatly improve upon the VA's abilities -- especially for use-cases that do not (yet) occur in paired audio/text data. In this paper, we provide a preliminary exploration of the use of Large Language Models (LLMs) to generate synthetic queries that are complementary to template-based methods. We investigate whether the methods (a) generate queries that are similar to randomly sampled, representative, and anonymized user queries from a popular VA, and (b) whether the generated queries are specific. We find that LLMs generate more verbose queries, compared to template-based methods, and reference aspects specific to the entity. The generated queries are similar to VA user queries, and are specific enough to retrieve the relevant entity. We conclude that queries generated by LLMs and templates are complementary.

Feedback from active galactic nuclei (AGN) has become established as a fundamental process in the evolution of the most massive galaxies. Its impact on Milky Way (MW)-mass systems, however, remains comparatively unexplored. In this work, we use the Auriga simulations to probe the impact of AGN feedback on the dynamical and structural properties of galaxies, focussing on the bar, bulge, and disc. We analyse three galaxies -- two strongly and one unbarred/weakly barred -- using three setups: (i) the fiducial Auriga model, which includes both radio and quasar mode feedback, (ii) a setup with no radio mode, and (iii) one with neither the radio nor the quasar mode. When removing the radio mode, gas in the circumgalactic medium cools more efficiently and subsequently settles in an extended disc, with little effect on the inner disc. Contrary to previous studies, we find that although the removal of the quasar mode results in more massive central components, these are in the form of compact discs, rather than spheroidal bulges. Therefore, galaxies without quasar mode feedback are more baryon-dominated and thus prone to forming stronger and shorter bars, which reveals an anti-correlation between the ejective nature of AGN feedback and bar strength. Hence, we report that the effect of AGN feedback (i.e. ejective or preventive) can significantly alter the dynamical properties of MW-like galaxies. Therefore, the observed dynamical and structural properties of MW-mass galaxies can be used as additional constraints for calibrating the efficiency of AGN feedback models.

Computer-based assistants have recently attracted much interest due to its applicability to ambient assisted living. Such assistants have to detect and recognize the high-level activities and goals performed by the assisted human beings. In this work, we demonstrate activity recognition in an indoor environment in order to identify the goal towards which the subject of the video is pursuing. Our hybrid approach combines an action recognition module and a goal recognition algorithm to identify the ultimate goal of the subject in the video.

Can large language models improve without external data -- by generating their own questions and answers? We hypothesize that a pre-trained language model can improve its reasoning skills given only a single prompt specifying the topic (e.g., algebra word problems) and asking the model to generate its own questions. To do this, we propose Self-Questioning Language Models (SQLM): an asymmetric self-play framework where a proposer is given the topic and generates a question for a solver, who tries to answer it. Both the proposer and solver are trained via reinforcement learning. The proposer receives a reward if the problem is not too easy or too difficult, and the solver receives a reward based on majority voting, a proxy for correctness in the absence of ground-truth answers. For coding, the proposer can instead generate unit tests which are used for verification. We study this asymmetric self-play framework on three benchmarks: three-digit multiplication, algebra problems from the OMEGA benchmark, and programming problems from Codeforces. By continually generating more interesting problems and attempting to solve them, language models can improve on downstream benchmarks without access to any curated training datasets.

Generalist robot manipulators need to learn a wide variety of manipulation skills across diverse environments. Current robot training pipelines rely on humans to provide kinesthetic demonstrations or to program simulation environments and to code up reward functions for reinforcement learning. Such human involvement is an important bottleneck towards scaling up robot learning across diverse tasks and environments. We propose Generation to Simulation (Gen2Sim), a method for scaling up robot skill learning in simulation by automating generation of 3D assets, task descriptions, task decompositions and reward functions using large pre-trained generative models of language and vision. We generate 3D assets for simulation by lifting open-world 2D object-centric images to 3D using image diffusion models and querying LLMs to determine plausible physics parameters. Given URDF files of generated and human-developed assets, we chain-of-thought prompt LLMs to map these to relevant task descriptions, temporal decompositions, and corresponding python reward functions for reinforcement learning. We show Gen2Sim succeeds in learning policies for diverse long horizon tasks, where reinforcement learning with non temporally decomposed reward functions fails. Gen2Sim provides a viable path for scaling up reinforcement learning for robot manipulators in simulation, both by diversifying and expanding task and environment development, and by facilitating the discovery of reinforcement-learned behaviors through temporal task decomposition in RL. Our work contributes hundreds of simulated assets, tasks and demonstrations, taking a step towards fully autonomous robotic manipulation skill acquisition in simulation.

A common approach to localize 3D human joints in a synchronized and calibrated multi-view setup consists of two-steps: (1) apply a 2D detector separately on each view to localize joints in 2D, and (2) perform robust triangulation on 2D detections from each view to acquire the 3D joint locations. However, in step 1, the 2D detector is limited to solving challenging cases which could potentially be better resolved in 3D, such as occlusions and oblique viewing angles, purely in 2D without leveraging any 3D information. Therefore, we propose the differentiable "epipolar transformer", which enables the 2D detector to leverage 3D-aware features to improve 2D pose estimation. The intuition is: given a 2D ___location p in the current view, we would like to first find its corresponding point p' in a neighboring view, and then combine the features at p' with the features at p, thus leading to a 3D-aware feature at p. Inspired by stereo matching, the epipolar transformer leverages epipolar constraints and feature matching to approximate the features at p'. Experiments on InterHand and Human3.6M show that our approach has consistent improvements over the baselines. Specifically, in the condition where no external data is used, our Human3.6M model trained with ResNet-50 backbone and image size 256 x 256 outperforms state-of-the-art by 4.23 mm and achieves MPJPE 26.9 mm.

Diffusion policies are conditional diffusion models that learn robot action distributions conditioned on the robot and environment state. They have recently shown to outperform both deterministic and alternative action distribution learning formulations. 3D robot policies use 3D scene feature representations aggregated from a single or multiple camera views using sensed depth. They have shown to generalize better than their 2D counterparts across camera viewpoints. We unify these two lines of work and present 3D Diffuser Actor, a neural policy equipped with a novel 3D denoising transformer that fuses information from the 3D visual scene, a language instruction and proprioception to predict the noise in noised 3D robot pose trajectories. 3D Diffuser Actor sets a new state-of-the-art on RLBench with an absolute performance gain of 18.1% over the current SOTA on a multi-view setup and an absolute gain of 13.1% on a single-view setup. On the CALVIN benchmark, it improves over the current SOTA by a 9% relative increase. It also learns to control a robot manipulator in the real world from a handful of demonstrations. Through thorough comparisons with the current SOTA policies and ablations of our model, we show 3D Diffuser Actor's design choices dramatically outperform 2D representations, regression and classification objectives, absolute attentions, and holistic non-tokenized 3D scene embeddings.

View-predictive generative models provide strong priors for lifting object-centric images and videos into 3D and 4D through rendering and score distillation objectives. A question then remains: what about lifting complete multi-object dynamic scenes? There are two challenges in this direction: First, rendering error gradients are often insufficient to recover fast object motion, and second, view predictive generative models work much better for objects than whole scenes, so, score distillation objectives cannot currently be applied at the scene level directly. We present DreamScene4D, the first approach to generate 3D dynamic scenes of multiple objects from monocular videos via 360-degree novel view synthesis. Our key insight is a "decompose-recompose" approach that factorizes the video scene into the background and object tracks, while also factorizing object motion into 3 components: object-centric deformation, object-to-world-frame transformation, and camera motion. Such decomposition permits rendering error gradients and object view-predictive models to recover object 3D completions and deformations while bounding box tracks guide the large object movements in the scene. We show extensive results on challenging DAVIS, Kubric, and self-captured videos with quantitative comparisons and a user preference study. Besides 4D scene generation, DreamScene4D obtains accurate 2D persistent point track by projecting the inferred 3D trajectories to 2D. We will release our code and hope our work will stimulate more research on fine-grained 4D understanding from videos.

Though pre-training vision-language models have demonstrated significant benefits in boosting video-text retrieval performance from large-scale web videos, fine-tuning still plays a critical role with manually annotated clips with start and end times, which requires considerable human effort. To address this issue, we explore an alternative cheaper source of annotations, single timestamps, for video-text retrieval. We initialise clips from timestamps in a heuristic way to warm up a retrieval model. Then a video clip editing method is proposed to refine the initial rough boundaries to improve retrieval performance. A student-teacher network is introduced for video clip editing. The teacher model is employed to edit the clips in the training set whereas the student model trains on the edited clips. The teacher weights are updated from the student's after the student's performance increases. Our method is model agnostic and applicable to any retrieval models. We conduct experiments based on three state-of-the-art retrieval models, COOT, VideoCLIP and CLIP4Clip. Experiments conducted on three video retrieval datasets, YouCook2, DiDeMo and ActivityNet-Captions show that our edited clips consistently improve retrieval performance over initial clips across all the three retrieval models.

Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they enforce symmetries via the model architecture, which often reduces their expressivity, scalability and comprehensibility. In this paper, we introduce (1) a flexible framework relying on stochastic frame-averaging (SFA) to make any model E(3)-equivariant or invariant through data transformations. (2) FAENet: a simple, fast and expressive GNN, optimized for SFA, that processes geometric information without any symmetrypreserving design constraints. We prove the validity of our method theoretically and empirically demonstrate its superior accuracy and computational scalability in materials modeling on the OC20 dataset (S2EF, IS2RE) as well as common molecular modeling tasks (QM9, QM7-X). A package implementation is available at https://faenet.readthedocs.io.

Tracking pixels in videos is typically studied as an optical flow estimation problem, where every pixel is described with a displacement vector that locates it in the next frame. Even though wider temporal context is freely available, prior efforts to take this into account have yielded only small gains over 2-frame methods. In this paper, we revisit Sand and Teller's "particle video" approach, and study pixel tracking as a long-range motion estimation problem, where every pixel is described with a trajectory that locates it in multiple future frames. We re-build this classic approach using components that drive the current state-of-the-art in flow and object tracking, such as dense cost maps, iterative optimization, and learned appearance updates. We train our models using long-range amodal point trajectories mined from existing optical flow data that we synthetically augment with multi-frame occlusions. We test our approach in trajectory estimation benchmarks and in keypoint label propagation tasks, and compare favorably against state-of-the-art optical flow and feature tracking methods.

Current state-of-the-art solutions for motion capture from a single camera are optimization driven: they optimize the parameters of a 3D human model so that its re-projection matches measurements in the video (e.g. person segmentation, optical flow, keypoint detections etc.). Optimization models are susceptible to local minima. This has been the bottleneck that forced using clean green-screen like backgrounds at capture time, manual initialization, or switching to multiple cameras as input resource. In this work, we propose a learning based motion capture model for single camera input. Instead of optimizing mesh and skeleton parameters directly, our model optimizes neural network weights that predict 3D shape and skeleton configurations given a monocular RGB video. Our model is trained using a combination of strong supervision from synthetic data, and self-supervision from differentiable rendering of (a) skeletal keypoints, (b) dense 3D mesh motion, and (c) human-background segmentation, in an end-to-end framework. Empirically we show our model combines the best of both worlds of supervised learning and test-time optimization: supervised learning initializes the model parameters in the right regime, ensuring good pose and surface initialization at test time, without manual effort. Self-supervision by back-propagating through differentiable rendering allows (unsupervised) adaptation of the model to the test data, and offers much tighter fit than a pretrained fixed model. We show that the proposed model improves with experience and converges to low-error solutions where previous optimization methods fail.