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01.
arXiv (quant-ph) 2026-06-17

Engineering entanglement and transport in interacting quantum walks with tailored potentials

arXiv:2606.17825v1 Announce Type: new Abstract: Controlling the interplay between particle propagation and quantum correlation generation is a central challenge in quantum transport. Here, we investigate two distinguishable continuous-time quantum walkers evolving on parallel one-dimensional lattices, interacting via distance-dependent potentials. While on-site interactions reproduce the typical bosonic behaviour, extending the interaction to a linear potential over multiple neighbors introduces controlled Bloch-like oscillations and shifts the bound-pair regime to stronger couplings. More generally, we explore a Coulomb-like interaction parameterized by strength, spatial scaling, and decay rate. This reveals a rich phase diagram including four distinct dynamical regimes: (i) a high-entropy, oscillatory regime akin to a linear potential; (ii) a strongly localized, bound-pair regime; (iii) a novel intermediate regime combining near-ballistic spreading with strong correlations; and (iv) a weakly interacting, free-propagation regime. Notably, regime (iii) achieves concurrent optimization of transport efficiency and entanglement, offering a sweet spot for correlated quantum dynamics. Our results provide a tool for designing interaction-engineered quantum walks with potential applications in quantum information processing and simulations.

02.
arXiv (CS.CL) 2026-06-15

The Culture Funnel: You Can't Align What isn't in the Data

Current cultural alignment approaches focus on inference-time interventions, assuming models already contain sufficient cultural knowledge. We argue modern LLM pipelines suffer from a cultural data funnel. Using a multidimensional tagging framework across pretraining, fine-tuning, alignment, and reasoning datasets, we show explicit cultural signals decline sharply during post-training, while geographically concentrated, task-specialized data dominates. Multilinguality enhances geographic diversity of cultural knowledge but does not ensure balanced representation. Our tags improve downstream cultural benchmark performance, demonstrating that advances require shifting focus in training data pipelines. To facilitate future research, we release our culturally tagged dataset with 5.6M samples at https://huggingface.co/datasets/CohereLabs/CultureMarkers.

03.
PLOS Computational Biology 2026-06-11

Catecholamine precursor modulation of human exploration: Evidence from a large gender-balanced sample

by Angela Mariele Brands, Kilian Knauth, David Mathar, Tim Roedder, Kerstin Lisner, Jan Peters The catecholamine precursor Tyrosine has been linked to improved cognitive performance, but investigations into decision-making and reinforcement learning processes known to be under catecholamine control are sparse. We examined the impact of a single dose of Tyrosine (2g) on reinforcement learning and exploration in a large (n = 63) gender-balanced sample in a within-subjects preregistered study. Reinforcement learning performance was significantly improved under Tyrosine. Based on previous work, we preregistered the hypotheses that Tyrosine would reduce directed exploration, response times, and physiological arousal. However, neither response times nor physiological arousal revealed the predicted reductions. Computational modelling using an established pre-registered reinforcement learning model revealed that the performance improvement under Tyrosine was due to an increase value-driven exploitation, without affecting directed exploration. Non-preregistered modelling analyses then revealed that accounting for higher-order perseveration substantially improved model fit, and substantiated the observation of increased value-driven exploitation under Tyrosine. Furthermore, it revealed reliable reductions in directed exploration and value-independent perseveration under Tyrosine. Tyrosine thus improved reinforcement learning performance by stabilizing choice patterns in the service of optimizing reward accumulation, modulating several computational mechanisms thought to be under catecholamine control.

04.
arXiv (math.PR) 2026-06-16

A uniform-in-time weakly convergent explicit numerical method for the underdamped Langevin equation with polynomial potentials

Authors:

arXiv:2606.15175v1 Announce Type: cross Abstract: The underdamped Langevin equation is a fundamental model in statistical mechanics for sampling Gibbs measures and simulating molecular dynamics, for which numerical methods with uniform-in-time weak convergence are essential for accurately reproducing long-time statistical observables and invariant measures of the underlying dynamics. Currently, such uniform-in-time weak convergence is established for implicit schemes, but remains unknown for explicit ones under polynomially growing potentials. To improve efficiency in long-time simulations, we propose the first explicit numerical method for the underdamped Langevin equation with polynomially growing potentials that is proven to achieve uniform-in-time weak convergence. The explicit numerical method is constructed by introducing a dissipativity on the scalar auxiliary variable (SAV), which we call the DSAV method. The proposed DSAV method enables the approximation of the invariant measure for the underdamped Langevin equation with a precision of $\varepsilon$ at a significantly reduced computational cost of $\mathcal{O}(\varepsilon^{-1} \log(\varepsilon^{-1}))$. In addition, we establish the existence and positivity of the density function of the numerical solution without using the Malliavin calculus. Numerical experiments are performed to verify the theoretical findings and demonstrate the long-time stability of the proposed numerical method.

05.
arXiv (CS.CV) 2026-06-15

ViT-Up: Faithful Feature Upsampling for Vision Transformers

Vision Transformers (ViTs) have become a dominant architecture for visual representation learning, providing exceptionally strong and broadly reusable backbone features. However, ViTs are commonly operated on relatively small patch-token grids due to the quadratic cost of global self-attention, which creates a persistent bottleneck for dense prediction tasks such as semantic segmentation and depth estimation. This has motivated the development of task-agnostic feature upsamplers. While recent state-of-the-art methods produce visually sharp dense representations, their reliance on shallow image encoders for guided upsampling can introduce feature leakage, fragmentation, and blur. We introduce ViT-Up, an implicit feature upsampling framework that replaces external image guidance with layer-wise query construction from intermediate ViT hidden states. This enables feature prediction at arbitrary continuous image coordinates while preserving alignment with the backbone feature space. Experiments demonstrate that ViT-Up consistently outperforms state-of-the-art image-guided upsamplers across dense prediction and semantic correspondence. On DINOv3-S+, ViT-Up improves over prior methods by up to +2.07 mIoU on Cityscapes and +4.17 PCK@0.10 on SPair-71k. With the larger DINOv3-B backbone, these gains increase to +3.36 mIoU and +8.09 PCK@0.10, demonstrating that ViT-Up scales favorably with backbone capacity.

06.
arXiv (CS.AI) 2026-06-19

IHBench: Evaluating Post-Interruption Recovery in Voice Agents with Structured Workflows

arXiv:2606.19595v1 Announce Type: cross Abstract: Voice agents deployed in structured workflows (customer service, healthcare scheduling, account management) must handle frequent user interruptions while maintaining progress through multi-step procedures. Existing benchmarks for speech-capable models focus on the timing of interruptions: barge-in detection, endpointing, and turn-taking dynamics. They leave unmeasured what happens after the interruption: does the agent resume the workflow at the correct step? Does it address the user's interjection? Does it avoid re-delivering content the user already heard? We introduce IHBench (Interruption Handling Benchmark), a benchmark that evaluates post-interruption recovery in voice agents executing state-machine-driven workflows across 10 enterprise domains. Six interruption types are injected at controlled points mid-utterance, with per-interruption evaluation rubrics generated alongside the data. Each interruption is scored on two axes: task fulfillment and recovery quality. We evaluate 27 audio-language model configurations from OpenAI, Google, and the open-weight community. Models vary widely, and recovery quality depends strongly on the interruption type. Across our experiments, closed-weight models are consistently more robust to interruptions than open-weight ones: they win far more often on task fulfillment, degrade roughly 3.3x more slowly as conversations grow longer, and show no audio-versus-text modality gap, whereas the open-weight models lose ground on all three. A human study validates the LLM judge against human annotators, and a cross-benchmark analysis against AudioMultiChallenge indicates that recovery quality is a largely distinct capability axis.

07.
arXiv (CS.LG) 2026-06-17

MiniFool – Physics-Constraint-Aware Minimizer-Based Adversarial Attacks in Deep Neural Networks

arXiv:2511.01352v2 Announce Type: replace Abstract: In this paper, we present a new algorithm, MiniFool, that implements physics-inspired adversarial attacks for testing neural network-based classification tasks in particle and astroparticle physics. While we initially developed the algorithm for the search for astrophysical tau neutrinos with the IceCube Neutrino Observatory, we apply it to further data from other science domains, thus demonstrating its general applicability. Here, we apply the algorithm to the well-known MNIST data set and furthermore, to Open Data data from the CMS experiment at the Large Hadron Collider. The algorithm is based on minimizing a cost function that combines a $\chi^2$ based test-statistic with the deviation from the desired target score. The test statistic quantifies the probability of the perturbations applied to the data based on the experimental uncertainties. For our studied use cases, we find that the likelihood of a flipped classification differs for both the initially correctly and incorrectly classified events. When testing changes of the classifications as a function of an attack parameter that scales the experimental uncertainties, the robustness of the network decision can be quantified. Furthermore, this allows testing the robustness of the classification of unlabeled experimental data.

08.
arXiv (CS.AI) 2026-06-17

Multiple cyclicity and Wavelet Decomposition with Channel Correlation for Long-term Time Series Forecasting

arXiv:2606.17996v1 Announce Type: cross Abstract: Cyclicity and trend are important components of time series data and many studies based on cyclicity and trend have achieved good results in long-term time series forecasting. However, we believe that current work neglects the influence of real-world inter-channel correlations in time series data which leads to suboptimal predictions. Furthermore, these models rely on complex designs to capture diverse information so that resulting in low computational efficiency. To address this challenge, we propose McWC, a long-term time series forecasting model that separately models the cyclicity, trend, and inter-channel correlations. Specifically, McWC first decouples cyclical information from data using a multi-layer cyclicity construction module. Then, it extracts inter-channel correlations using multi-layer perceptron. Next, it models and fuses the multi-layer high-frequency and low-frequency information from data using a multi-level wavelet decomposition module. Finally, it aggregates the results of different components to obtain the output. Simultaneously, we decouple intra-channel autocorrelations by calculating a loss function in the frequency domain. Experiments on six real-world datasets demonstrate that McWC achieves state-of-the-art performance, exhibiting excellent computational efficiency and historical information extraction capabilities.

10.
arXiv (CS.AI) 2026-06-16

LiteOdyssey: A Lightweight Reasoning AI Agent for Interpretable Rare-Disease Diagnosis

arXiv:2606.16149v1 Announce Type: new Abstract: Most medical AI systems improve by scaling additional machinery: more fine-tuning data, more agents, and/or larger retrieval databases. In rare-disease diagnosis, however, such scaling can produce systems that are difficult to deploy, audit, and maintain. We asked whether state-of-the-art diagnostic performance could instead be achieved by extending the reasoning chain of a single AI agent: guiding it with a diagnostic policy, developed through human-AI collaboration and augmenting with freely available biomedical tools. We introduce LiteOdyssey, a lightweight rare-disease diagnostic framework that guides reasoning language model through a clinical genetics workflow. This framework was developed through Policy Iteration with Human Feedback (PIHF) and uses dynamic access to public biomedical tools. On two challenging benchmarks that provide only patient clinical features, LiteOdyssey achieved state-of-the-art performance, with an overall disease Recall@1 of 59.3% over the combined 1,243 cases of LIRICAL (n = 370) and the PhenoPacket Store (n = 873). Both benchmarks have a high proportion of ultra-rare disease (a prevalence below 1 in 1,000,000, with ultra-rare shares of approximately 45% and 52.8%, respectively). On the more difficult PhenoPacket subset, where causal diseases were not mapped to Orphanet in our rarity-mapping pipeline, LiteOdyssey achieved 60.7% Recall@1, compared with 10.7% for the same baseline model (GPT-5.4) without tools. This performance was achieved without fine-tuning, multi-agent ensembles, or a large case-retrieval database. Gains were also observed in the following: on cases never seen during development, on a private cohort of real-world rare disease patients, and on a smaller open-weights model. LiteOdyssey suggests a path toward rare-disease AI systems that are accurate, easier to deploy, and more transparent for physician review.

11.
medRxiv (Medicine) 2026-06-15

Diabetes and the Life-Course: Evidence from Panel Data and Electronic Health Records

Incidence of type 2 diabetes is increasing at ages when education, work, family, and financial transitions are taking place, yet we lack robust evidence of whether earlier treatment changes life-course outcomes and over which time span this takes place. This paper uses the medical cutoff for diabetes diagnosis (HbA1c of 6.5 percent) as a natural experiment to study the effects of diabetes treatment using electronic health records (EHR) and panel data. This paper has three main findings. First, using EHR data, we find that there is a sharp increase in the probability of both diagnosis of diabetes and prescription when the HbA1c equals 6.5 percent. Second, we find that treating diabetes reduces HbA1c levels, weight, BMI, and blood pressure and increases the amount of care received, proxied by the number of HbA1c tests. Both the diagnosis and a prescription are independently able to produce positive changes in metabolic health, although a prescription is more effective in this regard. Third, we conclude that treating diabetes does not have a significant effect on life-course outcomes for a cohort of young Americans aged 24-32, although it does result in a reduction in HbA1c levels that are seen even eight years after the intervention. Taken together, these findings suggest that receiving a diagnosis and prescription are both effective treatments for diabetes, but they do not translate to significant alterations in the lives of young adults in the medium-term.

12.
arXiv (quant-ph) 2026-06-15

The Bilateral Efficiency of Ethernet: Recalibrating Metcalfe and Boggs After Fifty Years

Authors:

arXiv:2603.19406v2 Announce Type: replace-cross Abstract: In July 1976, Metcalfe and Boggs published their foundational paper on Ethernet in Communications of the ACM. Their efficiency model – E = (P/C)/(P/C + W*T) – measures the fraction of Ether time carrying good forward packets under contention. For fifty years this model has framed how the community thinks about Ethernet performance. We argue it is silent on the question that matters for modern intra-rack interconnect: bilateral transaction efficiency – the fraction of link time that produces committed agreements between sender and receiver. Metcalfe and Boggs themselves planted the seed in their EFTP "end-dally" protocol (Section 7.2.2), and the deeper anchor is older still: Abramson's Alohanet carried positive acknowledgments at the link layer – a bilateral mechanism Metcalfe consciously removed in 1973 to obtain Ethernet's simple, ACK-free packet format. The result is a fifty-year bilateral zigzag: Aloha (bilateral) to Ethernet (unilateral) to the EFTP end-dally (bilateral) to TCP (unilateral-with-bilateral-above). We formalize bilateral efficiency, connect it to the back-to-back Shannon channel with Perfect Information Feedback, and – scoping the claim explicitly to intra-rack distances of one meter or less – describe how the Open Aethernet link recovers mutual knowledge at the link layer. The correction to Table 1 is not a different set of numbers. It is a different question.

14.
arXiv (quant-ph) 2026-06-11

Optimizing Encoder Circuits of Entanglement-Assisted Quantum LDPC Codes via Beam Search

arXiv:2606.11468v1 Announce Type: new Abstract: Entanglement-assisted (EA) quantum QC-LDPC codes offer strong error-correction capabilities with structured parity-check matrices, but their practical use depends on efficient encoder circuits and the availability of pre-shared Bell pairs (ebits). In all encoder implementations based on the stabilizer formalism, the dominant contribution to this complexity comes from the use of controlled gates. In this paper, we adopt the Sharma-Kumar-Garani (SKG) encoder construction. We formulate the encoder optimization as a search over GF(2) row operations that decompose the binary matrix derived from its CNOT sub-sequence. We solve this problem using a beam search algorithm guided by a Hamming-distance heuristic. For the tested EA quantum QC-LDPC code families, the proposed method achieves CNOT-count reductions of 7.3-34.0% relative to the SKG baseline encoder. The optimized circuits also yield lower CNOT counts than Patel-Markov-Hayes synthesis on all tested instances and are verified by stabilizer-tableau simulation. These results show that substantial encoder simplification is possible for structured EA QC-LDPC codes.

15.
arXiv (CS.AI) 2026-06-12

Beyond Problem Solving: UOJ-Bench for Evaluating Code Generation, Hacking, and Repair in Competitive Programming

arXiv:2606.12864v1 Announce Type: cross Abstract: Despite strong performance in competitive programming, the role of Large Language Models (LLMs) in supporting human learning in the same setting remains largely unexplored. In this work, we introduce UOJ-Bench, a benchmark designed to evaluate not only the problem-solving ability of LLMs, but also their ability to identify errors in human-written code – a crucial educational activity traditionally supported by running test cases over online judge systems. UOJ-Bench consists of three distinct tasks: code generation, code hacking, and code repair, all constructed from real-world code submissions on the Universal Online Judge (UOJ) and evaluated through UOJ's native judging infrastructure. Our results show that under one-shot evaluation, even the strongest models fail to identify errors in more than 50% of a set of submissions that have been found to be incorrect by UOJ users. While test-time scaling improves success rates to above 90%, the substantial computational costs incurred from model inference limit its practicality for large-scale deployment. Despite these limitations, we find that the best-performing models under test-time scaling can uncover errors in over 5% of full-score submissions across roughly 30 problems, suggesting that frontier LLMs can already provide complementary signals beyond standard judging systems.

16.
arXiv (CS.AI) 2026-06-19

Hidden Anchors in Multi-Agent LLM Deliberation

arXiv:2606.19494v1 Announce Type: new Abstract: Multi-agent LLM deliberation, where agents exchange and revise answers over several rounds, is increasingly used to improve reasoning and accuracy, yet how and why it works is rarely modelled. Such deliberation mirrors how humans reach decisions. As social animals we are pulled both by the group, the herd effect that classical opinion-dynamics models such as DeGroot and Friedkin–Johnsen capture, and by our own internal belief, which they do not. We model multi-agent deliberation as a closed-loop dynamical system in which each agent carries a hidden internal belief, its anchor, that continually pulls its opinion regardless of its neighbours. We show this anchor can be recovered from the deliberation alone, and that it explains a behaviour classical consensus rules forbid: an agent's confidence in the correct answer can climb past where any agent started, escaping the space (convexhull) formed by the initial beliefs. Checking whether the recovered anchor also predicts held-out runs (generalizes) gives a simple test for when a model is truly driven bysuch an anchor. Across three open-weight model families this is a spectrum, not all-or-nothing. All anchors' influence are about equally strongly, but they differ in where the anchor sits, and only when it sits far from the initial opinions does deliberation escape the hull and need the full closed-loop model.

17.
arXiv (CS.AI) 2026-06-15

Formalizing Numerical Analysis: An Agent Pipeline and Quality Audit Beyond Kernel Acceptance

arXiv:2606.14000v1 Announce Type: new Abstract: Recent work has demonstrated that coding agents can formalize entire advanced mathematics textbooks in Lean 4, yet existing efforts concentrate on branches of mathematics already well-represented in mathlib and measure success solely through kernel acceptance. We address both limitations by applying a coding agent to formalize Numerical Methods for Ordinary Differential Equations, a textbook in numerical analysis that is largely absent from mathlib, stressing the agent's capacity to develop new theory from scratch. We further introduce a systematic, reproducible three-dimensional framework for evaluating the quality of agent-produced formalizations beyond compilation: semantic correctness, Mathlib reuse, and cross-file reuse via LLM-as-judge methods. Applying this framework to our own formalization and to the released outputs of RepoProver and M2F, we uncover recurring unfaithful formalization patterns, including incomplete multi-part statements, added weakening hypotheses, and parameter restrictions, that kernel acceptance entirely obscures. Our results suggest that compilation-based metrics substantially overstate formalization quality, and we provide a reproducible audit methodology to support more rigorous evaluation of future autoformalization systems.

18.
arXiv (quant-ph) 2026-06-11

High-efficiency telecom conversion of heralded atomic biphoton wavepackets

arXiv:2603.09824v2 Announce Type: replace Abstract: We demonstrate high-efficiency telecom frequency conversion of heralded atomic biphoton wavepackets using a diamond-type atomic ensemble. By placing a 2.5 MHz heralded-photon spectrum within the high-efficiency region of the converter response, we achieve a conversion efficiency of 79.4(2.6)% while maintaining strong time-resolved correlations and well-defined temporal wavepackets. For a broader 17.4 MHz input bandwidth, the conversion efficiency is reduced to about 55%, whereas the temporal waveform remains largely preserved. This behavior reflects the nearly flat central response of the converter, which mainly causes spectral-edge loss rather than temporal-mode distortion. These results identify spectral matching as an effective route to efficient and low-distortion telecom conversion of narrowband quantum light from atomic systems.

19.
arXiv (CS.LG) 2026-06-11

Understanding Sample Efficiency in Predictive Coding

arXiv:2605.11911v2 Announce Type: replace Abstract: Predictive Coding (PC) is an influential account of cortical learning. Much of recent work has focused on comparing PC to Backpropagation (BP) to find whether PC offers any advantages. Small scale experiments show that PC enables learning that is more sample efficient and effective in many contexts, though a thorough theoretical understanding of the phenomena remains elusive. To address this, we quantify the efficiency of learning in BP and PC through a metric called ``target alignment'', which measures how closely the change in the output of the network is aligned to the output prediction error. We then derive and empirically validate analytical expressions for target alignment in Deep Linear Networks. We show that learning in PC is more efficient than BP, which is especially pronounced in deep, narrow and pre-trained networks. We also derive exact conditions for guaranteed optimal target alignment in PC and validate our findings through experiments. We study full training trajectories of linear and non-linear models, and find the predicted benefits of PC persist in practice even when some assumptions are violated. Overall, this work provides a mechanistic understanding of the higher learning efficiency observed for PC over BP in previous works, and can guide how PC should be parametrised to learn most effectively.

20.
bioRxiv (Bioinfo) 2026-06-19

Tox21mer, A transformer foundation model for Tox21 high-throughput concentration-response curves data

The U.S. Tox21 collaboration has generated a large reference library of high-throughput concentration-response assays. Here we present Tox21mer, a 43.5-million-parameter transformer that encodes each Tox21 concentration-response curve together with assay metadata into a 768-dimensional representation. Tox21mer was pretrained on ~2.5 million curves from 102 assay protocols and 6,727 compounds using masked-response reconstruction as the primary objective, with low-weight auxiliary supervision on assay outcome and AC50. To evaluate the learned representation, we trained lightweight probes on frozen embeddings from concentration-response curves of held-out compounds. The representation supported a macro-F1 of 0.985 for three-class outcome prediction (agonist, antagonist, inactive), a binary F1 of 0.994 for active/inactive prediction, and an R2 of 0.87 for log10(AC50). The learned embeddings formed coherent groupings by curve-class category. A masked-only pretraining variant retained near-baseline probe performance, indicating that the representation is learned largely from the self-supervised objective rather than from auxiliary labels. Ablation analyses further showed that predictive performance depends mainly on curve-level response-value distributions conditioned on assay context, with limited reliance on detailed within-curve ordering. Tox21mer thus provides a reusable foundation representation for Tox21 concentration-response data that can support extrapolation to untested compounds through integration with chemical features or distillation into chemistry-only student models for large-scale external screening.

21.
arXiv (CS.CL) 2026-06-19

DeepSeek-V4: Towards Highly Efficient Million-Token Context Intelligence

We present a preview version of DeepSeek-V4 series, including two strong Mixture-of-Experts (MoE) language models – DeepSeek-V4-Pro with 1.6T parameters (49B activated) and DeepSeek-V4-Flash with 284B parameters (13B activated) – both supporting a context length of one million tokens. DeepSeek-V4 series incorporate several key upgrades in architecture and optimization: (1) a hybrid attention architecture that combines Compressed Sparse Attention (CSA) and Heavily Compressed Attention (HCA) to improve long-context efficiency; (2) Manifold-Constrained Hyper-Connections (mHC) that enhance conventional residual connections; (3) and the Muon optimizer for faster convergence and greater training stability. We pre-train both models on more than 32T diverse and high-quality tokens, followed by a comprehensive post-training pipeline that unlocks and further enhances their capabilities. DeepSeek-V4-Pro-Max, the maximum reasoning effort mode of DeepSeek-V4-Pro, redefines the state-of-the-art for open models, outperforming its predecessors in core tasks. Meanwhile, DeepSeek-V4 series are highly efficient in long-context scenarios. In the one-million-token context setting, DeepSeek-V4-Pro requires only 27% of single-token inference FLOPs and 10% of KV cache compared with DeepSeek-V3.2. This enables us to routinely support one-million-token contexts, thereby making long-horizon tasks and further test-time scaling more feasible. The model checkpoints are available at https://huggingface.co/collections/deepseek-ai/deepseek-v4.

22.
arXiv (CS.AI) 2026-06-12

MLUBench: A Benchmark for Lifelong Unlearning Evaluation in MLLMs

arXiv:2606.12809v1 Announce Type: new Abstract: Multimodal large language models (MLLMs) are trained on massive multimodal data, making data unlearning increasingly important as data owners may request the removal of specific content. In practice, these requests often arrive sequentially over time, giving rise to the challenging problem of MLLM Lifelong Unlearning. However, most existing benchmarks are limited in scale and scope, failing to capture the complexities of MLLM lifelong unlearning. To fill this gap, we introduce the MLUBench, a large-scale and comprehensive benchmark featuring 127 entities across 9 classes under lifelong unlearning requests. We perform extensive experiments using MLUBench and reveal that existing unlearning methods suffer from severe, cumulative degradation. More critically, we further identify the unique challenge of this problem: unlike in unimodal models, MLLM lifelong unlearning is constrained by the need to preserve multimodal alignment. Continually unlearning from one modality could degrade the entire model. To alleviate this challenge, we propose LUMoE, an effective method. Experiments demonstrate that LUMoE significantly mitigates the degradation problem faced by baselines. The source code and the MLUBench dataset are open-sourced in https://github.com/lihe-maxsize/Lifelong_Unlearning_main.

23.
arXiv (CS.LG) 2026-06-12

Variational Graph Neural Networks for Uncertainty Quantification in Inverse Problems

arXiv:2603.29515v2 Announce Type: replace Abstract: The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such as Digital Twins for engineering or medicine, fast responses are not enough; reliable results must also be provided. In certain cases, traditional deterministic methods may not be optimal as they do not provide a measure of confidence in their predictions or results, especially in inverse problems where the solution may not be unique or the initial data may not be entirely reliable due to the presence of noise, for instance. Classic deep neural networks also lack a clear measure to quantify the uncertainty of their predictions. In this work, we present a variational graph neural network (VGNN) architecture that integrates variational layers into its architecture to model the probability distribution of weights. Unlike computationally expensive full Bayesian networks, our approach strategically introduces variational layers exclusively in the decoder, allowing us to estimate cognitive uncertainty and statistical uncertainty at a relatively lower cost. In this work, we validate the proposed methodology in two cases of solid mechanics: the identification of the value of the elastic modulus with nonlinear distribution in a 2D elastic problem and the location and quantification of the loads applied to a 3D hyperelastic beam, in both cases using only the displacement field of each test as input data. The results show that the model not only recovers the physical parameters with high precision, but also provides confidence intervals consistent with the physics of the problem, as well as being able to locate the position of the applied load and estimate its value, giving a confidence interval for that experiment.

24.
arXiv (CS.LG) 2026-06-18

Contextualizing Biological Language Models across Modalities via Logit-Space Contrastive Alignment

arXiv:2606.18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation. Yet these distributions are learned from broad unlabeled corpora and are not naturally conditioned on task-specific biological contexts such as interaction partners, cellular environments, or therapeutic interventions. Existing contextual matching methods often distort this interface through pooled embeddings, contrastive latent spaces, or task-specific prediction heads. We introduce LOGICA (Logit-space Contrastive Alignment), a framework for context-conditioned prediction that performs contrastive learning directly in output-logit space. Using gated cross-modal adapters compatible with each model's native token head, LOGICA preserves the pretrained likelihood interface and converts contextualized token log-likelihoods into matching scores. Alignment is defined through context-sensitive token probabilities rather than proximity in a shared embedding space, enabling learning from sparse paired data across models with distinct vocabularies, without a shared tokenizer or decoder. LOGICA is particularly effective for mutation-local variant ranking, where comparisons reduce to context-conditioned likelihoods of mutant tokens at perturbed sites. Across protein–ligand binding, TCR–peptide activity, and drug-conditioned resistance prediction, LOGICA improves over prior state-of-the-art methods, including matched latent-contrastive and conditional MLM baselines, while retaining a token-level interface for interpretation and generation. On held-out-gene single-mutation drug-resistance prediction, LOGICA improves AUC from near-random latent-space baselines of $\sim$0.55 to $\sim$0.65.

25.
arXiv (CS.AI) 2026-06-18

TxBench-PP: Analyzing AI Agent Performance on Small-Molecule Preclinical Pharmacology

arXiv:2606.19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions. We introduce TherapeuticsBench Preclinical Pharmacology (TxBench-PP), a verifiable benchmark for small-molecule preclinical pharmacology and the first focused slice of a broader TherapeuticsBench effort across drug-discovery stages and therapeutic modalities. TxBench-PP tests whether agents can recover accurate conclusions from real-world assay data rather than memorized facts from literature. The benchmark contains 100 evaluations indexed by program stage, assay type, and task structure, spanning mechanism-of-action (MoA) and pharmacodynamic (PD) reasoning, compound-target engagement, causal target validation, developability and safety, and translational efficacy. Agents receive realistic workflow snapshots, inspect files in a coding environment, and return structured answers graded deterministically. Across 16 model-harness configurations, comprising 11 models and 4,800 trajectories, no system reliably recovered preclinical pharmacology decisions. The strongest configuration, Claude Opus 4.8 / Pi, passed 59.3\% of endpoint attempts (178/300; 95\% CI, 51.1-67.6), followed by GPT-5.5 / Pi at 55.3\% (166/300; 47.0-63.6).