Papers

Privacy is an important challenge when users interact with AI chatbots, since users may share sensitive information, explicitly or implicitly, and AI chatbots can use this information for user profiling. In this paper, we aim to protect user privacy via a user-side mechanism that transforms sensitive information in a user prompt, while preserving enough information to elicit a useful response from the chatbot. This approach faces an inherent tradeoff between protecting privacy (i.e., avoiding profiling) and preserving utility (i.e., getting personalized and task-specific responses). To that end, we consider, evaluate, and compare four different obfuscation actions, namely redaction, abstraction, replacement, and a novel noising/denoising scheme that we introduce. Additional novel insights include: utilizing a data type taxonomy to both identify and obfuscate sensitive information and explicitly taking into account the utility of chat responses in making the obfuscation decision. First, we systematically optimize and evaluate each obfuscation action independently in terms of the privacy-utility tradeoff it achieves. Second, we propose PROMPTPET, an LLM-based agent that selects the best obfuscation action for each sensitive part of the prompt, using a reinforcement-learning inspired rule optimizer, applied for the first time in this context. Using a real-world chat dataset, we show that PROMPTPET matches the best privacy-utility tradeoff attainable by any single obfuscation action and significantly outperforms prior state-of-the-art approaches.

Cold-start drug-drug interaction (DDI) prediction for new drugs is critical for minimizing unexpected adverse drug reactions. The key challenge is to capture similarity between new and known drugs. However, such similarity is closely associated with complex relationships and mechanisms among drugs, enzymes, transporters, molecular structures, and other biomedical entities. Existing methods have three limitations in capturing such similarity: (1) only partial relationships and mechanisms are considered, which overlooks cross-modal information and yields incomplete or biased similarity modeling; (2) similarity computation between new and known drugs is conducted separately across modalities and performed offline for cold-start DDI prediction, leading to misalignment between similarity computation and DDI prediction; and (3) existing interpretability analyses are typically single-modality and focus primarily on key determinants of the perpetrator drug, while the underlying causes of susceptibility for the victim drug are seldom investigated. To address these issues, this paper proposes a novel Cross-Modal-Fused End-to-End Learning Network (CMF-ELN) with three components. First, diverse multimodal information is leveraged to construct four types of drug-centered knowledge graphs, enabling comprehensive similarity modeling under reconstruction-based supervision. Second, a four-channel graph autoencoder is designed to fuse cross-modal similarity within an end-to-end learning framework. Finally, a two-stage interpretability scheme is devised to precisely localize key factors for both perpetrator and victim drugs. Extensive experiments on two real datasets demonstrate that CMF-ELN achieves significantly higher prediction accuracy and more comprehensive interpretability of mechanisms than its peers.

The ability to efficiently navigate high-dimensional spaces to identify optimal candidates-whether designing targeted molecular structures or generating images with preferred attributes-stands as a central pillar of modern scientific progress. Recent tree-based samplers enable highly scalable inference-time search by eliminating the reward-gradient bottleneck inherent to particle-based methods. Despite their potential, existing tree-based samplers are fundamentally constrained by the massive number of function evaluations (NFEs) required for node valuation, crippling their utility in exploration-heavy tasks. Furthermore, their reliance on small, uniform transitions at each depth precludes dynamic, adaptive search capabilities. To address this, we introduce Bootstrap Flow-Map-Tree (a.k.a BFMT), a computationally efficient sampling framework that enables full tree-path construction from any tree depth using a single function evaluation, drastically reducing computational overhead while providing critical foresight for sequential sampling. By enabling dynamic transition time-step scheduling, BFMT efficiently allocates its sampling budget, smoothly transitioning from broad global exploration to fine-grained local refinement of high-utility modes discovered through exploration. Extensive experiments and ablation studies across diverse domains-from high-dimensional images to large-scale molecules-demonstrate BFMT's superiority over baseline approaches in both search and alignment tasks.

We ask whether interaction is necessary for order-optimal 1-bit mean estimation over nonparametric finite-moment classes. Adaptive threshold-query protocols achieve the order-optimal 1-bit minimax rate, and the same rate is attainable with general 1-bit queries using only one adaptive transition (i.e., two stages of querying). In the non-adaptive setting, threshold and interval queries are known to be highly suboptimal, but the case of arbitrary non-adaptive quantizers remains unresolved. Can such quantizers match the adaptive rate, yielding an optimal one-shot protocol? Or is the known two-stage estimator stage-optimal, with a single adaptive transition being necessary and sufficient?

Learning-based approaches for selectivity estimation in databases have gained significant traction in recent years. However, theoretical studies of these learning-based approaches are essentially limited to fixed query distributions on static databases. In practice, both the underlying database and the query workload can dynamically change over time. In this work, we propose an algorithmic framework for learning selectivity of queries in this more general dynamic setup. Inspired by online learning, we measure the performance of the learning algorithm in this setting by its regret, which compares the cumulative loss incurred by the learning algorithm to that of the best fixed strategy. We establish upper and lower bounds on regret for histogram-based linear queries, such as point, range, and subset selection queries, under standard loss functions, in both static and dynamic database settings.

Low-bit quantization shrinks language models but treats precision as a single global hyper-parameter: every weight uses the same bit-width. We introduce Variable Bit-width Quantization (VBQ), a training-time method in which each contiguous group of 64 weights learns its own resolution from {1,2,4,8} bits via a Gumbel-Softmax relaxation, trained jointly by an alternating optimization that gives the precision logits a clean, task-aligned signal. VBQ discovers a consistent, strongly heterogeneous allocation within individual projection types, not merely across layers, impossible to express with per-layer methods: 69% of groups collapse to 1 bit, the LM head averages 1.09 bits, while the first MLP block keeps ~2.5 bits. This pattern is stable enough to freeze into a fixed recipe and reuse without further search. The recipe yields a "bigger-but-smaller" regime: a 131M model at 1.82 mean bits reaches perplexity 4.2 on TinyStories, beating a 55M FP16 model (PPL 4.4) at 3.8x less storage, and lets a 1.46B model on FineWeb-Edu match a 593M FP16 control at ~3.7x less storage with 2.5x more parameters. As quality-per-byte, VBQ is 3.9-8.4x more efficient than FP16. The recipe maps directly to packed low-bit storage, so it also accelerates inference: with custom fused dequantize-and-multiply kernels, memory-bandwidth-bound autoregressive decode is faster at equal output, and the speedup grows with scale (parity at 131M, 1.9x at 1.0B, 4.7x at 9B on Apple silicon). A distributional analysis (KL divergence and argmax-flip rate) reveals a striking mechanism: deeper layers progressively self-heal the quantization error injected by early layers. The win is a from-scratch, train-time phenomenon; scaling the search economically beyond 1.5B parameters remains open. VBQ reframes precision as a learnable, non-uniform resource and shows that spending a fixed bit budget unevenly beats spending it uniformly.

Many online decision-making problems involve both round-specific feasible actions and drifting reward models: eligible ad impressions, feasible prices, and available treatments can change over time, while user preferences, demand curves, and patient responses may evolve. Motivated by these applications, we study non-stationary linear bandits with round-specific feasible decision sets. Existing methods that obtain the optimal \(\widetilde O(T^{2/3}P_T^{1/3})\) dependence, where \(P_T\) is the path length of the reward-parameter sequence, impose an orthogonal-structure assumption on round-specific decision sets, which can be restrictive in contextual applications. We address this gap through a unified misspecification-reduction viewpoint: after partitioning the horizon into blocks, we relate each block's dynamic regret to regret against a fixed-parameter linear bandit benchmark, with the within-block parameter drift entering as bounded misspecification. Restarting algorithms with misspecification-dependent regret guarantees then yields the optimal \(T^{2/3}P_T^{1/3}\) dynamic-regret dependence for both linear bandits with general compact decision sets and \(K\)-armed contextual linear bandits.

Deploying AI-generated video detectors in real-world services demands an ultra-low false positive rate (FPR) on real videos to avoid falsely rejecting authentic content, a regime where standard metrics such as AUROC fail to reflect actual operating behavior. We introduce Spatial Patch-Level Incoherence and Temporal Roughness (SPLIT), a training-free detector that operates on patch tokens from a frozen vision encoder to detect both fully generated and partially edited videos. SPLIT computes two complementary signals: Two-step Temporal Roughness (TTR), capturing non-smooth patch trajectories via one-step and two-step feature variation contrast, and Local Spatial Motion Incoherence (LSMI), measuring spatially inconsistent temporal changes through gradients of a feature-space motion field. The two are fused multiplicatively with gamma correction to sharpen real-fake separation at strict thresholds. We further propose a service-aligned evaluation protocol based on Fake Recall at fixed FPR with real-only threshold calibration and cross-real threshold transfer. Across three benchmarks (FakeParts, GenVideo, and ViF-Bench), SPLIT achieves the highest Fake Recall at FPR = $0.1\%$, substantially outperforming supervised and training-free baselines while remaining robust to post-processing with negligible overhead. The code is publicly available at https://github.com/mldljyh/SPLIT .

Dynamic knowledge graphs are ubiquitous in today's AI applications, as we represent molecular structures, social relationships, and language information using these graph models. As knowledge graphs evolve over time and are often noisy and incomplete, modeling their temporal and relational dependencies becomes crucial for downstream tasks. To address these challenges, this paper proposes PGRE (Poisson-Gamma Relational Evolution), a probabilistic model for modeling inter-relational dependencies in dynamic knowledge graphs. PGRE represents multi-relational temporal links via a Poisson-Bernoulli formulation. It introduces Gamma-distributed latent variables to capture entity-factor associations and cross-relation dependencies mediated by shared latent communities. A Gamma Markov process further models the temporal evolution of these latent variables, enabling principled characterization of relational dynamics. Experiments on benchmark datasets show that PGRE achieves competitive performance in link prediction, particularly in sparse settings, while revealing meaningful relational evolution patterns in dynamic knowledge graphs.

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising paradigm for improving mathematical reasoning in language models. Yet most RLVR work rewards only the final answer (outcome-based rewards), leaving the impact of step-level process supervision (process rewards) underexplored especially for small models that lack the capacity to self-correct under sparse feedback. We systematically compare five reward conditions applied to Qwen2.5-0.5B fine-tuned with Group Relative Policy Optimization (GRPO) on GSM8K: a no-RL baseline, process-only, outcome-only, and three hybrid weightings ($\lambda \in \{0.9, 0.5, 0.1\}$ process weight). Process-only supervision achieves 63.73% test accuracy versus 53.75% for outcome-only, a nearly 10-percentage point gap while yielding reasoning traces with higher step validity and lower deviation from ground-truth chain length. Hybrid rewards generally correlate positively with process weight, with one notable anomaly: the low-process / high-outcome configuration ($\lambda=0.1$) underperforms pure outcome supervision, suggesting conflicting optimization signals. Error analysis using GPT-4o as a judge reveals distinct failure mode distributions: process models generate structurally inconsistent but arithmetically grounded traces, while outcome models produce concise but derivation-error-prone chains. Our results demonstrate that reward granularity is a first-order design decision for RLVR, with process-level supervision substantially improving both accuracy and trace fidelity in small language models.

Reinforcement Learning (RL) has emerged as a powerful approach in financial trading, enabling agents to learn optimal strategies through direct market interaction. However, financial markets are highly uncertain, with price fluctuations driven by stochastic volatility, model limitations, and regime shifts. Traditional RL models struggle in dynamic environments, often failing to adapt to sudden market disruptions, leading to suboptimal trading decisions. To address this challenge, we propose an uncertainty-aware RL framework that integrates distributional, epistemic, and aleatoric uncertainty estimations. Our approach enhances uncertainty estimation using SHAP-weighted reconstruction uncertainty, MC Dropout, and an LSTM-based technical indicator consensus mechanism. Experimental results on five major U.S. stock indices demonstrate that RL agents equipped with uncertainty estimation significantly outperform traditional models in return and risk management. This study advances uncertainty estimation in RL-based financial trading, with future research extending its application to other asset classes and alternative RL architectures for greater adaptability.

Before fixing an issue, it is useful to first reproduce it by generating a bug reproduction test (BRT). However, generating a BRT is itself a challenging task, because issue descriptions tend to be informal, making it difficult to determine whether a candidate BRT indeed fails for the reason in the issue. Prior work has attempted to tackle this problem via inference scaling, using large language models to generate many BRTs and patches, then using execution feedback to select and improve them. Unfortunately, this is expensive and the feedback is unreliable. This paper explores evolutionary programming for BRT generation to sharpen the feedback, while enhancing evolutionary programming to keep costs in check. Our new approach, EvoOtter, controls test execution costs via successive halving. Furthermore, it controls LLM costs via batched crossover for an entire generation in a single LLM call, as well as via rule-based code mutations, with a new fitness score tailored for BRTs. As a result, EvoOtter generates state-of-the-art quality BRTs at the fraction of the cost of prior inference-scaling approaches to this problem. More broadly, this paper points at how to efficiently and effectively combine evolutionary programming with large language models for software engineering.

Meta-learning without labeled data is crucial for real-world applications, where obtaining labeled datasets can be expensive or restricted due to privacy concerns. Data-Free Meta-Learning (DFML) addresses this challenge by leveraging pre-trained models without access to training data. However, existing DFML methods rely on model inversion to generate training data, a process that is generally difficult and computationally expensive due to the need to generate high-dimensional data matching the original distribution. To address this limitation, we propose a novel meta-learning setting that avoids model inversion by jointly leveraging pre-trained models and unlabeled data. Our method generates meta-training tasks by assigning soft labels from pre-trained models to unlabeled data. Since the quality of these tasks can vary, we introduce a task-weighting mechanism based on task confidence and class distribution balance to ensure effective meta-learning. Extensive experiments demonstrate that our approach substantially reduces computational cost and improves generalization, achieving up to 104-fold speedup and 8.4 percent to 36.4 percent improvements in few-shot classification accuracy compared to state-of-the-art DFML methods.

Molecular optimization often starts from a pretrained generative model that captures a broad prior over valid molecular structures. At test time, however, the goal is not to sample from this prior, but to use a limited oracle budget to shift generation toward task-specific high-reward molecules. We study this adaptation problem for discrete diffusion models. Each online round couples several choices. The loop must decide which candidates to evaluate, how rewards become model updates, which feedback to reuse, and how far to move beyond the pretrained prior. These choices have mostly been studied in isolation, leaving open whether they complement one another, become redundant, or interfere inside a full online adaptation loop. We conduct controlled studies across six small-molecule binding-affinity tasks and three protein-fitness tasks. We find that acquisition, reward shaping, and model debiasing provide complementary routes to higher reward, especially for small molecules. Replay further stabilizes learning, while validity penalties keep small-molecule exploration on the valid molecular manifold. Together, these findings point to a practical recipe for feedback-efficient molecular optimization: online fine-tuning with acquisition, reward shaping, debiasing, replay, and validity control. This recipe outperforms offline fine-tuning and inference-time search baselines under matched oracle-call budgets and GPU-hour accounting. The gains are largest when high-reward candidates require larger shifts from the pretrained prior.

Reference-free quality predictors such as UTMOS, DNSMOS and SCOREQ are the de facto automatic evaluators for text-to-speech (TTS) and are increasingly adopted as reward signals for preference optimization. Both roles presuppose that the predicted score tracks human preference. In this work, we test this assumption across six human-rated corpora spanning the quality range from artifact-rich to defect-free TTS, evaluating each predictor on a pairwise task that asks whether the clip it scores higher is the clip listeners prefer, and we subject interpretable prosodic and signal-processing features to the same protocol. When one clip carries audible defects the predictors tend to agree with listeners. Once both clips are clean, no single predictor reliably identifies the preferred sample, and several fall below the accuracy of simply picking the longest-duration clip. A calibrated composite of complementary signals is the strongest evaluator we test, though on the cleanest audio it recovers only part of the gap to the human ceiling. Additionally, using even an equal-weighted ensemble of metrics helps as a post-training reward, where no calibration data is available. Optimizing a single score with policy optimization induces reward hacking, driving the metric toward its optimum while independent held-out judges and a human listening test deteriorate. The composite reward resists this behavior and tends to improve the model. Our contribution is the evaluation protocol, the predictor scores across these corpora, and the diagnosis of when and why single scores fail.

Energy supply and heat dissipation are two of the main challenges with modern GPU deployments. While typically discussed in the context of new datacenter constructions, the same constraints also apply to small form-factor consumer devices, such as the DGX spark. In workloads characterized by alternating compute-intensive tasks such as matmuls with memory-bound operations such as norms or cross-entropy, the compute-intensive parts might hit power and/or thermal limits and start throttling. In this short paper, we show that chunking the workload into smaller parts that alternate compute and memory in higher frequencies, these power and temperature spikes can be smoothed out, preventing throttling and resulting in considerably faster wall-clock time and reduced total energy consumption. We present several scenarios in which this effect can be exploited on a DGX Spark with up to 2% performance and energy improvements, and demonstrate that the same phenomenon also happens on less constrained systems, such as a multi-GPU server, albeit at significantly reduced effect size of 1-2%.

Large-scale public events, such as religious festivals, political rallies, and cultural gatherings, are increasingly vulnerable to the rapid dissemination of misinformation, posing substantial risks to public safety and social cohesion. While automated fake news detection has seen significant methodological progress, existing benchmarks frequently fail to capture the socio-cultural nuances and event-specific dynamics characteristic of the Indian context. This paper introduces BharatGather, a curated, multi-source dataset specifically engineered for binary misinformation classification within the ecosystem of Indian mass gatherings. The corpus comprises 14,646 records constructed through a hybrid pipeline involving systematic web scraping of prominent fact-checking platforms, multimedia transcript extraction, and Large Language Model (LLM)-mediated synthetic augmentation to ensure narrative diversity. By providing a resource tailored to the unique complexities of event-aware misinformation in India, this work facilitates the development of culturally informed detection systems and establishes a rigorous benchmark for evaluating their performance in high-stakes public environments.

In the literate human brain, reading and writing doubly dissociate: a ventral decoding route (pure alexia) and a fronto-parietal encoding route (pure agraphia), sharing a partial orthographic core. A decoder-only large language model (LLM) drives both from one autoregressive path optimized on text (a cultural invention, not an evolved instinct). We ask how entangled it is, comparing an input-side “reading code” $\mathbf{W}_{E}$ with an output-side “writing code” $\mathbf{W}_{U}$ via an index $\mathcal{E}\in[0,1]$ (CKA, Procrustes residual, mutual $k$-NN) calibrated against an independent-init floor and tied ceiling. On GPT-2, OPT and Pythia (14M–1.4B), untied models hold one coupled but sub-ceiling code ($\mathcal{E}=0.23$–$0.35$, far above floor) on a non-monotonic couple-then-differentiate trajectory, $\mathbf{W}_{U}$ drifting $\sim$3.2$\times$ farther than $\mathbf{W}_{E}$ in every decile. Equally informative is a negative: the matching behavioural test, that comprehension and production fail together rather than dissociate, cannot be run. For minimal pairs the alexia analogue is empty by theorem: greedy production implies a vocabulary-wide argmax, so it wins the pairwise ranking. Differential-damage indices are not scale-identified: heavy-tailed damage makes linear standardizations collapse onto their larger term, and the rank transform fixing this is bounded, so its null saturates. Both scores also contain the target's log-probability, which alone explains most of their variance and manufactures the apparent coupling. We withdraw a coupling statistic, a cross-level bridge and a separation measure. In a model reading and writing off one next-token distribution, no output-side pair isolates either ability: entanglement needing no index to see. By analogy, not homology, this situates LLMs in the space of possible minds.

Surrogate safety measures (SSMs) enable proactive traffic safety assessment, but many existing methods evaluate pairwise interactions independently or flatten multi-agent scenes into fixed feature vectors, limiting their ability to represent heterogeneous interaction structure and evolving scene-level risk. This study formulates traffic conflict assessment as temporal heterogeneous scene-graph classification and proposes HERMES, a heterogeneous edge-relational graph neural network with SSM-informed multi-head attention. Vehicles and pedestrians are represented as heterogeneous nodes, while vehicle-vehicle, vehicle-pedestrian, and pedestrian-pedestrian interactions are encoded as relation-specific edges with continuous kinematic and surrogate-safety descriptors. Relation-specific attention, dynamic node-edge updates, safety-aware graph pooling, and temporal sequence learning are jointly used to estimate scene-level conflict probability. HERMES was evaluated using 109,028 trajectory-derived sequences from a signalized urban intersection and tested on an independently collected comparable intersection dataset. Enhanced HERMES achieved an AUC-ROC of 0.9898 +/- 0.0013, an AUC-PR of 0.9412 +/- 0.0067, and an F1 score of 0.8449 +/- 0.0103. At a 5% false-alarm rate, it detected 95.7% of conflict sequences, outperforming the strongest Transformer baseline and XGBoost. In zero-shot external evaluation, HERMES achieved an AUC-ROC of 0.9752 and an AUC-PR of 0.7829. Joint source-target training further improved target-site performance with limited target-site data. These findings show that preserving heterogeneous interaction topology, safety-informed edge semantics, and short-term temporal evolution improves scene-level conflict classification and supports transferable roadside safety monitoring at signalized intersections.

While auditing a perturbation-based OOD detector on a document benchmark, we recorded an AUROC of 0.326 – well below the 0.5 chance level. The cause is a benchmark leak: the designated "OOD" class is one the model was trained on, so its examples sit inside the in-distribution fit set and the detector is penalized for correctly ranking them as familiar. Deleting the class and retraining 35 models across two domains raises the score to 0.911. We distill the contamination into a leak fingerprint – near-perfect supervised decodability (AUROC approximately 1) coupled with unsupervised detection collapsed below 0.65 – and validate it on a controlled battery of 52 settings (20 leaked, 32 clean) across ResNet-50 and ViT-B/16 on CIFAR-10/100, achieving sensitivity 18/20 and specificity 31/32 in embedding space; the matched fit-set-exclusion controls are perfect at 20/20. An in-the-wild audit of 24 standard near/far OOD benchmark pairs fires on exactly one (the intrinsically hard CIFAR-100 vs CIFAR-10 pair) and on no far-OOD pair, confirming specificity and that standard cross-dataset construction is clean. Under the corrected protocol, perturbation signals are decodable but not detectable: a supervised reader recovers the OOD signal (AUROC 0.87-1.00) while no unsupervised detector does, and the perturbation method does not improve on plain Mahalanobis distance. We provide a theoretical account of why and, for transparency, retract an earlier circular correlation. The contributions are a corrected protocol and a validated leak diagnostic, not a new OOD method.

Arsenic contamination in groundwater presents a longstanding public health crisis in the United States, especially for households depending on private wells. Accurate and spatially informed prediction of arsenic concentration is vital to identify high-risk areas and focus mitigation efforts. However, there is a lack of generalizable models for representing continuous variation in arsenic concentrations across regions. In this work, we pose arsenic prediction as a regression task and construct a spatially integrated dataset to aggregate over 74,000 arsenic samples from the Water Quality Portal (WQP), Mineral Resources Data System (MRDS), and Gridded National Soil Survey Geographic Database (gNATSGO). Specifically, we use a variety of techniques including kNearest Neighbors (k-NN) and Geographic Information Systems (GIS) to join arsenic measurement points from across the United States by location. Building on this dataset, we evaluate a diverse suite of machine learning models, including tree-based ensemble approaches, multilayer perceptrons, and spatially aware graph neural networks (GNN). Our findings show that while gradient-boosted trees are still considered state-of-the-art in the field of tabular data, GNNs are able to further account for spatial dependence to match or outperform the results of gradient-boosted trees. These results demonstrate that graph-based and spatially informed learning can enhance environmental prediction and provide a foundation for improved groundwater risk mapping and monitoring.

Low-Rank Adaptation is widely used for parameter-efficient fine-tuning, yet existing methods typically assign the same adapter rank to every transformer layer despite their heterogeneous adaptation requirements. In this work, we show theoretically and empirically that uniform rank allocation is fundamentally suboptimal. Motivated by this observation, we propose LAARA (Layer Aware Adaptive Rank Allocation framework), a search-free framework that dynamically allocates ranks using lightweight diagonal Fisher estimates computed during training. LAARA combines projection-wise normalization, logarithmic compression, blended adapter importance estimation, and a vote-to-change dampening mechanism to produce stable and efficient rank adaptation. Experiments on GLUE and MathInstruct benchmark demonstrate that LAARA consistently matches or outperforms popular state of the art approaches such as LoRA, AdaLoRA, DyLoRA, and Bitfit while using significantly fewer trainable parameters. Our results show that Fisher-guided rank allocation provides a principled and effective foundation for adaptive parameter-efficient fine-tuning. The code is publicly available at: https://anonymous.4open.science/r/LAARA-D305/LAARA.py

Orthogonalizing the mLSTM memory matrix at read time with five differentiable Newton-Schulz iterations improves noisy associative recall. We replicate this effect and investigate its mechanism. Training on MAD noisy recall exhibits a long chance-level plateau followed by a sharp increase in accuracy. The orthogonalized read improves conditioning during this plateau and can be removed after escape. Ablations support three findings. First, the benefit requires a self-consistent read and gradient: an exact recursive least-squares read (the Mesa layer) yields a similar benefit, while straight-through variants, delta-rule writes, frozen random keys, and Frobenius normalization show no improvement over baseline. Second, across a learning-rate x task-difficulty grid, orthogonalization multiplies escape hazard roughly six-fold, with no detectable dependence on difficulty, and widens the range of learning rates that produce successful runs. Third, adding orthogonalization at inference leaves chance-level failures unresolved, while removing it gradually after escape yields standard mLSTMs at near-perfect accuracy. Schedule changes alone recover much of the reported gain. A batch-size x learning-rate analysis separates the effects of per-step learning rate and gradient noise on escape hazard (elasticities +3.0 and -1.65, respectively), linking the original vocab-96 result to its large-batch training regime. Direct decoding of the memory state recovers roughly half of the associations in behaviorally failed models, indicating a readout-learning limitation despite substantial stored information. These results show that fixed-budget recall benchmarks are sensitive to trainability and provide a tractable setting for investigating abrupt behavioral transitions through measurements of internal representations.

As AI-driven Decision Makers (ADMs) influence our socioeconomic reality, their roles in both enhancing efficiency and amplifying the social biases have drawn significant attention. In this paper, we revisit the nuances of long-term fairness achievable by an ADM– specifically, through the lens of a loan approver inducing a population-level wealth dynamics. The literature generally (a) considers passive environments, i.e. the decisions of an ADM does not change the population's behaviour, and (b) measures bias in terms of disparity in the instantaneous decisions rather than downstream equity. Modern ADMs challenge both the notions. To address these caveats, we first formalise the wealth dynamics induced by a loan approving ADM interacting with a multi-demographic population as a Performative Markov Decision Process. Then, we mitigate the absence of such a performative test-bed by developing Eutopia: a lending-process simulator enabled with a novel performative data generator to learn long-term fair strategies. With Eutopia, we test reinforcement learning algorithms with different fairness-aware utilities dependent on approval decisions and downstream wealth. Results show that performative dynamics-aware learning with fairness-aware utility that incorporates the downstream outcomes induce better long-term equity and inclusivity.

This work extends our one-dimensional single-sweep neural-operator studies to two dimensions. We consider one-group transport with isotropic scattering. As in the one-dimensional work, we use Fourier neural operators (FNOs) to approximate the high-fidelity scalar flux. Additionally, we also investigate U-shaped neural operators (UNOs) in this study. We consider three surrogates. The first two map the material and source fields directly to the flux, one using an FNO and one using a UNO. The third is an FNO that additionally takes the scalar flux after one source iteration, the single-sweep approximation, as an input. Each case is solved to high fidelity with a verified discrete-ordinates solver, and an average relative L_2 error norm is used to characterize the quality of the inferred maps. We train every surrogate over three random seeds so that differences between them can be assessed against run-to-run variability. Two questions guide the study: whether the single-sweep input improves accuracy over the direct maps, and whether training on the logarithm of the flux improves accuracy in the strongly attenuated regions relevant to shielding.

Surrogate modeling for high-dimensional nonlinear dynamical systems that exhibit chaos requires mechanisms that preserve not only pointwise accuracy but also the scale-dependent structure of physical fields. Bandwise spectral power losses, such as the binned spectral loss function, provide such supervision on structured grids, where Fourier modes define a standard frequency decomposition. On irregular meshes, however, no canonical Fourier basis exists, and spectral representations must be constructed from graph operators induced by mesh connectivity and geometry. In this study, we extend the binned spectral power loss for application to unstructured-mesh surrogate modeling of nonlinear dynamical systems. This is obtained by replacing Fourier bands with graph-Laplacian frequency bands, and we provide scalable Chebyshev and multilevel approximations for improving long-horizon rollout fidelity. In its full-spectrum form, our approach uses graph Laplacian eigenspaces to provide a graph analogue of Fourier band-power matching, but incurs the high cost of spectral decomposition. As a scalable approximation, we replace exact band projectors with sparse Chebyshev polynomial graph filters, avoiding explicit eigendecomposition. When utilizing multilevel graph architectures, we introduce Graph Laplacian Energy Alignment for Meshes (GLEAM), which applies retained-subspace scale-aware supervision across graph hierarchies so that coarse and fine representations are regularized during autoregressive rollout. Our results show that the proposed spectral losses improve long-horizon rollout fidelity and preserve statistical invariants for the forecasting of turbulent flows on unstructured meshes, compared to deterministic baselines.

Molecular docking predicts how a small molecule binds to a protein and is a key bottleneck in drug discovery. Classical scoring functions sum empirical pairwise contacts, blind to quantum-mechanical effects like orbital charge transfer that govern binding specificity. We introduce Q-Score, encoding GNN-predicted orbital donor-acceptor energies into a weighted graph and scoring binding by solving a maximum-weight vertex clique problem via Digitized-Counterdiabatic QAOA. Each interaction anchor maps to one qubit and compatibility constraints become edges. Across 11 protein targets, DC-QAOA recovers the exact optimum on 8 at 10 qubits. On 1000 AI-generated molecules, Q-Score is orthogonal to classical scoring with Spearman rho of 0.05, driven by orbital quality with rho of 0.90, and free of molecular-weight bias, enriching for strong orbital interactions at twice the random rate. DC-QAOA achieves a mean approximation ratio of 0.94 with 52 percent exact. Execution of 1000 circuits on IBM Eagle confirms 6-qubit solvability on NISQ hardware.

The high-angle-of-attack flip maneuver of reusable launch vehicles presents significant challenges for robust trajectory optimization due to the combined effects of highly nonlinear dynamics, aerodynamic uncertainties, and actuator saturation. This paper presents a differentiable physics framework for saturation-aware robust trajectory optimization. At its core, a Differentiable Particle Tube Control (DPTC) scheme is developed to optimize uncertainty evolution through an ensemble-based distribution shaping strategy. State uncertainty is represented by a Lagrangian particle ensemble, while hard actuator projection operators are embedded directly into the computational graph, enabling the joint optimization of the nominal feedforward trajectory and a time-varying feedback policy via end-to-end backpropagation. The proposed framework is evaluated against an automatic differentiation-based Successive Convexification (AD-SCvx) baseline combined with a conventional covariance steering feedback strategy. Six-degree-of-freedom Monte Carlo simulations demonstrate that, although the baseline achieves nominal fuel-optimal solutions, its unconstrained feedback formulation becomes susceptible to actuator saturation under aerodynamic disturbances, leading to degraded closed-loop robustness. In contrast, the proposed DPTC framework proactively performs a constraint-aware performance trade-off by relaxing spatial tracking to preserve critical control authority. These results demonstrate that integrating differentiable physics with ensemble-based optimization provides an effective and practical framework for robust guidance in highly constrained aerospace flight systems.

Existing ViT-based weather forecasting models apply uniform computation across all spatial tokens, even though nearby atmospheric grid points often contain similar values and large regions evolve smoothly over time. This makes much of the intermediate per-token computation redundant. Standard token-efficiency methods, such as pruning or merging, reduce cost by removing or fusing tokens. However, weather forecasting is a spatiotemporal dense prediction problem in which a history of atmospheric states must be mapped to future values on the original latitude-longitude grid. Thus, every grid cell must retain a physically meaningful representation, especially under autoregressive rollout. We introduce Sparse-Reslim, a parameter-free plug-in routing module that makes sparse token processing compatible with this fixed-grid requirement. Sparse-Reslim routes only 25% of spatial tokens through the expensive middle transformer blocks and treats those blocks as residual updates: it computes the change produced for the routed tokens and scatters only this delta back to the full sequence. Unselected tokens keep their pre-routing representations exactly, so no grid cell is dropped or replaced by a mask token, and no fusion layer or additional parameters are introduced. Across ERA5 resolutions up to the operational 0.25\textdegree{} standard and two model families, a deterministic Transformer and a diffusion model, Sparse-Reslim improves forecast accuracy on every evaluated variable while substantially reducing cost: training is about 2.5x faster in the main settings and reaches 3.18x speedup at 0.25\textdegree{}, with over 2.2x lower peak memory. A controlled decomposition shows that the accuracy gain comes primarily from sparse routing itself, while random token selection provides an additional regularization benefit without selector overhead.

High-throughput long-context generation is one of the central challenges for large language models. Generation is typically memory-bandwidth-bound rather than compute-bound: each decoding step must stream the accumulated key/value (KV) cache from memory, so bandwidth demand grows with context length while only one token is emitted. Two parallel approaches have therefore emerged: reducing memory access with efficient attention variants and linear-time mixers such as Mamba, or increasing parallel computation by generating blocks of tokens at once. However, technical challenges arise when combining these two ideas. Earlier hybrid diffusion models such as DiffuMamba use bidirectional Mamba mixing, including a reverse-direction scan relative to causal generation. This reverse scan needs to scan the entire sequence, so its states are not prefix-only and cannot be precisely reused as a cache even when diffusion is performed block by block. We propose a BDLM Mamba–attention hybrid that addresses this challenge by restricting the reverse Mamba scan to the active denoising block, which enables exact caching across blocks. In an 87M-parameter DCLM sweep, BDLM Mamba-H achieves the best C4-en validation perplexity compared to BDLM attention and full-sequence baselines. At 350M parameters, it remains competitive with BDLM attention. For long-context inference, BDLM Mamba-H reaches 19.7x the throughput of full-sequence DiffuMamba-H at 65K tokens and 3.7x the throughput of BDLM attention at 262K, showing that Mamba hybrids are a potential long-context diffusion architecture.