Large Language Models (LLMs) are increasingly being used to plan, reason, and execute tasks across diverse scenarios. In use cases like repeatable workflows and agentic settings, prompts are often reused with minor variations while having a similar structure for recurring tasks. This opens up opportunities for caching. However, exact prompt matching fails on such structurally similar prompts, while semantic caching may produce incorrect responses by ignoring critical differences. To address this, we introduce GenCache, a generative cache that produces variationaware responses for structurally similar prompts. GenCache identifies reusable response patterns across similar prompt structures and synthesizes customized outputs for new requests. We show that GenCache achieves 83% cache hit rate, while having minimal incorrect hits on datasets without prompt repetition. In agentic workflows, it improves cache hit rate by 20% and reduces end-to-end execution latency by 34% compared to standard prompt matching.

Predicting interactions between biochemical entities is a core challenge in drug discovery and systems biology, often hindered by limited data and poor generalization to unseen entities. Traditional discriminative models frequently underperform in such settings. We propose BioCG (Biochemical Constrained Generation), a novel framework that reformulates interaction prediction as a constrained sequence generation task. BioCG encodes target entities as unique discrete sequences via Iterative Residual Vector Quantization (I-RVQ) and trains a generative model to produce the sequence of an interacting partner given a query entity. A trie-guided constrained decoding mechanism, built from a catalog of valid target sequences, concentrates the model's learning on the critical distinctions between valid biochemical options, ensuring all outputs correspond to an entity within the pre-defined target catalog. An information-weighted training objective further focuses learning on the most critical decision points. BioCG achieves state-of-the-art (SOTA) performance across diverse tasks, Drug-Target Interaction (DTI), Drug-Drug Interaction (DDI), and Enzyme-Reaction Prediction, especially in data-scarce and cold-start conditions.

In recent years, the alignment between artificial neural network (ANN) embeddings and blood oxygenation level dependent (BOLD) responses in functional magnetic resonance imaging (fMRI) via neural encoding models has significantly advanced research on neural representation mechanisms and interpretability in the brain. However, these approaches remain limited in characterizing the brain's inherently nonlinear response properties. To address this, we propose the Jacobianbased Nonlinearity Evaluation (JNE), an interpretability metric for nonlinear neural encoding models. JNE quantifies nonlinearity by statistically measuring the dispersion of local linear mappings (Jacobians) from model representations to predicted BOLD responses, thereby approximating the nonlinearity of BOLD signals. Centered on proposing JNE as a novel interpretability metric, we validated its effectiveness through controlled simulation experiments on various activation functions and network architectures, and further verified it on real fMRI data, demonstrating a hierarchical progression of nonlinear characteristics from primary to higher-order visual cortices, consistent with established cortical organization. We further extended JNE with Sample-Specificity (JNE-SS), revealing stimulus-selective nonlinear response patterns in functionally specialized brain regions. As the first interpretability metric for quantifying nonlinear responses, JNE provides new insights into brain information processing.

We introduce MLE-Dojo, a Gym-style framework for systematically reinforcement learning, evaluating, and improving autonomous large language model (LLM) agents in iterative machine learning engineering (MLE) workflows. Unlike existing benchmarks that primarily rely on static datasets or single-attempt evaluations, MLE-Dojoprovides an interactive environment enabling agents to iteratively experiment, debug, and refine solutions through structured feedback loops. Built upon 200+ real-world Kaggle challenges, MLE-Dojocovers diverse, open-ended MLE tasks carefully curated to reflect realistic engineering scenarios such as data processing, architecture search, hyperparameter tuning, and code debugging. Its fully executable environment supports comprehensive agent training via both supervised fine-tuning and reinforcement learning, facilitating iterative experimentation, realistic data sampling, and real-time outcome verification. Extensive evaluations of eight frontier LLMs reveal that while current models achieve meaningful iterative improvements, they still exhibit significant limitations in autonomously generating long-horizon solutions and efficiently resolving complex errors.

AI audits play a critical role in AI accountability and safety. They are particularly salient in anti-discrimination law. Several areas of anti-discrimination law implicate what is known as the "less discriminatory alternative" (LDA) requirement, under which a protocol is defensible if no less discriminatory model that achieves comparable performance can be found with reasonable effort. Notably, the burden of proving an LDA exists typically falls on the claimant (the party alleging discrimination). This creates a significant hurdle in AI cases, as the claimant would seemingly need to train a less discriminatory yet high-performing model, a task requiring resources and expertise beyond most litigants.

Large Language Model (LLM) agents are capable of task execution across various domains by autonomously interacting with environments and refining LLM responses based on feedback. However, existing model serving systems are not optimized for the unique demands of serving agents. Compared to classic model serving, agent serving has different characteristics: predictable request pattern, increasing quality requirement, and unique prompt formatting. We identify a key problem for agent serving: LLM serving systems lack session-awareness. They neither perform effective KV cache management nor precisely select the cheapest yet competent model in each round. This leads to a cost-quality tradeoff, and we identify an opportunity to surpass it in an agent serving system. To this end, we introduce AGSERVE for AGile AGent SERVing.

Existing test-time adaptation (TTA) methods primarily focus on scenarios involving domain shifts in a single modality. However, they often prove ineffective when multiple modalities simultaneously undergo domain shifts, as they struggle to identify and utilize reliable samples within testing batches amid severe prediction bias. To address this problem, we propose Partition-Then-Adapt (PTA), a novel approach combating prediction bias for TTA with multi-modal domain shifts. PTA comprises two key components: Partition and Debiased Reweighting (PDR) and multi-modal Attention-Guided Alignment (AGA). Specifically, PDR evaluates each sample's predicted label frequency relative to the batch average, partitioning the batch into potential reliable and unreliable subsets.

In real-world applications, anomaly detection (AD) often operates without access to anomalous data, necessitating semi-supervised methods that rely solely on normal data. Among these methods, deep $k$-nearest neighbor (deep $k$NN) AD stands out for its interpretability and flexibility, leveraging distance-based scoring in deep latent spaces. Despite its strong performance, deep $k$NN lacks a mechanism to quantify uncertainty--an essential feature for critical applications such as industrial inspection. To address this limitation, we propose a statistical framework that quantifies the significance of detected anomalies in the form of $p$-values, thereby enabling control over false positive rates at a user-specified significance level (e.g.,0.05). A central challenge lies in managing selection bias, which we tackle using Selective Inference--a principled method for conducting inference conditioned on data-driven selections. We evaluate our method on diverse datasets and demonstrate that it provides reliable AD well-suited for industrial use cases.

Multimodal large language models (MLLMs) demonstrates remarkable capabilities in handling complex multimodal tasks and are increasingly adopted in video understanding applications. However, their rapid advancement raises serious data privacy concerns, particularly given the potential inclusion of sensitive video content, such as personal recordings and surveillance footage, in their training datasets. Determining improperly used videos during training remains a critical and unresolved challenge. Despite considerable progress on membership inference attacks (MIAs) for text and image data in MLLMs, existing methods fail to generalize effectively to the video domain. These methods suffer from poor scalability as more frames are sampled and generally achieve negligible true positive rates at low false positive rates (TPR@Low FPR), mainly due to their failure to capture the inherent temporal variations of video frames and to account for model behavior differences as the number of frames varies.

Unsupervised anomaly detection of multivariate time series remains challenging in complex nonstationary dynamics, due to the high false-positive rates and limited interpretability. We propose PhysDiff, combining physics-guided decomposition with diffusion-based reconstruction, to address these issues. The physics-guided signal decomposition is introduced to disentangle overlapping dynamics by isolating high frequency oscillations and low frequency trends, which can reduce interference and provide meaningful physical priors. The reconstruction through conditional diffusion modeling captures deviations from learned normal behavior, making anomalies more distinguishable. Notably, PhysDiff introduces an amplitude-sensitive permutation entropy criterion to adaptively determine the optimal decomposition depth, and automatically extract adaptive frequency components used as explicit physics-based constraints for the diffusion process. Furthermore, the proposed conditional diffusion network employs a dual-path conditioning mechanism that integrates high-frequency and low-frequency physical priors, dynamically regulating the denoising process via a novel time frequency energy routing mechanism. By weighting reconstruction errors across frequency bands, our method improves anomaly localization and enhances interpretability. Extensive experiments on five benchmark datasets and two NeurIPS-TS scenarios demonstrate that PhysDiff outperforms 18 state-of-the-art baselines, with average F1-score improvements on both standard and challenging datasets.