Transforming Behavioral Neuroscience Discovery with In-Context Learning and AI-Enhanced Tensor Methods

Scientific discovery pipelines typically involve complex, rigid, and time-consuming processes, from data preparation to analyzing and interpreting findings. Recent advances in AI have the potential to transform such pipelines in a way that domain experts can focus on interpreting and understanding findings, rather than debugging rigid pipelines or manually annotating data. As part of an active collaboration between data science/AI researchers and behavioral neuroscientists, we showcase an example AI-enhanced pipeline, specifically designed to transform and accelerate the way that the domain experts in the team are able to gain insights out of experimental data. The application at hand is in the domain of behavioral neuroscience, studying fear generalization in mice, an important problem whose progress can advance our understanding of clinically significant and often debilitating conditions such as PTSD (Post-Traumatic Stress Disorder). We identify the emerging paradigm of "In-Context Learning" (ICL) as a suitable interface for domain experts to automate parts of their pipeline without the need for or familiarity with AI model training and fine-tuning, and showcase its remarkable efficacy in data preparation and pattern interpretation. Also, we introduce novel AI-enhancements to tensor decomposition model, which allows for more seamless pattern discovery from the heterogeneous data in our application. We thoroughly evaluate our proposed pipeline experimentally, showcasing its superior performance compared to what is standard practice in the domain, as well as against reasonable ML baselines that do not fall under the ICL paradigm, to ensure that we are not compromising performance in our quest for a seamless and easy-to-use interface for domain experts. Finally, we demonstrate effective discovery, with results validated by the domain experts in the team.

Discrete Stochastic Localization for Non-autoregressive Generation

Non-autoregressive (NAR) generation reduces decoding latency by predicting many tokens in parallel, but iterative refinement often suffers from error accumulation and distribution shift under self-generated drafts. Masked diffusion language models (MDLMs) and their remasking samplers (e.g., ReMDM) can be viewed as modern NAR iterative refinement, where generation repeatedly revises a partially observed draft. In this work we show that \emph{training alone} can substantially improve the step-efficiency of MDLM/ReMDM sampling. We propose \textsc{DSL} (Discrete Stochastic Localization), which trains a single SNR-invariant denoiser across a continuum of corruption levels, bridging intermediate draft noise and mask-style endpoint corruption within one Diffusion Transformer. On OpenWebText, \textsc{DSL} fine-tuning yields large MAUVE gains at low step budgets, surpassing the MDLM+ReMDM baseline with \(\sim\)4$\times$ fewer denoiser evaluations, and matches autoregressive quality at high budgets. Analyses show improved self-correction and uncertainty calibration, making remasking markedly more compute-efficient.

Extracting and Analyzing Rail Crossing Behavior Signatures from Videos using Tensor Methods

Railway crossings present complex safety challenges where driver behavior varies by location, time, and conditions. Traditional approaches analyze crossings individually, limiting the ability to identify shared behavioral patterns across locations. We propose a multi-view tensor decomposition framework that captures behavioral similarities across three temporal phases: Approach (warning activation to gate lowering), Waiting (gates down to train passage), and Clearance (train passage to gate raising). We analyze railway crossing videos from multiple locations using TimeSformer embeddings to represent each phase. By constructing phase-specific similarity matrices and applying non-negative symmetric CP decomposition, we discover latent behavioral components with distinct temporal signatures. Our tensor analysis reveals that crossing location appears to be a stronger determinant of behavior patterns than time of day, and that approach-phase behavior provides particularly discriminative signatures. Visualization of the learned component space confirms location-based clustering, with certain crossings forming distinct behavioral clusters. This automated framework enables scalable pattern discovery across multiple crossings, providing a foundation for grouping locations by behavioral similarity to inform targeted safety interventions.

Jailbreaking Leaves a Trace: Understanding and Detecting Jailbreak Attacks from Internal Representations of Large Language Models

Jailbreaking large language models (LLMs) has emerged as a critical security challenge with the widespread deployment of conversational AI systems. Adversarial users exploit these models through carefully crafted prompts to elicit restricted or unsafe outputs, a phenomenon commonly referred to as Jailbreaking. Despite numerous proposed defense mechanisms, attackers continue to develop adaptive prompting strategies, and existing models remain vulnerable. This motivates approaches that examine the internal behavior of LLMs rather than relying solely on prompt-level defenses. In this work, we study jailbreaking from both security and interpretability perspectives by analyzing how internal representations differ between jailbreak and benign prompts. We conduct a systematic layer-wise analysis across multiple open-source models, including GPT-J, LLaMA, Mistral, and the state-space model Mamba, and identify consistent latent-space patterns associated with harmful inputs. We then propose a tensor-based latent representation framework that captures structure in hidden activations and enables lightweight jailbreak detection without model fine-tuning or auxiliary LLM-based detectors. We further demonstrate that the latent signals can be used to actively disrupt jailbreak execution at inference time. On an abliterated LLaMA-3.1-8B model, selectively bypassing high-susceptibility layers blocks 78% of jailbreak attempts while preserving benign behavior on 94% of benign prompts. This intervention operates entirely at inference time and introduces minimal overhead, providing a scalable foundation for achieving stronger coverage by incorporating additional attack distributions or more refined susceptibility thresholds. Our results provide evidence that jailbreak behavior is rooted in identifiable internal structures and suggest a complementary, architecture-agnostic direction for improving LLM security.

Tensor Methods: A Unified and Interpretable Approach for Material Design

When designing new materials, it is often necessary to tailor the material design (with respect to its design parameters) to have some desired properties (e.g. Young's modulus). As the set of design parameters grow, the search space grows exponentially, making the actual synthesis and evaluation of all material combinations virtually impossible. Even using traditional computational methods such as Finite Element Analysis becomes too computationally heavy to search the design space. Recent methods use machine learning (ML) surrogate models to more efficiently determine optimal material designs; unfortunately, these methods often (i) are notoriously difficult to interpret and (ii) under perform when the training data comes from a non-uniform sampling of the design space. We suggest the use of tensor completion methods as an all-in-one approach for interpretability and predictions. We observe classical tensor methods are able to compete with traditional ML in predictions, with the added benefit of their interpretable tensor factors (which are given completely for free, as a result of the prediction). In our experiments, we are able to rediscover physical phenomena via the tensor factors, indicating that our predictions are aligned with the true underlying physics of the problem. This also means these tensor factors could be used by experimentalists to identify potentially novel patterns, given we are able to rediscover existing ones. We also study the effects of both types of surrogate models when we encounter training data from a non-uniform sampling of the design space. We observe more specialized tensor methods that can give better generalization in these non-uniforms sampling scenarios. We find the best generalization comes from a tensor model, which is able to improve upon the baseline ML methods by up to 5% on aggregate $R^2$, and halve the error in some out of distribution regions.

A Real-Time System to Populate FRA Form 57 from News

Local railway committees need timely situational awareness after highway-rail grade crossing incidents, yet official Federal Railroad Administration (FRA) investigations can take days to weeks. We present a demo system that populates Highway-Rail Grade Crossing Incident Data (Form 57) from news in real time. Our approach addresses two core challenges: the form is visually irregular and semantically dense, and news is noisy. To solve these problems, we design a pipeline that first converts Form 57 into a JSON schema using a vision language model with sample aggregation, and then performs grouped question answering following the intent of the form layout to reduce ambiguity. In addition, we build an evaluation dataset by aligning scraped news articles with official FRA records and annotating retrievable information. We then assess our system against various alternatives in terms of information retrieval accuracy and coverage.

Graph Neural Networks for Interferometer Simulations

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences: instrumentation design. As a case study, we apply GNNs to simulate models of the Laser Interferometer Gravitational-Wave Observatory (LIGO) and show that they are capable of accurately capturing the complex optical physics at play, while achieving runtimes 815 times faster than state of the art simulation packages. We discuss the unique challenges this problem provides for machine learning models. In addition, we provide a dataset of high-fidelity optical physics simulations for three interferometer topologies, which can be used as a benchmarking suite for future work in this direction.

Preliminary Use of Vision Language Model Driven Extraction of Mouse Behavior Towards Understanding Fear Expression

Integration of diverse data will be a pivotal step towards improving scientific explorations in many disciplines. This work establishes a vision-language model (VLM) that encodes videos with text input in order to classify various behaviors of a mouse existing in and engaging with their environment. Importantly, this model produces a behavioral vector over time for each subject and for each session the subject undergoes. The output is a valuable dataset that few programs are able to produce with as high accuracy and with minimal user input. Specifically, we use the open-source Qwen2.5-VL model and enhance its performance through prompts, in-context learning (ICL) with labeled examples, and frame-level preprocessing. We found that each of these methods contributes to improved classification, and that combining them results in strong F1 scores across all behaviors, including rare classes like freezing and fleeing, without any model fine-tuning. Overall, this model will support interdisciplinary researchers studying mouse behavior by enabling them to integrate diverse behavioral features, measured across multiple time points and environments, into a comprehensive dataset that can address complex research questions.

Robust Vision-Language Models via Tensor Decomposition: A Defense Against Adversarial Attacks

Vision language models (VLMs) excel in multimodal understanding but are prone to adversarial attacks. Existing defenses often demand costly retraining or significant architecture changes. We introduce a lightweight defense using tensor decomposition suitable for any pre-trained VLM, requiring no retraining. By decomposing and reconstructing vision encoder representations, it filters adversarial noise while preserving meaning. Experiments with CLIP on COCO and Flickr30K show improved robustness. On Flickr30K, it restores 12.3\% performance lost to attacks, raising Recall@1 accuracy from 7.5\% to 19.8\%. On COCO, it recovers 8.1\% performance, improving accuracy from 3.8\% to 11.9\%. Analysis shows Tensor Train decomposition with low rank (8-32) and low residual strength ($\alpha=0.1-0.2$) is optimal. This method is a practical, plug-and-play solution with minimal overhead for existing VLMs.

Multi-view Graph Condensation via Tensor Decomposition

Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast potential, training them on large-scale graphs presents significant computational challenges due to the resources required for their storage and processing. Graph Condensation has emerged as a promising solution to reduce these demands by learning a synthetic compact graph that preserves the essential information of the original one while maintaining the GNN's predictive performance. Despite their efficacy, current graph condensation approaches frequently rely on a computationally intensive bi-level optimization. Moreover, they fail to maintain a mapping between synthetic and original nodes, limiting the interpretability of the model's decisions. In this sense, a wide range of decomposition techniques have been applied to learn linear or multi-linear functions from graph data, offering a more transparent and less resource-intensive alternative. However, their applicability to graph condensation remains unexplored. This paper addresses this gap and proposes a novel method called Multi-view Graph Condensation via Tensor Decomposition (GCTD) to investigate to what extent such techniques can synthesize an informative smaller graph and achieve comparable downstream task performance. Extensive experiments on six real-world datasets demonstrate that GCTD effectively reduces graph size while preserving GNN performance, achieving up to a 4.0\ improvement in accuracy on three out of six datasets and competitive performance on large graphs compared to existing approaches. Our code is available at https://anonymous.4open.science/r/gctd-345A.