Machine learning has achieved remarkable successes, yet its deployment in safety-critical domains remains hindered by an inherent inability to manage uncertainty, resulting in overconfident and unreliable predictions when models encounter out-of-distribution data, adversarial perturbations, or naturally fluctuating environments. This thesis, titled Epistemic Deep Learning: Enabling Machine Learning Models to 'Know When They Do Not Know', addresses these critical challenges by advancing the paradigm of Epistemic Artificial Intelligence, which explicitly models and quantifies epistemic uncertainty: the uncertainty arising from limited, biased, or incomplete training data, as opposed to the irreducible randomness of aleatoric uncertainty, thereby empowering models to acknowledge their limitations and refrain from overconfident decisions when uncertainty is high. Central to this work is the development of the Random-Set Neural Network (RS-NN), a novel methodology that leverages random set theory to predict belief functions over sets of classes, capturing the extent of epistemic uncertainty through the width of associated credal sets, applications of RS-NN, including its adaptation to Large Language Models (LLMs) and its deployment in weather classification for autonomous racing. In addition, the thesis proposes a unified evaluation framework for uncertainty-aware classifiers. Extensive experiments validate that integrating epistemic awareness into deep learning not only mitigates the risks associated with overconfident predictions but also lays the foundation for a paradigm shift in artificial intelligence, where the ability to 'know when it does not know' becomes a hallmark of robust and dependable systems. The title encapsulates the core philosophy of this work, emphasizing that true intelligence involves recognizing and managing the limits of one's own knowledge.

Figure 1: Overview of the proposed ToolEQA for Embodied Question Answering (EQA). ToolEQA enables to decompose questions into structured plans, reasoning to select tools, and invoke tools to explore and answer. ToolEQA achieves highest accuracy with fewer reasoning steps. Embodied Question Answering (EQA) requires agents to explore 3D environments to obtain observations and answer questions related to the scene. Existing methods leverage VLMs to directly explore the environment and answer questions without explicit thinking or planning, which limits their reasoning ability and results in excessive or inefficient exploration as well as ineffective responses. In this paper, we introduce T oolEQA, an agent that integrates external tools with multi-step reasoning, where external tools can provide more useful information for completing the task, helping the model derive better exploration directions in the next step of reasoning and thus obtaining additional effective information. This enables ToolEQA to generate more accurate responses with a shorter exploration distance. To enhance the model's ability for tool-usage and multi-step reasoning, we further design a novel EQA data generation pipeline that automatically Based on the pipeline, we collect the EQA-RT dataset that contains about 18K tasks, divided into a training set EQA-RT -Train, and two test sets EQA-RT -Seen (scenes overlapping with the training set) and EQA-RT -Unseen (novel scenes). Experiments on EQA-RT -Seen and EQA-RT -Unseen show that ToolEQA improves the success rate by 9.2 20.2% over state-of-the-art baselines, while outperforming the zero-shot ToolEQA by 10% in success rate.

Reinforcement learning from human feedback (RLHF) or verifiable rewards (RLVR), the standard paradigm for aligning LLMs or building recent SOTA reasoning models, is highly sensitive to noise from inconsistent or erroneous rewards. Yet, the interaction between such noise and widely used group-based policy optimization methods remains underexplored. We introduce a noise-robust Group Relative Policy Optimization (GRPO) and Done Right GRPO (Dr.GRPO) framework that explicitly models reward corruption as Bernoulli noise. Our method applies noise correction after estimating reward flip probabilities to debias the learning signal, yielding provably unbiased gradient estimates. Theoretical analysis shows that group-based methods inherently mitigate individual-level noise, and our correction strategy amplifies this robustness. Empirically, we observe consistent improvements across math and code tasks when applying our noise correction to standard reward model usage, with particular gains of up to 6.7 percentage points in accuracy on math tasks and 1.5 on code tasks under realistic reward model conditions. This work bridges label-noise correction from supervised learning with modern RLHF, offering both theoretical insights and a practical algorithm for noisy real-world deployment.

Large language model (LLM) simulations of human behavior have the potential to revolutionize the social and behavioral sciences, if and only if they faithfully reflect real human behaviors. Current evaluations are fragmented, based on bespoke tasks and metrics, creating a patchwork of incomparable results. To address this, we introduce SimBench, the first large-scale, standardized benchmark for a robust, reproducible science of LLM simulation. By unifying 20 diverse datasets covering tasks from moral decision-making to economic choice across a large global participant pool, SimBench provides the necessary foundation to ask fundamental questions about when, how, and why LLM simulations succeed or fail. We show that, while even the best LLMs today have limited simulation ability (score: 40.80/100), performance scales log-linearly with model size. Simulation performance is not improved by increased inference-time compute. We demonstrate an alignment-simulation trade-off: instruction-tuning improves performance on low-entropy (consensus) questions but degrades it on high-entropy (diverse) ones. Models particularly struggle when simulating specific demographic groups. Finally, we demonstrate that simulation ability correlates most strongly with deep, knowledge-intensive reasoning (MMLU-Pro, r=0.939). By making progress measurable, we aim to accelerate the development of more faithful LLM simulators.

Consumer research costs companies billions annually yet suffers from panel biases and limited scale. Large language models (LLMs) offer an alternative by simulating synthetic consumers, but produce unrealistic response distributions when asked directly for numerical ratings. We present semantic similarity rating (SSR), a method that elicits textual responses from LLMs and maps these to Likert distributions using embedding similarity to reference statements. Testing on an extensive dataset comprising 57 personal care product surveys conducted by a leading corporation in that market (9,300 human responses), SSR achieves 90% of human test-retest reliability while maintaining realistic response distributions (KS similarity > 0.85). Additionally, these synthetic respondents provide rich qualitative feedback explaining their ratings. This framework enables scalable consumer research simulations while preserving traditional survey metrics and interpretability.

Large Language Model (LLM)-based agents solve complex tasks through iterative reasoning, exploration, and tool-use, a process that can result in long, expensive context histories. While state-of-the-art Software Engineering (SE) agents like OpenHands or Cursor use LLM-based summarization to tackle this issue, it is unclear whether the increased complexity offers tangible performance benefits compared to simply omitting older observations. We present a systematic comparison of these approaches within SWE-agent on SWE-bench Verified across five diverse model configurations. Moreover, we show initial evidence of our findings generalizing to the OpenHands agent scaffold. We find that a simple environment observation masking strategy halves cost relative to the raw agent while matching, and sometimes slightly exceeding, the solve rate of LLM summarization. Additionally, we introduce a novel hybrid approach that further reduces costs by 7% and 11% compared to just observation masking or LLM summarization, respectively. Our findings raise concerns regarding the trend towards pure LLM summarization and provide initial evidence of untapped cost reductions by pushing the efficiency-effectiveness frontier. We release code and data for reproducibility.

Legal claims refer to the plaintiff's demands in a case and are essential to guiding judicial reasoning and case resolution. While many works have focused on improving the efficiency of legal professionals, the research on helping non-professionals (e.g., plaintiffs) remains unexplored. This paper explores the problem of legal claim generation based on the given case's facts. First, we construct ClaimGen-CN, the first dataset for Chinese legal claim generation task, from various real-world legal disputes. Additionally, we design an evaluation metric tailored for assessing the generated claims, which encompasses two essential dimensions: factuality and clarity. Building on this, we conduct a comprehensive zero-shot evaluation of state-of-the-art general and legal-domain large language models. Our findings highlight the limitations of the current models in factual precision and expressive clarity, pointing to the need for more targeted development in this domain. To encourage further exploration of this important task, we will make the dataset publicly available.

We introduce ReXGroundingCT, the first publicly available dataset linking free-text findings to pixel-level 3D segmentations in chest CT scans. The dataset includes 3,142 non-contrast chest CT scans paired with standardized radiology reports from CT-RATE. Construction followed a structured three-stage pipeline. First, GPT-4 was used to extract and standardize findings, descriptors, and metadata from reports originally written in Turkish and machine-translated into English. Second, GPT-4o-mini categorized each finding into a hierarchical ontology of lung and pleural abnormalities. Third, 3D annotations were produced for all CT volumes: the training set was quality-assured by board-certified radiologists, and the validation and test sets were fully annotated by board-certified radiologists. Additionally, a complementary chain-of-thought dataset was created to provide step-by-step hierarchical anatomical reasoning for localizing findings within the CT volume, using GPT-4o and localization coordinates derived from organ segmentation models. ReXGroundingCT contains 16,301 annotated entities across 8,028 text-to-3D-segmentation pairs, covering diverse radiological patterns from 3,142 non-contrast CT scans. About 79% of findings are focal abnormalities and 21% are non-focal. The dataset includes a public validation set of 50 cases and a private test set of 100 cases, both annotated by board-certified radiologists. The dataset establishes a foundation for enabling free-text finding segmentation and grounded radiology report generation in CT imaging. Model performance on the private test set is hosted on a public leaderboard at https://rexrank.ai/ReXGroundingCT. The dataset is available at https://huggingface.co/datasets/rajpurkarlab/ReXGroundingCT.

Most existing sound event detection~(SED) algorithms operate under a closed-set assumption, restricting their detection capabilities to predefined classes. While recent efforts have explored language-driven zero-shot SED by exploiting audio-language models, their performance is still far from satisfactory due to the lack of fine-grained alignment and cross-modal feature fusion. In this work, we propose the Detect Any Sound Model (DASM), a query-based framework for open-vocabulary SED guided by multi-modal queries. DASM formulates SED as a frame-level retrieval task, where audio features are matched against query vectors derived from text or audio prompts. To support this formulation, DASM introduces a dual-stream decoder that explicitly decouples event recognition and temporal localization: a cross-modality event decoder performs query-feature fusion and determines the presence of sound events at the clip-level, while a context network models temporal dependencies for frame-level localization. Additionally, an inference-time attention masking strategy is proposed to leverage semantic relations between base and novel classes, substantially enhancing generalization to novel classes. Experiments on the AudioSet Strong dataset demonstrate that DASM effectively balances localization accuracy with generalization to novel classes, outperforming CLAP-based methods in open-vocabulary setting (+ 7.8 PSDS) and the baseline in the closed-set setting (+ 6.9 PSDS). Furthermore, in cross-dataset zero-shot evaluation on DESED, DASM achieves a PSDS1 score of 42.2, even exceeding the supervised CRNN baseline. The project page is available at https://cai525.github.io/Transformer4SED/demo_page/DASM/.

Reasoning methods that adaptively allocate test-time compute have advanced LLM performance on easy to verify domains such as math and code. In this work, we study how to utilize this approach to train models that exhibit a degree of robustness to safety vulnerabilities, and show that doing so can provide benefits. We build a recipe called $\textit{TARS}$ (Training Adaptive Reasoners for Safety), a reinforcement learning (RL) approach that trains models to reason about safety using chain-of-thought traces and a reward signal that balances safety with task completion. To build TARS, we identify three critical design choices: (1) a ``lightweight'' warmstart SFT stage, (2) a mix of harmful, harmless, and ambiguous prompts to prevent shortcut behaviors such as too many refusals, and (3) a reward function to prevent degeneration of reasoning capabilities during training. Models trained with TARS exhibit adaptive behaviors by spending more compute on ambiguous queries, leading to better safety-refusal trade-offs. They also internally learn to better distinguish between safe and unsafe prompts and attain greater robustness to both white-box (e.g., GCG) and black-box attacks (e.g., PAIR). Overall, our work provides an effective, open recipe for training LLMs against jailbreaks and harmful requests by reasoning per prompt.