Psychometric Validation

Empirical investigations into unintended model behavior often show that the algorithm is predicting another outcome than what was intended. These exposés highlight the need to identify when algorithms predict unintended quantities - ideally before deploying them into consequential settings. We propose a falsification framework that provides a principled statistical test for discriminant validity: the requirement that an algorithm predict intended outcomes better than impermissible ones. Drawing on falsification practices from causal inference, econometrics, and psychometrics, our framework compares calibrated prediction losses across outcomes to assess whether the algorithm exhibits discriminant validity with respect to a specified impermissible proxy. In settings where the target outcome is difficult to observe, multiple permissible proxy outcomes may be available; our framework accommodates both this setting and the case with a single permissible proxy. Throughout we use nonparametric hypothesis testing methods that make minimal assumptions on the data-generating process. We illustrate the method in an admissions setting, where the framework establishes discriminant validity with respect to gender but fails to establish discriminant validity with respect to race. This demonstrates how falsification can serve as an early validity check. We also provide analysis in a criminal justice setting, where we highlight the limitations of our framework and emphasize the need for complementary approaches to assess other aspects of construct validity and external validity.

Large language models (LLMs) act as digital twins for human respondents, yet their psychometric comparability remains uncertain. We propose a construct validity framework spanning construct representation and the nomothetic span, benchmarking models against human gold standards. Across studies, digital twins achieved high aggregate-level accuracy and profile correlations, but showed attenuated item-level correlations. In word association tests, LLM networks exhibited humanlike small-world structure and theory-consistent communities, yet diverged lexically and in local structure. In decision-making and contextualized tasks, they under-reproduced heuristic biases, demonstrating normative rationality, compressed variance, and limited temporal sensitivity. Feature-rich and trait relevant conditioning improved Big Five personality prediction and nomothetic-span alignment, but network invariance remained limited, with partial configural solutions and persistent loading differences. In cross-language free-text tasks in English and Chinese, feature-rich digital twins better approximated construct-level narrative content, but linguistic and idiographic differences persisted. These findings clarify that digital twins are most useful within validated boundaries, where the construct, task and level of inference align with evidence from human data.

Evaluating large language models (LLMs) typically requires thousands of benchmark items, making the process expensive, slow, and increasingly impractical at scale. Existing evaluation protocols rely on average accuracy over fixed item sets, treating all items as equally informative despite substantial variation in difficulty and discrimination. We introduce ATLAS, an adaptive testing framework based on Item Response Theory (IRT) that estimates model ability using Fisher information-guided item selection. ATLAS reduces the number of required items by up to 90% while maintaining measurement precision. For instance, it matches whole-bank ability estimates using only 41 items (0.157 MAE) on HellaSwag (5,600 items). We further reconstruct accuracy from ATLAS's ability estimates and find that reconstructed accuracies closely match raw accuracies across all five benchmarks, indicating that ability $θ$ preserves the global performance structure. At the same time, $θ$ provides finer discrimination within accuracy-equivalent models: among more than 3,000 evaluated models, 23-31% shift by more than 10 rank positions, and models with identical accuracies receive meaningfully different ability estimates. Code and calibrated item banks are available at https://github.com/Peiyu-Georgia-Li/ATLAS.git.

We examine whether human psychometric questionnaires can serve as reliable tools for characterizing and predicting LLM behavior in everyday user interactions. We analyze eight open-source LLMs by comparing their value and personality profiles derived from two different methods: Likert self-reports on established questionnaires (PVQ-40/21 and BFI-44/10) and generation probabilities over value-laden responses to everyday user queries. The two profiles diverge substantially. Within-construct item consistency, often cited as evidence of stable LLM dispositions, disappears in generation probabilities. We find that established questionnaire items contain explicit lexical cues that allow models to recognize the target construct and respond in alignment-consistent, socially desirable ways, whereas realistic user queries contain far less recognizable cues. In addition, demographic persona prompts shift models' responses to human questionnaires in ways consistent with real human patterns, but no such shifts appear in the generation setting, highlighting that human questionnaires overestimate LLMs' ability to faithfully reproduce expected psychological traits when role-playing demographic personas. Overall, our study indicates that questionnaire scores alone should not be treated as evidence of LLMs' response tendencies in realistic user interactions, and supports generation-probability profiling with ecologically valid items as a complementary behavioral measure.

Large Language Model (LLM) studies that use language responses elicited from depression assessments to predict scores on those same assessments often report near-perfect prediction of depression. We refer to these as "Mirror" evaluations and demonstrate an applied case of criterion contamination. N = 110 participants completed both structured diagnostic depression interviews (Mirror condition) and life history interviews ("Non-Mirror" condition). LLMs were prompted to predict depression scores in each condition. As expected, Mirror evaluations were near-perfect. However, Non-Mirror evaluations also displayed prediction sizes considered outstanding in psychology. Further, both Mirror and Non-Mirror predictions correlated with Patient Health Questionnaire-9 scores at similar sizes, suggesting the Mirror condition's advantage collapses when predicting an independent depression measurement. Topic modeling revealed differing depression-related themes across interview types. Mirror evaluations are better considered as reliability evaluations than as validity evaluations. Incorporating Non-Mirror approaches in LLM depression assessment may support more valid and clinically-relevant applications. Keywords: large language models, psychological assessment, psychopathology, depression, reliability, validity, criterion contamination

Personality assessment through situational judgment tests (SJTs) offers unique advantages over traditional Likert-type self-report scales, yet their development remains labor-intensive, time-consuming, and heavily dependent on subject matter experts. Recent advances in large language models (LLMs) have shown promise for automatic item generation (AIG). Building on these developments, the present study focuses on developing and evaluating a structured and generalizable framework for automatically generating personality SJTs, using GPT-4 and ChatGPT-5 as empirical examples. Three studies were conducted. Study 1 systematically compared the effects of prompt design and temperature settings on the content validity of LLM-generated items to develop an effective and stable LLM-based AIG approach for personality SJT. Results showed that optimized prompts and a temperature of 1.0 achieved the best balance of creativity and accuracy on GPT-4. Study 2 examined the cross-model generalizability and reproducibility of this automated SJT generation approach through multiple rounds. The results showed that the approach consistently produced reproducible and high-quality items on ChatGPT-5. Study 3 evaluated the psychometric properties of LLM-generated SJTs covering five facets of the Big Five personality traits. Results demonstrated satisfactory reliability and validity across most facets, though limitations were observed in the convergent validity of the compliance facet and certain aspects of criterion-related validity. These findings provide robust evidence that the proposed LLM-based AIG approach can produce culturally appropriate and psychometrically sound SJTs with efficiency comparable to or exceeding traditional methods.

Psychiatry research seeks to understand the manifestations of psychopathology in behavior, as measured in questionnaire data, by identifying a small number of latent factors that explain them. While factor analysis is the canonical tool for this purpose, the resulting factors may not be interpretable, and may also be subject to confounding variables. Moreover, missing data are common, and explicit imputation is often required. To overcome these limitations, we introduce Interpretability Constrained Questionnaire Factorization (ICQF), a non-negative matrix factorization method with regularization tailored for questionnaire data. Our method aims to promote factor interpretability and solution stability. We provide an optimization procedure with theoretical convergence guarantees, and an automated procedure to determine latent dimensionality accurately. We validate these procedures using realistic synthetic data. We demonstrate the effectiveness of our method in a widely used general-purpose questionnaire, in two independent datasets (the Healthy Brain Network and Adolescent Brain Cognitive Development studies). Specifically, we show that ICQF preserves diagnostic information across a range of disorders, outperforming competing methods for smaller dataset sizes, and improves interpretability, as assessed by our clinical research collaborators and co-authors. This suggests that the regularization in our method matches domain characteristics, in addition to satisfying qualitative desiderata.