AI-Driven Neural Surrogates for In Silico Design of Cognitive-Affective Neuromodulation Targets

Abstract: In neuropsychiatry, the primary goal is often not only to decode brain activity but to change it, for example to lessen a negative affective bias or an overly salient memory. Motivated by control theory, we develop an AI-driven neural-surrogate framework that proposes candidate representational changes and tests their predicted perceptual effects from snapshots of stimulus-evoked fMRI activity, without physical stimulation. The framework combines fMRI decoding, deep generative modeling, and constrained latent-space steering. Valence and memorability are used only as worked examples. Using more than 36,000 image-fMRI observations from four deeply sampled Natural Scenes Dataset participants, subject-specific models recovered coarse generative structure from visually responsive cortex (two-way identification, 0.79-0.88; chance, 0.5). Graded perturbations were reconstructed as images and evaluated with automated scorers and human ratings from 7,200 trials by 18 participants. In the primary VDVAE model, valence shifted from -0.61 to +1.03 SD and memorability from -1.34 to +1.45 SD; a later Versatile Diffusion refinement reduced or altered these effects. Across five perturbation levels, human valence ratings moved in the predicted direction under the linear time-correction model (mean slope, 0.038 SD per unit of alpha; 95 percent CI, 0.003-0.074; positive in 16 of 18 participants). Perceived memorability did not change reliably. Baseline agreement with the automated assessor was suggestive for valence (r = 0.30) and weak for memorability (r = 0.10). Extreme perturbations drifted from the original stimulus, so intended change must be weighed against loss of fidelity. These findings provide a falsifiable upstream method for designing and behaviorally testing candidate representational targets for future neuromodulation in psychiatry, while marking the limits of the present static approximation.