Recovering compact explicit solutions from neural approximations is challenging when imperfect teacher data guide symbolic topology search and coefficient estimation. We present DeSyR, a decoupled symbolic recovery framework for differential equations. A physics-informed neural network guides repeated searches to construct candidate topologies with provisional constants. Once a topology is fixed, its coefficients are refined solely from the governing equation and prescribed constraints, followed by gated selection and verification. For linear fixed-topology parameterizations, we characterize teacher-error inheritance and show that finite-weight mixed data--physics fitting retains an $O(\beta^{-1})$ teacher-dependent contribution when the teacher error projects onto the model space. Under well-posedness, representability, zero-residual attainment, and discrete determinacy, physics-only refinement conditionally recovers exact coefficients; for nonlinear parameterizations, the corresponding guarantees are local. DeSyR is evaluated on 15 differential-equation problems across 18 configurations covering high-order, space--time, multidimensional, nonlinear, and coupled systems. A candidate-level audit yields a 99.23% convergence rate among free-parameter refits, while every selected refinement involving free coefficients converges. Configuration-level median refined relative $L_2$ errors are $2.31\times10^{-14}$ or lower. In same-topology comparisons, refinement reduces error by eight to fourteen orders of magnitude. These results show that an approximate neural teacher can guide topology discovery without imposing its error scale on final recovered coefficients, provided a target-capable topology is retained and physics-only refinement converges.
Pan-Cheng Niu, Jun Guo, Qiao-Lin He et al.· 0 citations
We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.
Antibody-specific language models pretrained via masked language modeling (MLM) learn representations that are critical for downstream sequence design and property prediction tasks. Yet, the corruption process itself is rarely leveraged as a source of inductive bias during pretraining. While preferentially masking complementarity-determining regions (CDRs) improves binding-related predictions, antibodies possess diverse biological priors over a variety of functions. Herein, we introduce function-aware masking, a family of pretraining algorithms that align mask placement with specific functional priors (e.g., from IMGT annotations or structure predictions) to shape the learned representation space. We show that these specialist masking strategies significantly improve performance on their respective objectives, yielding up to a 14% gain on structure-related tasks and up to a 5.9x improvement on CDR-related tasks. To further improve performance across multiple functional axes, we develop hybrid masking strategies that integrate multiple priors, balancing reconstruction over binding, structural, and biophysical objectives. Our results demonstrate that informed mask placement provides a parameter-free mechanism for imposing functional inductive biases in antibody language model training.
Ayan Goel, Thomas A. Walton, Amirali Aghazadeh· 0 citations
Accurate prediction of unsteady separated flows is challenging because the aerodynamic loads depend on nonlinear separation and vortex-shedding dynamics. Although high-fidelity CFD resolves these mechanisms, its cost limits repeated use in design and control. Standard field-level surrogate training, however, does not distinguish the flow regions that contribute most strongly to the aerodynamic loads. We introduce VATO (Vortex-Force-Aware Transformer Operator), which couples the Vortex Force Map (VFM) method to a geometry-aware neural operator through two complementary mechanisms. VATO-S adds training-only supervision of the local VFM force-contribution field, with no increase in model size or inference cost. VATO-A uses VFM contribution and sensitivity fields to prioritise force-relevant source locations for residual cross attention. The methods are evaluated on unsteady CFD data for double-edged-plate aerofoils over 54 trajectories from nine geometries. Over lead times of 1-20~ms, VATO-S reduces velocity, pressure, and vorticity errors by 10.4\%, 1.0\%, and 15.6\%, respectively, while VATO-A achieves reductions of 15.8\%, 7.5\%, and 31.2\%. VATO-S gives the lowest VFM-derived drag error, whereas VATO-A gives the lowest pressure-derived lift and drag errors. Over lead times extending 50\% beyond the training range, VATO-A retains a 26.9\% reduction in vorticity error and larger improvements in all four force readouts, despite reduced gains in velocity and pressure. These results show that force-aware operator learning can improve both flow-field prediction and aerodynamic functional accuracy in unsteady separated flows.
Xingxin Yang, Zhan Zhang, Yichen Li et al.· 0 citations
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This work studies hybrid quantum-classical neural networks for learning routing heuristics. Specifically, this paper asks whether small quantum neural networks can replace parameter-heavy modules inside a competitive attention-based routing model while maintaining solution quality. For the capacitated vehicle routing problem, encoder feed-forward replacement emerges as the most promising design: it reduces the number of model parameters by 56.6% while keeping the hybrid model close to the classical neural baseline at small and medium instance sizes, although the gap grows for larger instances. This work also compares to classical routing algorithms, which remain highly competitive and often superior on the fixed Euclidean test sets. Our results therefore do not indicate quantum advantage or solver dominance, but identify encoder feed-forward replacement as a viable hybrid-module compression strategy for neural combinatorial optimization.
Marcus Rolf Peter Ritt, Alexsandro Santos da Rosa J\'unior, Marcos Vinicius Reballo et al.· 0 citations
Machine learning interatomic potentials bridge the gap between quantum chemical precision and classical computational speed, enabling molecular dynamics simulations with first-principles accuracy. Their reliability is often improved through active learning, which iteratively expands the training set by identifying uncertain, out-of-distribution configurations. Existing uncertainty-quantification methods often involve a trade-off between computational cost and reliability, and generally cannot account for redundancy as an acquisition batch is assembled. Here, we introduce AdaptNTK, a single-model framework that measures uncertainty as a regularized Mahalanobis distance in empirical neural tangent kernel (NTK) feature space. With the NTK features fixed during acquisition, the uncertainty depends on the acquired configurations but not their reference labels. This allows the uncertainty to be updated recursively after each selection without retraining, reducing redundancy within an acquisition batch. On held-out rMD17 data, AdaptNTK achieves the highest mean correlations with force errors (Spearman 0.68, Pearson 0.71) and matches a three-member ensemble in error retention. In active learning experiments, AdaptNTK achieves the lowest force errors across rMD17 and Transition-1X, with particularly strong performance on transition-state configurations in Transition-1X. AdaptNTK provides a 2.6-fold speedup per Transition-1X cycle relative to the ensemble, providing efficient single-model uncertainty estimation with sequential updates for data-efficient active learning.
Recent Relational Deep Learning architectures have been proposed as foundation models for multi-table relational data, yet they impose constrained neighborhood budgets that force row truncation when an entity has many related records. We introduce Animus, a synthetic financial dataset in which predicting customer income requires aggregating up to tens of thousands of transactions. On the raw representation, three recently proposed models (RT, Griffin, RelGT) achieve $R^2 \le 0.18$; a single, routine, temporal pre-aggregation step recovers $R^2$ up to $0.65$. This questions whether current relational foundation models are ready for high-cardinality real-world data.
Denis Oliveira Correa, Francisco Galuppo Azevedo· 0 citations
Injecting frozen relational-encoder embeddings as soft tokens into a large language model (LLM) is a conceptually appealing fusion strategy: the encoder handles multi-table structure, the LLM handles language and reasoning, and no lossy text serialization is required. We test this hypothesis concretely by injecting embeddings from a frozen Relational Transformer (RT) into Qwen3.5-4B via a learned MLP projection and LoRA adaptation, trained first with supervised fine-tuning (SFT) on chain-of-thought reasoning traces and then with group-based reinforcement learning (GSPO). We evaluate across 10 binary classification tasks on 6 relational databases from RelBench, under four supervision regimes: single-task (ST), within-dataset (WD), cross-dataset (CD), and all-task (ALL). The hybrid model does not consistently outperform standalone RT: it is frequently below random, highly sensitive to serialization format and relational-token budget, and unstable under RL training. We report these negative results and analyze the failure modes, arguing that soft-token fusion requires stronger alignment objectives and schema-aware design before it can serve as a reliable route to relational prediction.
Francisco Galuppo Azevedo, Clarissa Lima Loures· 0 citations
Conventional federated learning (FL) relies on parameter averaging, which forces clients to be doubly homogeneous: it demands an identical architecture and degrades under non-IID data. Real-world deployments usually break both assumptions. We sidestep both by building a decentralized knowledge distillation framework in which each client evaluates its peers'model snapshots on its own local data and distills from the resulting soft predictions. Because knowledge is transferred through the shared class posterior, clients are free to run different architectures; and because every teacher is evaluated on the student's own device, raw data never leaves the client, with no central server or public dataset required. Within this setting, we identify and address an under-examined problem: how to combine the peer teacher predictions. Existing methods, like uniform averaging, ignore how knowledge reliability varies across teachers and classes. We propose Class-wise Reliability-Aware Distillation (CRAD), which, per class, first discards teachers that disagree with the peer consensus and then takes a weighted average of the rest, weighting each teacher by its per-class reliability (precision, or inverse variance). Since the variance of an accuracy from $n$ samples scales as $1/n$, support enters automatically: among the teachers that survive filtering, a teacher is trusted for a class to the degree that it is both accurate and well-evidenced for it. On three image-classification benchmarks (CIFAR-10, CIFAR-100, and PathMNIST colon pathology), across heterogeneous architectures under severe non-IID skew, CRAD consistently outperforms competing methods in global accuracy.
Baraa Bilbeisi, Mengchen Fan, Baocheng Geng et al.· 1 citation
Group relative policy optimization for reinforcement learning with verifiable rewards (RLVR) typically uses a fixed importance-sampling (IS) ratio clipping boundary across all rollouts. We identify a key limitation: rare correct rollouts on harder problems and abundant correct rollouts on easier problems are clipped at comparable rates, despite contributing very different learning signals. Rollouts with low group success exhibit larger IS ratios and carry stronger gradient signal for exploration and solving new problems, yet are disproportionately suppressed by fixed clipping. To address this, we propose Group Adaptive Clipping Policy Optimization (GAPO), a plug-in modification to GRPO methods that adapts the clipping boundary to the rollout advantage. GAPO is motivated by a reverse-KL trust-region perspective, which suggests that rollouts with larger learning signal should receive proportionally greater update headroom. GAPO requires no reward shaping and preserves the standard PPO/GSPO surrogate while adapting only the clipping threshold. Across Qwen and Llama models, GAPO consistently improves both Pass@1 and Pass@k over fixed clipping and advantage-shaping baselines on math reasoning and coding benchmarks where the pass rates by the base model are relatively low.
Sheng Jia, Xiao Wang, S. Kasiviswanathan et al.· 0 citations
The linear recurrent neural network (LRNN) is a simple model for studying how much memory a network builds up as it trains. For uncorrelated inputs, earlier work found that training itself settles the network between keeping the past and reacting only to the present. Real sequences are correlated, and we solve the learning dynamics exactly for correlated inputs. In the solution, keeping the past carries a cost. The whole effect of correlation lands on that cost. This cost reduces to the earlier one when inputs are uncorrelated and grows once they are positively correlated. Three findings follow. (1) Correlation reshapes the course of learning, not only its end. Memory builds, overshoots, and is partly removed, and the settled network keeps less of the past. (2) Memory switches off at a threshold set by one number, how much each input resembles the one just before it. Neither sequence length nor longer-range correlation moves this threshold. Memory is worth keeping only when the task needs the previous input more than the current input already supplies it through correlation with the past. (3) The best network changes too. Zero error demands a feedthrough, a path that passes the current input straight to the network's output and remembers nothing, and training builds it unprompted when given one spare hidden dimension. Our work turns one property of the input into a prediction of whether a network learns memory and explains why correlated data turns recurrent networks into change detectors.
This paper presents a multi-branch fusion framework for detecting and characterising the propagation of health misinformation in online social networks (OSNs). Grounded in the Elaboration Likelihood Model (ELM) and the Theory of Planned Behaviour (TPB), the model fuses transformer-based semantics with rhetorical cues, stance representations, and psychologically motivated proxies in a unified multi-task architecture. In addition to binary classification, we introduce the Cognitive Propagation Score (CPS), an interpretable post-hoc auxiliary score computed from psychologically motivated, text-derived cues capturing argument complexity, emotional intensity, and content-derived virality potential, to support diffusion-risk reasoning when engagement ground truth is incomplete or unavailable. Experiments on three benchmark datasets, Constraint, COVID--19\_FNIR, and Monkeypox, show strong classification performance, achieving ROC--AUC up to 0.9999 on COVID--19\_FNIR, while propagation-oriented ranking achieves near-perfect agreement when engagement-derived supervision is available (Monkeypox, Spearman's $\rho = 0.9952$) and similarly high ranking alignment under proxy-based supervision on COVID--19\_FNIR ($\rho = 0.9954$). Compared with representative literature baselines, the fusion model improves detection on Constraint and COVID--19\_FNIR, while Monkeypox remains more challenging, reflecting domain- and signal-specific differences. Ablation analysis further indicates that psychological and rhetorical branches provide complementary gains beyond semantic embeddings. Overall, the framework bridges cognitive theory and neural modelling to improve transparency and to support scalable misinformation monitoring, with future work required to validate CPS against human-centred diffusion judgements.
Mkululi Sikosana, Sean Maudsley-Barton, Oluwaseun Ajao· 0 citations
A weeklong summer workshop brought higher education faculty to campus to explore how AI and machine learning materials can be adapted for their classrooms.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
