This arguably belongs on https://superuser.com/ since it's not about programming, it's about overclocking, but maybe we can spin this into a question about [cpu-architecture] and how CPUs work.
SIMD instructions make more heat at the same voltage/frequency than scalar code; for example the Prime95 stress test is one of the most demanding for an overclock (near max throughput SIMD FMAs). It uses the mantissas of double-precision floats to do extended-precision integer math, because until AVX-512 IFMA, the double-precision mantissa multipliers are the highest-throughput way to do integer multiplies.
The higher the voltage, the more heat the CPU makes for the same amount of work. And at higher frequency, that work happens over less time, so also higher power.
Higher temperatures can slow down signal propagation and logic gate delay time in silicon, making the timing even tighter for having the right outputs ready for the next pipeline stage before the end of a clock cycle. This can lead to wrong computational results at high temperatures for a frequency/voltage that was stable at lower temperatures.
Some people claim their overclock is stable even if it sometimes fails (gets wrong answers or even locks up) when running Prime95. Those people are wrong. That's only stable for a limited subset of what a CPU is supposed to be able to do, like maybe they only care about some games which don't run that hot.
Also, if you're so close to the limit of stability that maybe 10 degrees C higher CPU temperature makes it start crashing or giving numerically wrong answers, there's probably a risk that you'll occasionally get problems like that at lower temperatures on other workloads that aren't quite as stressful.
Being stable with Prime95 or other very high-heat workloads gives you a lot more confidence that anything else you do with the CPU will give numerically correct results. For example, other workloads that involve heavy FP math, like matrix operations using Eigen which you tagged.
(Crashing when overclocked is often because integer math computed a wrong pointer. But I guess it could also be due to the out-of-order exec machinery itself getting errors and losing track of in-flight instructions. Maybe the critical path latencies in those parts of the CPU tend not to be so close to the cycle time, so less in danger of not getting all their work done in one clock cycle.)
Power supply voltages can dip when SIMD instructions suddenly start running, producing a huge spike in current demand; even if it doesn't last for long, this could maybe be enough to get a wrong answer. Some of this is related to why Intel CPUs cap their max turbo lower when "heavy" 256-bit or 512-bit SIMD instructions are running. Or even at the same frequency, might need to raise the voltage to give more headroom. See SIMD instructions lowering CPU frequency for how Intel does it.